NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.0817 0.0000 0.0000 62.0586 33.5726 177.2320 3 L 3.9610 7.6427 117.9553 53.4054 42.2441 175.2789 4 K 4.1033 10.7800 127.2343 55.5527 33.9525 175.4208 5 P 4.2947 0.0000 0.0000 66.2558 31.2030 178.7883 6 E 4.0159 8.1356 116.6274 59.3553 29.1586 179.0322 7 E 4.0307 8.3045 118.8338 59.4423 29.4679 178.8741 8 H 4.2171 8.1728 118.0209 59.2095 30.0114 176.7820 9 E 3.9704 8.5087 121.2950 59.3090 29.5222 178.4286 10 D 4.3578 8.0871 118.9551 57.4379 40.8666 178.9535 11 I 3.7239 7.4027 119.9319 64.3820 36.9209 178.4460 12 L 3.9748 7.7663 118.7098 57.7923 41.6067 178.8603 13 N 4.4420 8.4863 117.3857 56.4332 39.0181 176.9069 14 K 3.9636 7.9930 120.9140 59.4203 32.1085 178.4729 15 L 4.1945 7.7712 117.4234 56.5196 41.6338 178.6055 16 L 4.2926 7.4005 120.1726 56.7419 42.2978 176.0042 17 D 4.4847 7.5834 118.7926 52.8106 40.5829 174.8197 18 P 4.3025 0.0000 0.0000 65.2329 31.3074 177.0175 19 E 4.2530 8.2568 117.0409 56.4427 29.8519 176.5193 20 L 3.9472 7.7790 121.7590 54.7039 42.7414 177.1305 21 A 4.1143 8.4969 126.9874 52.2268 20.2664 178.2719 22 Q 3.9012 8.7585 123.8030 59.4685 29.0981 179.3230 23 S 4.2327 8.0437 114.6464 61.4201 62.8723 176.3511 24 E 3.9136 7.9475 121.6030 59.1408 29.4151 178.9413 25 R 3.8672 8.1720 118.9167 59.7434 30.1667 178.5956 26 T 3.8407 8.3289 115.7794 66.5890 68.4797 176.0956 27 E 3.8964 8.3054 120.8942 59.2440 29.6877 178.5720 28 A 3.9853 8.2611 120.9793 55.3755 18.4596 179.5468 29 L 3.9580 7.9668 117.3107 58.0413 41.5662 179.8426 30 Q 4.0071 8.1801 117.9113 59.0621 28.5807 178.7564 31 Q 4.0269 8.2112 119.0015 59.1572 28.7310 179.1316 32 L 4.0456 8.0518 119.8298 57.6298 41.6169 179.6608 33 R 3.9138 8.1197 118.7378 59.4347 30.1321 178.6480 34 V 3.6298 8.1179 118.4397 66.1454 31.4951 177.4700 35 N 4.3691 8.5265 116.9859 56.8982 38.7172 176.2380 36 Y 4.1997 8.5420 121.3122 60.6198 39.0211 178.1329 37 G 3.6148 8.4699 106.8803 47.7986 0.0000 175.7442 38 S 4.1921 8.2811 115.5512 60.9085 62.3891 176.1113 39 F 4.2737 8.3217 123.6997 61.3366 39.0870 177.3742 40 V 3.5027 7.9271 118.1789 65.9493 31.1407 178.2598 41 S 4.1386 8.0275 114.5209 61.7422 62.7608 176.4818 42 E 3.9881 8.1687 120.8576 59.5425 29.1703 178.9000 43 Y 4.0843 8.3318 119.6842 60.7216 38.9740 177.6099 44 N 4.3156 8.6279 117.8408 56.3269 38.6122 177.2180 45 D 4.3273 8.3932 120.6369 57.2655 40.9966 178.5658 46 L 3.9410 7.9645 120.8464 58.4176 42.0871 179.1929 47 T 3.7358 7.7064 115.7516 66.1520 68.2007 177.0141 48 K 4.2079 7.9904 121.6780 58.9811 32.1545 179.6789 49 S 4.1359 8.0408 114.2795 61.2740 62.7804 176.0258 50 H 4.0866 8.1263 122.2698 59.2288 29.5385 177.0628 51 E 3.9710 8.1535 120.3938 59.1652 29.2174 179.2920 52 K 4.0300 8.2640 119.8456 59.4039 32.1996 178.9000 53 L 3.9223 8.1277 119.2173 57.7887 41.5743 179.3152 54 A 3.9130 8.2598 120.7736 55.0561 18.2510 179.6252 55 A 3.9145 7.9759 119.2253 55.3476 18.4114 179.7255 56 E 3.8968 8.3196 117.2402 59.2945 29.5347 179.4194 57 K 3.8727 8.2949 119.9085 59.7318 32.2274 178.4261 58 D 4.3783 8.0027 119.0001 57.5919 40.7604 178.4601 59 D 4.3646 8.1740 118.4364 57.1998 41.2257 178.2835 60 L 4.0645 8.1968 119.9174 57.5615 41.4709 179.4972 61 I 3.8127 7.8798 120.1204 64.0792 36.8740 178.4969 62 V 3.5646 7.6054 118.7869 66.0264 31.4168 177.9763 63 S 4.0413 8.0386 112.6433 61.6951 62.2566 175.9896 64 N 4.1910 8.7074 119.3295 56.0176 38.2891 177.3160 65 S 4.2578 8.4086 115.1445 61.3638 62.3721 176.5278 66 K 4.0014 7.8758 120.9774 59.3758 31.8365 179.2981 67 L 3.9111 7.8545 119.1681 57.8716 41.5316 179.5194 68 F 4.3898 8.2375 117.9237 60.9407 38.8134 178.0570 69 R 4.0001 8.0900 117.2162 59.0529 29.6171 178.9208 70 Q 3.9416 8.4830 119.8148 59.4511 29.0237 178.4108 71 I 3.8282 8.2985 121.3145 64.2136 36.8223 178.8402 72 G 3.6013 8.0177 105.8804 47.8043 0.0000 175.2984 73 L 4.1795 8.1327 122.7281 57.5893 41.5840 179.8299 74 T 3.8664 7.6113 109.2973 65.0325 68.5792 176.1026 75 E 4.0994 7.7574 119.4465 57.1876 29.4972 177.9975 76 K 4.2991 7.6204 118.5506 57.5466 32.8972 177.4357 77 Q 4.3126 8.2295 119.6126 57.9528 28.9681 176.1967 78 E 4.1836 7.9531 120.0794 56.0350 29.8965 181.7687 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 2 P 0.00 4.08 0.00 1.94 2.04 0.00 3.46 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.16 0.00 3 L 7.64 3.96 0.00 1.75 1.65 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 K 10.78 4.10 0.00 1.63 1.73 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.55 7.81 5 P 0.00 4.29 0.00 2.21 2.14 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 6 E 8.14 4.02 0.00 2.02 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 2.41 2.41 0.00 7 E 8.30 4.03 0.00 2.14 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 2.33 2.32 0.00 8 H 8.17 4.22 0.00 3.23 3.48 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.51 3.97 0.00 2.27 2.11 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 0.00 2.33 2.41 0.00 10 D 8.09 4.36 0.00 3.08 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 11 I 7.40 3.72 1.97 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 1.51 0.78 0.88 0.00 0.00 12 L 7.77 3.97 0.00 1.75 1.72 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.49 4.44 0.00 2.85 2.94 0.00 0.00 6.80 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 14 K 7.99 3.96 0.00 2.00 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 15 L 7.77 4.19 0.00 1.81 1.69 0.89 0.97 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 16 L 7.40 4.29 0.00 1.62 1.79 0.91 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.58 4.48 0.00 2.91 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.30 0.00 2.21 2.17 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 19 E 8.26 4.25 0.00 2.12 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 2.31 2.38 0.00 20 L 7.78 3.95 0.00 1.67 1.63 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.50 4.11 1.28 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 22 Q 8.76 3.90 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 23 S 8.04 4.23 0.00 4.08 4.11 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 0.00 0.00 0.00 0.00 24 E 7.95 3.91 0.00 2.14 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 2.40 2.30 0.00 25 R 8.17 3.87 0.00 1.86 2.06 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 26 T 8.33 3.84 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 1.21 0.00 0.00 27 E 8.31 3.90 0.00 2.26 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 0.00 2.31 2.38 0.00 28 A 8.26 3.99 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 29 L 7.97 3.96 0.00 2.02 1.73 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.18 4.01 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 31 Q 8.21 4.03 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 32 L 8.05 4.05 0.00 1.88 1.73 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.12 3.91 0.00 1.90 2.10 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 34 V 8.12 3.63 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 0.97 0.00 0.00 1.02 0.00 0.00 35 N 8.53 4.37 0.00 2.89 2.97 0.00 0.00 6.90 8.42 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 36 Y 8.54 4.20 0.00 3.32 3.02 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 37 G 8.47 3.61 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 0.00 0.00 0.00 38 S 8.28 4.19 0.00 3.98 4.10 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 0.00 0.00 0.00 0.00 39 F 8.32 4.27 0.00 3.20 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 40 V 7.93 3.50 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 1.09 0.00 0.00 0.53 0.00 0.00 41 S 8.03 4.14 0.00 4.12 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 42 E 8.17 3.99 0.00 2.30 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 2.34 2.43 0.00 43 Y 8.33 4.08 0.00 3.18 3.10 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 0.00 0.00 0.00 0.00 44 N 8.63 4.32 0.00 3.00 2.85 0.00 0.00 7.04 8.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.39 4.33 0.00 2.89 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 46 L 7.96 3.94 0.00 1.84 1.63 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.71 3.74 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 1.10 0.00 0.00 48 K 7.99 4.21 0.00 1.92 1.83 0.00 1.67 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.43 7.81 49 S 8.04 4.14 0.00 4.05 4.11 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 0.00 0.00 0.00 0.00 50 H 8.13 4.09 0.00 3.35 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.15 3.97 0.00 2.23 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 2.34 2.61 0.00 52 K 8.26 4.03 0.00 1.80 1.93 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 53 L 8.13 3.92 0.00 1.87 1.63 0.89 0.93 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 54 A 8.26 3.91 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 55 A 7.98 3.91 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 56 E 8.32 3.90 0.00 2.13 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 2.32 2.62 0.00 57 K 8.29 3.87 0.00 1.79 2.04 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 58 D 8.00 4.38 0.00 3.01 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 59 D 8.17 4.36 0.00 2.80 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 60 L 8.20 4.06 0.00 1.86 1.69 0.91 1.24 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 I 7.88 3.81 2.04 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 1.44 0.84 0.94 0.00 0.00 62 V 7.61 3.56 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 0.99 0.00 0.00 0.98 0.00 0.00 63 S 8.04 4.04 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.71 4.19 0.00 2.85 2.79 0.00 0.00 6.73 7.45 0.00 0.00 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 S 8.41 4.26 0.00 4.01 4.11 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 0.00 0.00 0.00 0.00 66 K 7.88 4.00 0.00 1.93 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.64 7.81 67 L 7.85 3.91 0.00 1.51 1.46 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.24 4.39 0.00 3.16 3.02 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 69 R 8.09 4.00 0.00 2.16 2.01 0.00 3.15 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 70 Q 8.48 3.94 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 71 I 8.30 3.83 2.15 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 1.62 0.81 0.98 0.00 0.00 72 G 8.02 3.60 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 0.00 73 L 8.13 4.18 0.00 1.70 1.76 0.93 0.96 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 74 T 7.61 3.87 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 1.23 0.00 0.00 75 E 7.76 4.10 0.00 1.94 2.06 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 2.36 2.66 0.00 76 K 7.62 4.30 0.00 1.87 2.00 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.46 7.81 77 Q 8.23 4.31 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 78 E 7.95 4.18 0.00 1.99 1.72 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 2.23 1.87 0.00