NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2664 0.0000 0.0000 61.2641 33.4170 175.4613 17 S 3.4827 8.0684 112.3804 59.1440 60.5606 170.3514 18 R 4.1371 7.7859 119.9052 55.9989 32.6824 175.6879 19 K 3.7800 8.5282 117.9539 56.3022 30.8346 175.6991 20 A 4.4970 8.2004 119.9018 51.2737 20.5722 176.5403 21 K 4.6644 8.1056 118.3376 54.5877 33.5920 178.3140 22 V 3.4143 7.9652 123.6858 65.6824 31.6023 177.3821 23 K 4.3076 7.8204 119.2221 59.2116 32.4111 177.4249 24 A 4.1493 8.2539 120.0941 55.7889 18.7116 178.5956 25 T 4.2328 7.5933 112.9245 60.5099 66.8659 172.9504 26 L 4.3403 6.7819 123.8384 55.1716 45.1452 172.2683 27 G 4.3393 8.3211 110.4637 43.2878 0.0000 172.1951 28 E 3.9687 8.7169 120.3357 56.3418 29.9160 176.6068 29 F 4.9073 7.6961 119.5102 55.2202 41.1795 173.9775 30 D 4.5546 8.6421 121.5763 52.9947 39.9647 176.8346 31 L 4.4150 8.3731 125.8865 56.2545 41.6169 177.9349 32 R 4.3426 8.3399 118.2417 55.8836 30.9061 175.3531 33 D 4.3843 8.2000 118.4198 54.0719 40.1211 175.2716 34 Y 4.6471 7.8882 123.2999 57.2593 37.9077 176.4423 35 R 4.5295 7.3039 119.3155 56.5998 32.6681 177.2878 36 N 4.6580 7.6709 117.3233 52.8601 35.4880 174.9192 37 V 3.5963 7.8697 124.1007 65.5614 31.7110 176.8627 38 E 3.9670 8.0587 117.6228 58.9590 29.7893 178.7761 39 V 3.7997 7.5689 118.4034 64.0506 32.1121 178.1625 40 L 4.0484 8.0620 119.7191 57.6579 41.5546 179.1591 41 K 3.8877 7.9422 119.3826 60.0794 31.7723 178.4550 42 R 3.8227 7.4838 116.4550 58.8092 30.1937 178.0200 43 F 4.3951 8.5685 116.0571 56.9612 39.3048 175.4838 44 L 4.9152 7.1358 119.3492 53.4853 42.9459 178.1746 45 S 4.5154 8.6838 116.6792 58.0599 64.7083 173.5338 46 E 4.0208 8.7595 118.2095 60.1473 29.6781 177.5189 47 T 4.3163 7.6159 115.6127 62.6689 69.5160 174.8732 48 G 4.0743 8.4985 108.4659 46.0932 0.0000 173.8986 49 K 4.2726 7.7644 119.5717 55.7379 33.4478 176.5655 50 I 4.1843 8.2622 125.2061 60.9441 37.4195 176.1365 51 L 4.2707 8.4950 127.8064 54.2148 42.4481 175.7142 52 P 4.6022 0.0000 0.0000 61.9188 32.5726 177.7910 53 R 4.5110 8.5238 120.3008 59.1643 29.6350 179.3551 54 R 3.9797 8.0990 116.4336 58.8992 30.2218 178.0473 55 R 4.4400 7.7032 116.4608 58.0510 30.9257 178.5177 56 T 4.2408 8.8194 109.7219 62.5353 68.4994 175.7385 57 G 3.9037 7.8591 108.6646 46.3420 0.0000 173.5182 58 L 4.5939 7.8302 119.5472 53.3541 43.4869 176.5372 59 S 4.6643 9.1052 115.2431 57.0125 65.8462 175.1190 60 A 3.9326 8.3424 123.8619 55.2910 17.9917 179.7661 61 K 3.8227 8.0189 117.4857 59.7602 32.2097 178.4563 62 E 3.9478 8.4381 118.9552 59.5099 29.4742 178.7747 63 Q 3.8534 8.6374 119.7341 59.6440 28.5057 179.0367 64 R 3.8943 8.1527 119.3118 59.5101 30.0813 178.5892 65 I 3.8428 7.4571 119.7785 64.3267 37.0580 177.3613 66 L 3.8135 8.5439 122.6183 56.9931 41.7570 179.0503 67 A 3.8717 8.2775 120.1831 54.9302 18.4276 179.4815 68 K 3.8438 7.3990 115.7792 59.7910 32.2317 178.7354 69 T 4.0559 7.9549 109.8936 64.9923 68.6996 176.0038 70 I 3.6857 8.0319 123.8147 64.0990 37.2632 178.3841 71 K 3.8055 8.1183 118.7878 59.4629 31.7925 179.7074 72 R 3.7923 8.0640 118.1506 59.2493 30.0474 178.9094 73 A 4.1148 8.0010 119.9852 55.1120 17.9119 179.8160 74 R 4.2661 7.8465 118.0233 59.0923 29.8336 179.3826 75 I 4.0335 7.3731 117.7732 64.2632 37.1051 178.2328 76 L 4.2100 7.8585 119.5983 57.1597 41.5646 177.7745 77 G 4.1275 7.4964 103.5839 45.5109 0.0000 174.8963 78 L 4.1988 7.8989 119.1594 56.6683 42.3069 176.8948 79 L 4.8646 7.8599 117.7299 51.7897 45.4520 174.3248 80 P 4.8339 0.0000 0.0000 62.8998 32.1855 176.0139 81 F 4.3729 8.4884 117.0358 59.0305 40.3256 176.5759 82 T 4.3155 7.3481 109.8343 61.3993 69.6978 171.6264 83 E 4.7992 8.7509 126.7154 54.1459 32.8674 175.4375 84 K 4.2177 8.2762 119.6513 55.4775 32.9415 176.9321 85 L 4.0500 8.3980 125.6268 54.8831 42.2133 176.4405 86 V 3.8786 8.1718 126.0338 62.8983 32.5906 176.3191 87 R 3.9058 8.2072 125.5423 55.4501 29.7979 176.1935 88 K 4.0577 8.6739 116.7797 56.0454 32.3815 175.3012 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 16 P 0.00 4.27 0.00 2.20 2.24 0.00 3.89 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 1.89 1.96 0.00 17 S 8.07 3.48 0.00 4.09 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 18 R 7.79 4.14 0.00 1.84 1.90 0.00 3.46 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 19 K 8.53 3.78 0.00 1.85 1.98 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.46 7.81 20 A 8.20 4.50 1.23 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 0.00 0.00 21 K 8.11 4.66 0.00 1.88 1.76 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.58 7.81 22 V 7.97 3.41 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 -0.42 0.00 0.00 0.80 0.00 0.00 23 K 7.82 4.31 0.00 2.14 1.95 0.00 1.99 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.63 7.81 24 A 8.25 4.15 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 25 T 7.59 4.23 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 1.16 0.00 0.00 26 L 6.78 4.34 0.00 1.85 1.76 0.76 0.60 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 27 G 8.32 4.34 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 0.00 28 E 8.72 3.97 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 29 F 7.70 4.91 0.00 3.14 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 30 D 8.64 4.55 0.00 2.72 2.66 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 31 L 8.37 4.42 0.00 1.63 1.71 0.85 0.88 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 32 R 8.34 4.34 0.00 1.74 2.07 0.00 3.27 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 33 D 8.20 4.38 0.00 2.73 2.66 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 34 Y 7.89 4.65 0.00 3.11 3.06 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 35 R 7.30 4.53 0.00 1.65 1.90 0.00 3.16 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.04 0.00 36 N 7.67 4.66 0.00 2.95 2.72 0.00 0.00 6.63 7.41 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 37 V 7.87 3.60 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 1.06 0.00 0.00 1.00 0.00 0.00 38 E 8.06 3.97 0.00 1.95 1.96 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 2.30 2.29 0.00 39 V 7.57 3.80 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 0.82 0.00 0.00 0.57 0.00 0.00 40 L 8.06 4.05 0.00 1.77 1.79 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.94 3.89 0.00 1.87 1.95 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.51 7.81 42 R 7.48 3.82 0.00 1.78 1.45 0.00 3.07 0.00 0.00 3.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 43 F 8.57 4.40 0.00 3.19 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 44 L 7.14 4.92 0.00 1.74 1.59 0.90 0.99 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 45 S 8.68 4.52 0.00 3.94 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 46 E 8.76 4.02 0.00 1.96 2.05 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 2.31 2.38 0.00 47 T 7.62 4.32 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 1.26 0.00 0.00 48 G 8.50 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 0.00 0.00 0.00 0.00 49 K 7.76 4.27 0.00 1.77 1.75 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.44 7.81 50 I 8.26 4.18 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.92 0.00 0.00 51 L 8.49 4.27 0.00 1.72 1.67 0.96 1.11 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 52 P 0.00 4.60 0.00 2.20 1.98 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 53 R 8.52 4.51 0.00 1.83 2.01 0.00 3.60 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.55 0.00 54 R 8.10 3.98 0.00 1.77 2.03 0.00 3.24 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 55 R 7.70 4.44 0.00 1.95 1.97 0.00 3.29 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 56 T 8.82 4.24 4.54 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 1.58 0.00 0.00 57 G 7.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.83 4.59 0.00 1.67 1.64 0.71 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.11 4.66 0.00 3.98 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 60 A 8.34 3.93 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 61 K 8.02 3.82 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 8.44 3.95 0.00 2.22 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 2.28 2.29 0.00 63 Q 8.64 3.85 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 64 R 8.15 3.89 0.00 2.10 2.01 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 65 I 7.46 3.84 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.97 0.00 0.00 66 L 8.54 3.81 0.00 1.54 1.68 0.50 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.28 3.87 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 68 K 7.40 3.84 0.00 1.92 1.94 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 69 T 7.95 4.06 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 1.42 0.00 0.00 70 I 8.03 3.69 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 0.84 0.00 0.00 71 K 8.12 3.81 0.00 2.01 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.51 7.81 72 R 8.06 3.79 0.00 2.05 1.67 0.00 3.10 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.79 0.00 73 A 8.00 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 4.27 0.00 1.56 0.66 0.00 2.63 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 75 I 7.37 4.03 2.02 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 1.76 0.76 0.96 0.00 0.00 76 L 7.86 4.21 0.00 1.84 1.79 1.09 0.78 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 77 G 7.50 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 78 L 7.90 4.20 0.00 1.81 1.77 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.86 4.86 0.00 1.66 1.40 0.90 0.91 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 80 P 0.00 4.83 0.00 2.21 2.08 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 81 F 8.49 4.37 0.00 3.01 3.17 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 0.00 82 T 7.35 4.32 4.32 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 1.27 0.00 0.00 83 E 8.75 4.80 0.00 1.97 1.83 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 2.22 2.24 0.00 84 K 8.28 4.22 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 85 L 8.40 4.05 0.00 1.59 1.60 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.17 3.88 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 0.83 0.00 0.00 0.93 0.00 0.00 87 R 8.21 3.91 0.00 1.99 1.98 0.00 3.29 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 88 K 8.67 4.06 0.00 1.88 1.89 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.23 1.17 7.81