NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4371 8.3049 118.1860 55.2011 32.5235 174.2950 1 R 4.4157 7.9212 118.0886 53.0513 34.5863 172.8204 2 P 4.2039 0.0000 0.0000 62.6391 32.7873 177.5074 3 D 4.3971 8.5242 121.4099 57.0362 40.7691 178.8934 4 F 4.3451 7.9125 114.6607 59.6437 37.5854 177.7287 5 C 4.7201 7.5896 116.3084 58.9977 40.0428 174.6137 6 L 4.4067 7.7838 118.9076 53.8411 42.0828 176.3517 7 E 4.3522 7.5903 119.4665 54.7005 30.3308 174.9783 8 P 4.3994 0.0000 0.0000 61.4771 32.1186 174.3699 9 P 3.4883 0.0000 0.0000 62.8286 31.2397 175.1970 10 Y 4.6254 7.8472 121.3522 56.0779 40.4030 175.3438 11 T 4.1542 8.2736 125.3843 65.0110 68.8667 176.1011 12 G 3.7373 6.8248 105.0238 44.1106 0.0000 171.1684 13 P 4.3631 0.0000 0.0000 64.3076 31.9729 177.6189 14 C 4.5069 7.8354 116.8669 57.3307 40.7391 173.1221 15 M 4.4734 8.1991 119.2632 55.3734 32.0339 176.3810 16 A 4.3186 7.7006 121.6125 50.9355 21.1781 177.8038 17 R 4.7022 7.9764 117.0539 54.5732 29.4722 173.1404 18 I 4.4020 8.3006 122.3485 59.1652 39.7875 175.5072 19 I 4.2287 8.2884 128.3845 61.3071 37.6529 175.4440 20 R 4.8685 8.3646 124.9399 54.7144 35.0899 173.4978 21 Y 5.6353 9.4862 117.7524 56.5700 41.3024 175.3023 22 F 5.7450 9.5578 116.8936 55.4579 42.1157 172.7796 23 Y 4.4653 10.0705 122.6515 57.0374 40.2600 173.9421 24 N 4.7275 7.9704 125.7947 51.3304 38.7004 174.7580 25 A 3.9829 8.2094 129.2861 54.7111 18.7680 178.9461 26 K 4.0580 8.1168 114.7489 58.5762 32.2143 177.7937 27 A 4.3587 7.8286 119.5105 51.3205 20.5426 177.5825 28 G 4.0989 8.4115 103.3202 45.0614 0.0000 172.8262 29 L 4.9302 7.0345 118.1147 52.6859 46.1114 175.8759 30 C 4.8944 8.6737 118.0470 56.3888 39.5753 173.2862 31 Q 4.9055 8.5703 122.3649 54.1293 32.1946 174.7999 32 T 4.9070 8.3881 110.7672 61.3345 70.7595 173.5966 33 F 4.9871 8.8909 116.9679 56.0655 42.0668 172.8535 34 V 4.3449 8.3971 119.6993 61.9432 32.4462 174.1373 35 Y 4.7590 8.7913 130.1289 56.0747 40.3450 176.4725 36 G 3.7873 8.2756 113.4529 46.2993 0.0000 175.0512 37 G 3.7944 6.1527 107.4410 45.2665 0.0000 172.4808 38 C 5.0249 6.7264 111.3381 54.0956 44.6729 173.1292 39 R 3.8435 8.8641 116.3026 57.0310 27.1181 176.8429 40 A 4.2729 8.3847 119.1983 52.4998 18.9599 178.5611 41 K 4.3154 8.3250 121.0095 55.1243 33.7226 177.3603 42 R 3.5001 8.0013 117.9176 58.8202 30.4335 177.5280 43 N 4.8317 7.7441 118.0629 51.5510 37.5225 174.6139 44 N 5.1581 6.6809 116.6216 52.7589 41.6720 173.0489 45 F 5.0381 9.5770 124.7447 55.6181 42.4738 176.5098 46 K 4.4307 8.8486 121.7775 58.1463 32.8005 177.8206 47 S 4.4682 7.7610 112.8522 55.4672 67.2371 174.6055 48 A 3.3512 7.2856 124.7117 54.8435 18.0763 179.8256 49 E 3.7210 7.7589 117.4065 59.4944 29.6705 178.5290 50 D 4.2878 7.9207 118.8650 57.4649 40.8987 178.0247 51 C 2.0000 7.5399 118.4115 59.0942 43.7123 175.7272 52 L 3.8372 7.9020 120.7811 57.6950 40.9276 179.6142 53 R 3.9687 7.8554 116.9563 58.4833 30.0284 178.1151 54 T 4.3933 7.1060 114.3471 64.2136 69.8702 174.6150 55 C 4.5380 8.2577 115.6687 55.5474 42.0867 174.0297 56 G 3.8170 7.3411 109.3635 47.4189 0.0000 174.1714 57 G 3.8592 8.9067 112.1424 45.0583 0.0000 173.1004 58 A 4.0684 7.1914 127.3504 52.3921 18.2479 177.3751 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 0 M 8.30 4.44 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 1 R 7.92 4.42 0.00 1.66 1.56 0.00 3.38 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.65 0.00 2 P 0.00 4.20 0.00 0.55 1.55 0.00 3.22 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 3 D 8.52 4.40 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.91 4.35 0.00 3.21 3.34 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 5 C 7.59 4.72 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 6 L 7.78 4.41 0.00 1.75 1.75 0.94 1.16 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 7 E 7.59 4.35 0.00 2.17 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 2.42 2.44 0.00 8 P 0.00 4.40 0.00 2.07 2.01 0.00 3.78 0.00 0.00 3.72 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 9 P 0.00 3.49 0.00 0.89 0.49 0.00 3.25 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.00 10 Y 7.85 4.63 0.00 2.80 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.27 4.15 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 1.16 0.00 0.00 12 G 6.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.18 2.19 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.84 4.51 0.00 2.85 2.95 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 15 M 8.20 4.47 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 16 A 7.70 4.32 1.11 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 0.00 0.00 17 R 7.98 4.70 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.30 4.40 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.97 0.00 0.00 19 I 8.29 4.23 1.81 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 1.26 0.40 0.69 0.00 0.00 20 R 8.36 4.87 0.00 0.81 1.82 0.00 3.43 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 21 Y 9.49 5.64 0.00 3.17 3.03 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 0.00 0.00 0.00 22 F 9.56 5.74 0.00 3.08 2.87 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 0.00 0.00 0.00 0.00 23 Y 10.07 4.47 0.00 3.08 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 24 N 7.97 4.73 0.00 2.34 2.43 0.00 0.00 6.70 8.69 0.00 0.00 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 A 8.21 3.98 1.38 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 26 K 8.12 4.06 0.00 1.93 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.38 7.81 27 A 7.83 4.36 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.41 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 0.00 0.00 0.00 29 L 7.03 4.93 0.00 1.50 1.46 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.67 4.89 0.00 2.86 3.11 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 31 Q 8.57 4.91 0.00 1.40 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.14 1.91 0.00 32 T 8.39 4.91 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 0.79 0.00 0.00 33 F 8.89 4.99 0.00 3.03 3.18 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 0.00 34 V 8.40 4.34 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 0.70 0.00 0.00 0.90 0.00 0.00 35 Y 8.79 4.76 0.00 2.48 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 36 G 8.28 3.79 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 0.00 0.00 0.00 37 G 6.15 3.79 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 0.00 0.00 0.00 38 C 6.73 5.02 0.00 3.05 2.97 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 0.00 0.00 0.00 39 R 8.86 3.84 0.00 2.24 2.24 0.00 3.27 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.38 4.27 0.89 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 0.00 0.00 41 K 8.33 4.32 0.00 1.73 1.68 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.02 7.81 42 R 8.00 3.50 0.00 0.85 0.66 0.00 2.58 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.26 0.00 43 N 7.74 4.83 0.00 3.23 2.90 0.00 0.00 6.69 7.79 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 44 N 6.68 5.16 0.00 2.68 2.58 0.00 0.00 7.08 7.02 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 45 F 9.58 5.04 0.00 3.28 2.98 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 0.00 0.00 0.00 46 K 8.85 4.43 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.47 7.81 47 S 7.76 4.47 0.00 3.84 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 48 A 7.29 3.35 0.92 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 0.00 0.00 49 E 7.76 3.72 0.00 1.94 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 2.30 2.33 0.00 50 D 7.92 4.29 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.54 2.00 0.00 2.65 2.98 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 0.00 0.00 0.00 52 L 7.90 3.84 0.00 1.58 1.61 0.86 0.93 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 53 R 7.86 3.97 0.00 1.85 1.94 0.00 3.10 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 54 T 7.11 4.39 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 1.67 0.00 0.00 55 C 8.26 4.54 0.00 2.74 2.32 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 56 G 7.34 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 0.00 0.00 0.00 58 A 7.19 4.07 1.09 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 0.00 0.00 0.00