NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3444 0.0000 0.0000 61.7596 33.8551 176.0769 4 R 4.0565 7.7019 119.4894 54.3590 30.5124 174.6163 5 P 4.2324 0.0000 0.0000 65.8303 32.2139 178.4004 6 L 3.8139 7.8700 116.8872 57.4356 41.4387 179.2039 7 D 4.3355 7.9629 119.0483 57.4047 40.5741 178.8221 8 V 3.5606 7.6928 116.9069 65.7935 31.5069 177.2408 9 L 3.9937 7.1589 119.1956 57.5801 42.0070 177.9848 10 N 4.8138 8.2686 117.6596 56.3755 38.6223 175.9277 11 R 4.7065 7.8695 117.6675 56.4171 30.6966 176.9496 12 S 4.7085 7.5770 111.4052 57.8204 65.1582 174.5847 13 L 4.3060 7.8341 121.2180 55.8499 41.8581 177.8079 14 K 3.9342 8.9218 119.5722 57.1297 30.9556 175.5862 15 S 5.0441 7.5436 115.0952 55.7244 65.8896 172.0249 16 P 5.0019 0.0000 0.0000 63.3369 32.6508 175.4246 17 V 5.1138 8.9913 114.2896 60.3225 37.1892 173.6125 18 I 4.8293 8.7697 122.4000 59.6291 40.0939 175.2037 19 V 4.3579 9.1017 126.8891 61.0776 34.1833 174.0556 20 R 4.4492 7.7746 129.5533 55.2980 30.9628 175.8649 21 L 4.9238 8.4692 126.3574 52.7743 44.8997 175.7032 22 K 4.2416 8.6106 120.9711 57.0250 31.7763 177.3090 23 G 3.7112 10.2212 112.9190 45.1736 0.0000 174.4514 24 G 3.9859 7.8612 108.2513 44.9847 0.0000 174.1080 25 R 4.1900 7.8093 120.6718 56.5816 31.4037 175.4345 26 E 5.4076 9.2537 125.2063 54.7743 33.8038 174.6478 27 F 4.9945 8.9706 118.0454 56.2014 43.7292 174.2292 28 R 5.0440 8.3927 122.2114 54.8385 33.0046 175.4328 29 G 4.1123 8.3905 109.7880 46.4901 0.0000 171.2878 30 T 4.9242 8.6844 117.5009 61.6221 70.2340 174.4240 31 L 4.3682 8.7015 129.7840 56.0525 42.2728 176.3201 32 D 4.5778 9.1688 127.3939 55.5539 42.7728 176.0700 33 G 4.3866 7.5781 103.5277 44.7905 0.0000 170.7289 34 Y 5.7153 7.8007 115.5890 57.3909 39.9360 172.4040 35 D 4.8073 7.9005 118.6044 52.0274 42.4138 175.5611 36 I 3.7459 8.3898 111.2360 64.8120 37.6017 176.5751 37 H 4.4251 8.0542 115.6296 56.1847 28.6469 175.4172 38 M 3.3120 7.9655 117.8209 56.2522 31.0109 175.9597 39 N 4.8673 8.4697 114.3069 52.7831 39.9842 174.3012 40 L 5.4034 8.7507 121.4557 52.9504 46.6760 175.5028 41 V 4.8220 8.4739 119.8678 61.2693 34.3312 174.2548 42 L 5.3020 8.8490 127.4876 52.9357 45.1029 175.3345 43 L 5.1164 8.4647 121.7775 53.4264 44.8612 176.4757 44 D 4.4832 9.3374 122.6424 55.3020 38.6731 174.4019 45 A 4.4233 7.7981 120.9963 52.2429 19.9804 177.6142 46 E 4.6373 9.5390 124.4109 54.3691 31.3147 175.3090 47 E 3.5687 8.2276 127.2304 55.8971 31.0630 175.6758 48 I 5.0731 8.3225 126.4021 59.6166 41.5848 174.2122 49 Q 4.4824 8.6236 126.7438 55.0925 32.5775 174.3401 50 N 4.2986 9.6825 123.3372 54.6573 37.2800 174.5461 51 G 3.9845 8.6380 102.2182 44.7859 0.0000 173.5724 52 E 4.5671 7.7760 116.5937 53.7106 32.2685 175.6211 53 V 4.1543 8.1901 120.7957 63.0673 30.5931 175.6253 54 V 3.7885 8.2592 128.4066 65.5590 32.1046 175.4174 55 R 4.6824 7.5051 116.8937 55.0560 35.3201 174.1402 56 K 4.6158 8.4107 121.0381 56.3941 33.6114 175.2916 57 V 4.4296 8.8633 121.2044 59.7159 34.8473 176.8746 58 G 3.8729 8.6059 107.7350 47.9320 0.0000 173.9352 59 S 5.8231 7.6969 113.7622 57.3304 65.6154 173.9745 60 V 4.4946 8.4441 119.0953 59.6307 36.0151 174.5940 61 V 4.5709 8.4257 124.7054 61.4842 32.4792 174.6148 62 I 4.1501 8.2749 129.9970 59.9992 38.8439 176.0709 63 R 4.5565 8.4922 126.1623 55.6411 30.9904 178.0212 64 G 3.8169 10.5337 111.9708 47.9749 0.0000 175.0559 65 D 4.4646 8.2097 118.8202 56.8965 41.2365 176.9647 66 T 4.4168 7.7839 106.8792 61.0371 69.0668 173.7121 67 V 4.2024 7.8620 122.7530 62.4521 32.5363 175.4147 68 V 4.2717 8.5709 127.3428 64.4182 32.8474 175.2935 69 F 4.8636 7.1162 112.4557 56.3934 40.7638 172.7936 70 V 5.1969 8.6527 118.6484 61.3707 34.5825 174.5238 71 S 4.8134 9.1125 121.9355 55.8289 66.2061 171.6574 72 P 4.7290 0.0000 0.0000 62.8552 31.8867 176.2263 73 A 4.2695 8.5903 124.6352 52.4897 18.8225 177.0881 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 3 P 0.00 4.34 0.00 2.05 2.16 0.00 3.64 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 1.92 2.11 0.00 4 R 7.70 4.06 0.00 2.27 1.86 0.00 3.26 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 5 P 0.00 4.23 0.00 2.12 2.08 0.00 3.59 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 6 L 7.87 3.81 0.00 1.73 1.70 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.96 4.34 0.00 2.97 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 8 V 7.69 3.56 2.18 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 0.81 0.00 0.00 0.91 0.00 0.00 9 L 7.16 3.99 0.00 1.35 1.13 0.80 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.27 4.81 0.00 3.15 3.04 0.00 0.00 7.12 7.96 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 11 R 7.87 4.71 0.00 1.83 1.93 0.00 3.17 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 12 S 7.58 4.71 0.00 3.89 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 13 L 7.83 4.31 0.00 1.76 1.64 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.92 3.93 0.00 1.90 1.93 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 15 S 7.54 5.04 0.00 3.96 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 16 P 0.00 5.00 0.00 2.13 2.19 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 17 V 8.99 5.11 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 0.99 0.00 0.00 1.02 0.00 0.00 18 I 8.77 4.83 2.00 0.00 0.00 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 1.18 0.71 0.98 0.00 0.00 19 V 9.10 4.36 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 0.83 0.00 0.00 0.92 0.00 0.00 20 R 7.77 4.45 0.00 1.24 0.66 0.00 3.17 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 21 L 8.47 4.92 0.00 1.74 1.63 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.61 4.24 0.00 1.61 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 23 G 10.22 3.71 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 0.00 0.00 0.00 24 G 7.86 3.99 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 0.00 0.00 0.00 25 R 7.81 4.19 0.00 2.05 1.86 0.00 3.18 0.00 0.00 3.70 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 26 E 9.25 5.41 0.00 1.87 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 2.14 2.38 0.00 27 F 8.97 4.99 0.00 2.93 2.90 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 28 R 8.39 5.04 0.00 1.75 1.82 0.00 3.15 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 29 G 8.39 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 0.00 0.00 0.00 30 T 8.68 4.92 4.27 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 0.00 0.00 0.00 1.26 0.00 0.00 31 L 8.70 4.37 0.00 1.83 1.81 1.05 1.10 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 32 D 9.17 4.58 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 5.72 0.00 3.05 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 35 D 7.90 4.81 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.75 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.15 0.90 0.00 0.00 37 H 8.05 4.43 0.00 3.35 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 7.97 3.31 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 39 N 8.47 4.87 0.00 3.17 2.72 0.00 0.00 6.81 6.17 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 40 L 8.75 5.40 0.00 1.53 1.52 0.88 0.61 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 41 V 8.47 4.82 2.19 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 1.07 0.00 0.00 0.92 0.00 0.00 42 L 8.85 5.30 0.00 1.66 1.58 1.02 0.30 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 43 L 8.46 5.12 0.00 1.60 1.55 0.93 0.89 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 44 D 9.34 4.48 0.00 2.80 2.80 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 0.00 0.00 0.00 45 A 7.80 4.42 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.54 4.64 0.00 1.81 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 2.21 2.37 0.00 47 E 8.23 3.57 0.00 1.43 1.54 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 2.06 1.74 0.00 48 I 8.32 5.07 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.64 0.94 0.00 0.00 49 Q 8.62 4.48 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.12 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 50 N 9.68 4.30 0.00 2.86 2.87 0.00 0.00 7.24 7.98 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 51 G 8.64 3.98 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 0.00 0.00 0.00 52 E 7.78 4.57 0.00 2.07 1.99 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 2.33 2.17 0.00 53 V 8.19 4.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 54 V 8.26 3.79 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 0.75 0.00 0.00 0.94 0.00 0.00 55 R 7.51 4.68 0.00 1.65 1.73 0.00 3.17 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 56 K 8.41 4.62 0.00 1.66 1.64 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.53 7.81 57 V 8.86 4.43 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 0.79 0.00 0.00 1.11 0.00 0.00 58 G 8.61 3.87 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 0.00 0.00 0.00 59 S 7.70 5.82 0.00 3.86 3.71 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 60 V 8.44 4.49 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 0.86 0.00 0.00 0.96 0.00 0.00 61 V 8.43 4.57 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 0.78 0.00 0.00 0.92 0.00 0.00 62 I 8.27 4.15 1.70 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.32 0.69 0.00 0.00 63 R 8.49 4.56 0.00 1.80 1.82 0.00 3.27 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 64 G 10.53 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 65 D 8.21 4.46 0.00 2.63 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 66 T 7.78 4.42 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 1.19 0.00 0.00 67 V 7.86 4.20 2.16 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 0.72 0.00 0.00 0.91 0.00 0.00 68 V 8.57 4.27 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 1.02 0.00 0.00 0.97 0.00 0.00 69 F 7.12 4.86 0.00 3.07 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 70 V 8.65 5.20 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 0.88 0.00 0.00 0.92 0.00 0.00 71 S 9.11 4.81 0.00 3.93 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 72 P 0.00 4.73 0.00 2.11 2.11 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 73 A 8.59 4.27 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00