NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3396 0.0000 0.0000 62.7941 32.1565 177.6728 17 S 4.1585 8.5156 113.4893 57.6425 60.6814 171.1897 18 R 4.5173 8.7289 123.2504 54.2542 31.7676 175.6896 19 K 4.5144 8.2532 117.2255 57.0521 35.3841 176.0900 20 A 4.2834 7.3841 120.3733 52.1304 20.9594 178.1029 21 K 3.7343 7.7768 114.0241 56.2038 32.0851 175.6297 22 V 4.5568 7.4731 106.1288 62.9281 33.7880 175.6081 23 K 4.0058 8.2365 123.9216 59.0014 32.2092 177.7421 24 A 4.2356 7.8374 119.5040 53.7990 19.1119 178.5047 25 T 3.9270 7.6656 112.9362 65.7045 68.6374 174.0356 26 L 4.9868 7.4617 120.9455 52.6688 45.3621 177.4340 27 G 4.0208 8.7336 117.2918 45.4211 0.0000 174.4592 28 E 3.7939 8.2175 129.0510 55.6730 28.5649 175.8562 29 F 4.7674 8.5910 128.3474 56.1139 41.7121 173.7226 30 D 4.4649 7.9125 127.7921 52.9790 41.0538 175.4784 31 L 4.1156 8.3376 125.4121 55.3981 41.9383 178.5252 32 R 4.5311 7.5235 119.5023 54.5204 29.8576 174.1545 33 D 3.9394 6.6325 127.7202 52.4611 44.3096 175.8436 34 Y 5.6994 7.6103 124.2931 58.6803 36.6801 173.4438 35 R 4.3016 8.1522 116.1502 56.9881 30.5103 177.4084 36 N 5.0973 7.8522 118.9782 51.7253 36.3424 174.6352 37 V 3.5395 7.5960 120.6951 66.2360 31.8533 176.2840 38 E 3.9004 8.2168 116.9439 59.0921 28.9119 178.7522 39 V 3.9207 8.2189 117.9279 64.3542 32.8443 177.3945 40 L 4.6728 8.3793 118.7239 58.0272 41.3873 179.3391 41 K 4.0817 8.1100 115.5936 58.1606 32.1814 178.1304 42 R 4.0797 8.5329 118.5906 56.2116 30.7839 176.4545 43 F 4.8962 7.9887 116.4820 56.3286 42.4212 177.0850 44 L 4.3911 8.5775 120.9933 55.9464 40.5826 175.6546 45 S 5.1862 8.6414 113.6161 56.7821 59.0992 174.7483 46 E 4.6651 8.6604 118.3563 57.7036 32.6467 176.6624 47 T 4.9827 7.9862 114.5318 67.3809 68.8361 176.7884 48 G 4.4101 9.2699 109.6450 46.5991 0.0000 177.4245 49 K 4.2319 8.7021 129.7120 57.1046 30.7833 180.0174 50 I 4.3420 9.1011 117.2216 62.2688 39.9145 171.9297 51 L 3.5607 8.5448 120.7064 51.6658 41.6724 175.7533 52 P 4.6649 0.0000 0.0000 61.5746 32.5355 176.9925 53 R 3.9148 8.7829 115.8126 59.0363 29.7951 179.5145 54 R 3.8833 7.7503 115.6300 58.5147 30.7799 175.8823 55 R 4.6509 9.6094 114.2362 58.7937 35.8351 176.7163 56 T 4.1477 8.8593 106.3712 63.0440 69.2805 175.3159 57 G 3.9220 7.6271 104.9469 47.0070 0.0000 172.2027 58 L 4.4914 7.5706 125.4450 53.9060 44.9125 175.7427 59 S 3.8933 8.4035 119.2057 55.5543 65.1008 175.2081 60 G 3.8799 8.7316 107.2629 48.3744 0.0000 175.3089 61 K 3.8373 8.1510 121.6462 59.8686 32.0066 177.6049 62 E 3.9721 8.6133 118.7955 59.0714 29.1733 178.8699 63 Q 3.9443 8.1894 117.0230 59.4885 29.0992 179.9360 64 R 3.9067 8.1103 118.8901 59.3653 30.1972 179.2260 65 I 3.7522 7.9523 113.1357 63.5658 37.5862 177.7906 66 L 3.8694 8.1599 121.8392 59.4532 39.9510 178.5476 67 A 3.9075 8.5482 122.0648 54.1624 18.0292 180.2448 68 K 4.3784 8.5854 115.6907 59.0523 33.1238 178.8364 69 T 3.9052 8.4114 116.1247 67.3361 68.4192 177.2563 70 I 3.6748 7.9786 122.1447 65.0163 37.0137 177.3428 71 K 4.1213 8.8282 120.0783 58.2780 31.7044 179.5161 72 R 3.8314 8.7466 118.1432 59.6425 30.3335 178.6123 73 A 4.0101 8.6314 120.8927 55.4039 18.5314 179.7468 74 R 3.9466 8.4444 116.2021 60.1308 30.0064 178.2067 75 I 3.6459 8.0883 117.1441 64.7008 36.9486 177.5447 76 L 4.1211 7.8170 123.7972 61.0960 42.6840 177.6297 77 G 3.6928 9.0164 103.7452 45.1980 0.0000 171.9153 78 L 3.3450 8.1026 114.4204 53.9976 37.8313 174.8608 79 L 4.6846 7.7620 124.4124 54.2495 40.8319 172.1237 80 P 3.8321 0.0000 0.0000 63.5763 31.0129 177.1234 81 F 3.3913 8.8970 105.6365 58.4986 35.8059 172.2142 82 T 3.7683 8.3280 127.7135 61.0801 66.5637 171.0431 83 E 4.7944 8.0379 126.8704 53.8398 33.4199 175.3605 84 K 3.9683 8.4790 120.2051 56.8231 32.6117 175.5452 85 L 4.4890 8.3314 124.9429 53.2107 43.3899 175.6238 86 V 3.8839 8.6817 126.1604 62.3589 31.8167 172.9291 87 R 4.2370 9.6720 132.8938 57.0026 27.1160 173.8909 88 K 5.1944 6.7239 123.4256 55.4365 32.7892 174.6310 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 4.34 0.00 2.06 1.99 0.00 3.64 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 1.93 2.08 0.00 17 S 8.52 4.16 0.00 3.91 3.80 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 18 R 8.73 4.52 0.00 1.79 1.84 0.00 3.28 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 19 K 8.25 4.51 0.00 1.69 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81 20 A 7.38 4.28 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.78 3.73 0.00 1.82 1.77 0.00 1.88 0.00 0.00 0.61 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.52 7.81 22 V 7.47 4.56 1.88 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 0.93 0.00 0.00 0.94 0.00 0.00 23 K 8.24 4.01 0.00 1.74 1.84 0.00 1.98 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 A 7.84 4.24 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 25 T 7.67 3.93 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 1.10 0.00 0.00 26 L 7.46 4.99 0.00 1.45 1.34 0.97 1.22 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 27 G 8.73 4.02 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 0.00 0.00 0.00 28 E 8.22 3.79 0.00 1.98 1.95 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 2.32 2.32 0.00 29 F 8.59 4.77 0.00 3.14 2.96 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 30 D 7.91 4.46 0.00 2.48 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 0.00 0.00 0.00 0.00 31 L 8.34 4.12 0.00 1.60 1.63 1.08 1.01 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 32 R 7.52 4.53 0.00 2.14 1.77 0.00 3.26 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 33 D 6.63 3.94 0.00 2.21 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 0.00 0.00 0.00 34 Y 7.61 5.70 0.00 3.15 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 35 R 8.15 4.30 0.00 2.10 2.14 0.00 3.34 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.36 0.00 36 N 7.85 5.10 0.00 2.86 2.91 0.00 0.00 6.95 7.56 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 37 V 7.60 3.54 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 1.13 0.00 0.00 1.05 0.00 0.00 38 E 8.22 3.90 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.39 0.00 39 V 8.22 3.92 2.65 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 0.45 0.00 0.00 1.06 0.00 0.00 40 L 8.38 4.67 0.00 1.95 1.90 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.11 4.08 0.00 1.78 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.58 7.81 42 R 8.53 4.08 0.00 0.67 1.23 0.00 2.90 0.00 0.00 2.81 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 43 F 7.99 4.90 0.00 3.12 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 44 L 8.58 4.39 0.00 1.79 1.59 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.64 5.19 0.00 4.12 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.67 0.00 2.06 1.78 0.00 0.00 0.00 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 2.34 0.00 47 T 7.99 4.98 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 G 9.27 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 0.00 0.00 0.00 0.00 49 K 8.70 4.23 0.00 1.77 1.44 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.54 7.81 50 I 9.10 4.34 1.91 0.00 0.00 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 1.48 0.28 0.94 0.00 0.00 51 L 8.54 3.56 0.00 1.85 1.64 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.66 0.00 2.23 2.22 0.00 3.74 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 2.08 2.00 0.00 53 R 8.78 3.91 0.00 1.87 2.06 0.00 3.61 0.00 0.00 3.56 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 54 R 7.75 3.88 0.00 1.76 1.98 0.00 3.27 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 55 R 9.61 4.65 0.00 1.96 1.88 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 56 T 8.86 4.15 4.40 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 1.49 0.00 0.00 57 G 7.63 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 0.00 0.00 0.00 58 L 7.57 4.49 0.00 2.01 1.55 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.40 3.89 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.73 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 0.00 0.00 0.00 61 K 8.15 3.84 0.00 1.87 1.85 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.63 7.81 62 E 8.61 3.97 0.00 2.25 1.87 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 2.35 2.42 0.00 63 Q 8.19 3.94 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 64 R 8.11 3.91 0.00 1.97 1.97 0.00 3.12 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 65 I 7.95 3.75 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.80 0.90 0.00 0.00 66 L 8.16 3.87 0.00 1.72 1.90 0.82 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.55 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 68 K 8.59 4.38 0.00 1.90 2.00 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 69 T 8.41 3.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 70 I 7.98 3.67 1.96 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 1.48 0.98 0.98 0.00 0.00 71 K 8.83 4.12 0.00 2.04 1.77 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 72 R 8.75 3.83 0.00 2.01 2.02 0.00 3.19 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 73 A 8.63 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.95 0.00 2.27 2.50 0.00 3.72 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 75 I 8.09 3.65 2.10 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 1.56 0.65 0.91 0.00 0.00 76 L 7.82 4.12 0.00 1.54 1.69 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 77 G 9.02 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.10 3.35 0.00 1.82 1.78 0.92 0.87 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 7.76 4.68 0.00 1.83 1.87 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 3.83 0.00 2.26 2.21 0.00 3.41 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 81 F 8.90 3.39 0.00 3.01 3.38 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 82 T 8.33 3.77 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 1.30 0.00 0.00 83 E 8.04 4.79 0.00 2.08 1.78 0.00 0.00 0.00 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 2.37 0.00 84 K 8.48 3.97 0.00 1.75 1.80 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.44 7.81 85 L 8.33 4.49 0.00 1.58 1.56 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.68 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 9.67 4.24 0.00 1.90 2.11 0.00 3.30 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.00 88 K 6.72 5.19 0.00 1.80 1.77 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.49 7.81