NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4316 0.0000 0.0000 62.4847 33.4899 174.7334 2 Y 4.6364 8.7917 121.9379 55.5094 39.7111 169.7311 3 V 4.4301 9.9244 126.9085 61.4106 34.3549 173.9781 4 T 5.1127 8.7402 124.5928 61.9388 70.6213 173.8038 5 V 4.2265 9.0987 127.7436 61.1469 33.4567 174.1942 6 K 5.1070 8.6321 130.4201 55.0715 33.4007 174.9733 7 M 4.8394 8.7385 123.9628 53.3885 35.2436 174.4242 8 L 4.5644 8.2895 119.0373 54.5606 42.5132 177.1899 9 E 4.0856 8.5575 121.3895 57.2008 29.7565 176.3518 10 G 3.5809 8.7803 110.1424 45.6347 0.0000 174.6866 11 R 4.4531 7.6581 119.5898 55.5399 31.4364 176.9018 12 T 4.2671 8.6188 112.0415 61.2513 71.1934 175.5269 13 D 4.3596 8.5311 120.4140 57.4180 41.2025 178.2717 14 E 3.9895 8.0886 118.9131 59.4695 29.4853 179.0703 15 Q 4.0269 8.0550 117.9432 58.7937 28.7025 179.0257 16 K 3.9673 8.0263 119.5790 59.3337 32.0744 179.3863 17 R 3.8784 8.0634 119.0114 59.4928 29.9323 178.3713 18 N 4.3110 8.2997 116.3377 56.0245 38.4524 176.9396 19 L 3.9041 8.1368 122.0735 58.2828 42.1802 179.1677 20 V 3.6044 7.8619 120.3485 66.7276 31.4496 178.1856 21 E 3.9443 8.0840 117.8168 61.1784 29.5003 180.8812 22 K 4.1097 8.3561 119.6788 59.3420 32.2307 179.7187 23 V 3.5661 8.1140 118.6957 66.2988 31.4365 178.1447 24 T 3.8247 7.9329 115.4787 66.6151 68.2919 176.2602 25 E 3.8937 8.3493 120.9942 59.1183 29.8260 178.6380 26 A 3.9905 8.3038 121.2578 55.1283 18.4481 179.8569 27 V 3.5993 7.8802 116.7157 65.9173 31.3536 178.0919 28 K 4.0196 8.1452 119.7066 59.3579 31.8862 177.8423 29 E 4.3822 8.1053 114.8015 57.4126 30.0815 177.3167 30 T 4.5415 7.4929 108.2095 61.6681 70.4356 174.9668 31 T 4.5598 7.6993 110.0968 60.3089 69.9397 174.6153 32 G 3.8240 7.6163 107.8105 46.1450 0.0000 173.5246 33 A 4.2169 7.3932 121.4778 51.0014 19.3962 178.5361 34 S 4.2411 8.3646 116.4226 57.8251 63.7225 174.5252 35 E 3.8714 8.9778 127.6010 59.4616 29.3165 178.3743 36 E 4.2264 8.0971 112.4470 57.2331 29.7231 176.9198 37 K 4.2251 7.8017 118.2167 56.4498 33.0713 175.9032 38 I 4.2471 7.3133 120.7169 59.9600 37.9810 175.2867 39 V 4.1705 8.1672 127.8192 60.7943 33.9837 174.4657 40 V 4.7471 7.9140 126.2035 61.0252 34.2695 174.2823 41 F 5.0479 9.6720 126.6538 55.7548 41.9971 174.2053 42 I 4.9455 8.5609 123.5086 59.6043 39.4124 174.7023 43 E 4.6726 9.2828 126.8079 54.6019 32.1943 174.9160 44 E 5.0165 8.8608 124.4077 55.6551 31.1885 175.6429 45 M 4.7283 8.9617 123.3090 53.6812 35.1993 175.4282 46 R 4.7732 8.3124 120.4785 54.5848 31.7763 177.9722 47 K 4.0186 8.6624 121.0671 59.5113 32.2301 178.0919 48 D 5.0210 7.9174 114.8373 53.3904 39.6034 176.0644 49 H 5.0368 8.4387 115.4505 55.5916 30.0557 172.4977 50 Y 4.9261 8.0002 119.7524 55.7940 41.3025 174.1136 51 A 4.8673 8.1683 128.3116 50.2823 22.7582 175.0353 52 V 4.1584 7.6998 118.4078 62.0915 34.5281 175.5399 53 A 3.7434 9.5584 128.1009 53.3572 15.9039 178.2065 54 G 3.8456 8.6372 108.0361 47.5432 0.0000 174.8919 55 K 4.5291 7.7219 121.7078 52.0806 34.4970 180.9105 56 R 4.4718 8.3743 123.5734 54.9521 31.0290 177.9947 57 L 3.9834 8.8533 122.3378 57.7729 41.8746 179.6685 58 S 4.2974 8.1231 112.2452 60.2051 63.2658 174.8378 59 D 4.8577 8.1549 120.2005 54.2330 40.8223 175.5278 60 M 4.6365 7.4685 121.1985 53.5084 34.7844 176.5161 61 E 4.1734 8.5793 114.6098 56.4617 29.8512 176.2437 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 1 P 0.00 4.43 0.00 2.00 2.02 0.00 3.48 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 2 Y 8.79 4.64 0.00 3.06 3.23 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 3 V 9.92 4.43 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 0.99 0.00 0.00 0.92 0.00 0.00 4 T 8.74 5.11 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 1.28 0.00 0.00 5 V 9.10 4.23 2.10 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 1.00 0.00 0.00 0.95 0.00 0.00 6 K 8.63 5.11 0.00 1.77 1.65 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.35 7.81 7 M 8.74 4.84 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 8 L 8.29 4.56 0.00 1.53 1.63 1.00 0.97 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 9 E 8.56 4.09 0.00 1.86 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 0.00 2.34 2.53 0.00 10 G 8.78 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.45 0.00 1.79 1.86 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 12 T 8.62 4.27 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 1.21 0.00 0.00 13 D 8.53 4.36 0.00 2.81 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 14 E 8.09 3.99 0.00 2.09 1.97 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 2.40 2.45 0.00 15 Q 8.06 4.03 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 8.03 3.97 0.00 2.02 1.85 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.63 7.81 17 R 8.06 3.88 0.00 1.88 2.08 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 18 N 8.30 4.31 0.00 2.91 2.84 0.00 0.00 6.67 6.35 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 19 L 8.14 3.90 0.00 1.82 1.93 0.92 1.14 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 20 V 7.86 3.60 2.21 0.00 0.00 0.00 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 0.95 0.00 0.00 21 E 8.08 3.94 0.00 2.04 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 2.25 2.23 0.00 22 K 8.36 4.11 0.00 1.95 1.88 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 23 V 8.11 3.57 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 1.01 0.00 0.00 0.97 0.00 0.00 24 T 7.93 3.82 4.38 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 1.15 0.00 0.00 25 E 8.35 3.89 0.00 2.07 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 2.29 2.35 0.00 26 A 8.30 3.99 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 27 V 7.88 3.60 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 0.95 0.00 0.00 0.93 0.00 0.00 28 K 8.15 4.02 0.00 1.91 1.93 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.59 7.81 29 E 8.11 4.38 0.00 2.17 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 2.56 2.30 0.00 30 T 7.49 4.54 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 T 7.70 4.56 4.24 0.00 0.00 0.00 0.00 0.00 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 32 G 7.62 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 33 A 7.39 4.22 1.22 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 0.00 0.00 0.00 34 S 8.36 4.24 0.00 3.85 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 35 E 8.98 3.87 0.00 2.01 1.91 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 2.34 2.28 0.00 36 E 8.10 4.23 0.00 2.08 2.02 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 2.24 2.25 0.00 37 K 7.80 4.23 0.00 1.85 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.49 7.81 38 I 7.31 4.25 1.77 0.00 0.00 0.81 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 0.62 0.80 0.00 0.00 39 V 8.17 4.17 1.56 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 0.31 0.00 0.00 0.69 0.00 0.00 40 V 7.91 4.75 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 0.90 0.00 0.00 0.84 0.00 0.00 41 F 9.67 5.05 0.00 3.06 2.88 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 42 I 8.56 4.95 1.91 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 1.36 0.60 0.93 0.00 0.00 43 E 9.28 4.67 0.00 1.85 1.82 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 2.20 2.27 0.00 44 E 8.86 5.02 0.00 1.84 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 2.25 2.33 0.00 45 M 8.96 4.73 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 46 R 8.31 4.77 0.00 1.76 1.92 0.00 3.10 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 47 K 8.66 4.02 0.00 1.84 1.99 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.47 7.81 48 D 7.92 5.02 0.00 2.80 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 49 H 8.44 5.04 0.00 3.27 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.00 4.93 0.00 2.95 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 51 A 8.17 4.87 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.70 4.16 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 0.91 0.00 0.00 0.59 0.00 0.00 53 A 9.56 3.74 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.64 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.72 4.53 0.00 1.66 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.23 7.81 56 R 8.37 4.47 0.00 1.86 1.88 0.00 3.24 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 57 L 8.85 3.98 0.00 1.93 1.78 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.12 4.30 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 59 D 8.15 4.86 0.00 2.80 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 60 M 7.47 4.64 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 61 E 8.58 4.17 0.00 1.98 1.73 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 2.23 1.88 0.00