NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4214 8.0393 120.4454 62.0992 32.9332 173.9434 2 R 4.3539 8.3844 117.8729 55.4329 33.0802 171.6989 3 D 4.8324 8.5014 119.1404 52.4852 43.4342 177.5165 4 G 2.7773 6.2472 107.8818 45.8044 0.0000 171.3110 5 Y 5.1359 7.4520 117.2768 56.4279 37.6955 175.5275 6 I 3.9994 8.5335 125.2702 61.6017 39.0958 174.1912 7 A 5.2762 8.6524 130.4407 50.2658 21.3369 175.8287 8 L 4.6262 8.7656 121.3116 51.7351 43.9530 174.8583 9 P 4.4056 0.0000 0.0000 63.1617 31.9427 175.3033 10 H 4.6554 8.8048 117.9831 55.0926 30.4807 174.0387 11 N 4.4575 8.7776 123.6507 55.2071 37.0313 173.7855 12 C 4.9743 8.2787 112.9978 54.7831 42.8915 173.8277 13 A 4.8098 8.1424 125.3313 51.1080 20.4728 176.6309 14 Y 4.4536 8.1838 115.1599 56.8763 38.4839 176.0757 15 G 4.5383 8.7834 112.3346 46.7165 0.0000 170.4003 16 C 5.3037 8.5673 114.5184 54.3933 44.2254 173.5471 17 L 4.5099 8.8056 117.7349 54.3887 44.0465 177.2193 18 N 5.1658 7.8678 114.7980 50.4728 43.7426 174.8731 19 N 4.3922 8.8352 120.9338 56.3599 38.6799 177.1506 20 E 3.9018 8.2830 120.3447 59.4998 29.5513 178.1027 21 Y 4.2293 8.0172 118.6902 61.1778 38.8801 178.6259 22 C 3.7146 7.5880 116.6721 59.7771 40.6388 175.6924 23 N 4.0865 8.3994 119.0749 56.4773 38.4610 176.4987 24 N 4.1831 8.1644 118.4476 56.5244 38.9948 176.5319 25 L 3.7510 7.7970 121.9732 58.3058 42.1093 178.3961 26 C 4.2248 8.1104 116.7605 60.2405 41.2645 176.2889 27 T 3.9996 7.8922 112.9056 64.1862 68.1234 176.7187 28 K 3.9737 8.0525 120.4060 58.5571 32.0499 177.8903 29 D 4.7231 7.2664 115.8150 53.8801 41.0946 177.2211 30 G 3.8656 8.0458 108.3653 44.8819 0.0000 174.1096 31 A 4.5661 7.7545 122.3242 50.8130 19.1825 178.8221 32 K 3.8812 8.5299 121.3586 59.3864 32.5298 176.7488 33 I 4.2465 7.0420 115.8768 60.4229 41.1811 172.9353 34 G 4.4169 8.2859 111.9094 44.8705 0.0000 171.5921 35 Y 5.0591 8.9657 117.5867 56.3213 42.9152 174.1250 36 C 5.1695 9.6777 123.7831 55.7501 42.9614 172.3709 37 N 5.2526 8.8815 123.3380 50.6489 41.9880 174.3086 38 I 4.2706 8.3478 121.2491 61.5248 37.8290 177.0710 39 V 4.4236 8.5731 126.2992 60.9834 31.6899 173.1666 40 G 3.6969 8.1554 106.5164 45.0759 0.0000 172.9621 41 K 3.9079 8.8424 123.0957 57.9414 32.4623 178.1298 42 Y 3.8735 8.5142 121.7547 57.2196 36.5019 170.6230 43 G 3.9170 6.8044 111.4830 44.4742 0.0000 169.4632 44 N 5.5956 7.9323 118.2751 51.3231 42.9577 173.1002 45 A 5.2788 9.0932 121.8672 50.5982 23.8407 174.5545 46 C 5.0690 9.2395 117.3057 56.5265 42.4313 172.7517 47 W 4.9957 9.5308 134.7181 55.7645 32.7345 173.5959 48 C 5.1698 8.4408 124.8169 55.2594 43.9288 172.6822 49 I 4.5869 8.4000 123.5743 59.9886 38.8437 176.0728 50 Q 3.6239 9.0486 126.5709 56.7874 26.6721 173.7202 51 L 4.1172 7.9095 120.2714 53.7124 43.4090 174.4740 52 P 4.5869 0.0000 0.0000 62.7278 31.8403 176.8333 53 D 4.5669 8.4559 119.5580 55.7848 40.9446 177.0660 54 N 4.5141 7.9995 115.7303 53.3334 37.9831 174.7689 55 V 4.2828 7.4201 120.1609 60.0699 33.2192 173.3199 56 P 4.5826 0.0000 0.0000 62.9633 32.3826 175.2421 57 I 4.9412 8.0153 114.5941 58.6025 40.7432 174.9039 58 R 4.1789 8.8863 123.9423 56.6784 30.4693 175.9891 59 V 4.6162 8.1425 117.2551 58.3045 35.3972 173.6207 60 P 4.2313 0.0000 0.0000 63.5295 31.5417 175.6090 61 G 4.2473 8.5168 106.7763 43.1451 0.0000 173.6656 62 R 4.1247 7.9896 119.2711 55.4986 30.8605 177.0662 63 C 4.7229 8.3564 120.5517 56.3734 45.3523 172.3577 64 H 4.9705 9.1856 124.5453 53.0982 30.2375 172.2065 65 P 4.4329 0.0000 0.0000 64.2101 31.4804 176.3342 66 A 3.9942 8.6508 125.0102 52.6369 18.3995 177.2682 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 V 8.04 4.42 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 0.88 0.00 0.00 0.92 0.00 0.00 2 R 8.38 4.35 0.00 1.77 1.98 0.00 2.97 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.75 0.00 3 D 8.50 4.83 0.00 2.55 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.25 2.78 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 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.45 5.14 0.00 3.04 3.04 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 0.00 0.00 0.00 0.00 6 I 8.53 4.00 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.35 0.77 0.00 0.00 7 A 8.65 5.28 1.30 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 0.00 0.00 0.00 8 L 8.77 4.63 0.00 1.40 1.36 0.40 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.41 0.00 2.25 1.90 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 10 H 8.80 4.66 0.00 3.43 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.78 4.46 0.00 2.98 3.05 0.00 0.00 7.01 7.65 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 12 C 8.28 4.97 0.00 3.05 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 13 A 8.14 4.81 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 14 Y 8.18 4.45 0.00 2.96 3.05 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 0.00 15 G 8.78 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 0.00 0.00 0.00 0.00 16 C 8.57 5.30 0.00 3.17 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 4.51 0.00 1.63 1.73 0.92 0.93 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 18 N 7.87 5.17 0.00 2.78 2.70 0.00 0.00 7.17 6.92 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 19 N 8.84 4.39 0.00 2.79 2.92 0.00 0.00 6.65 7.66 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 20 E 8.28 3.90 0.00 2.05 2.01 0.00 0.00 0.00 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 2.40 0.00 21 Y 8.02 4.23 0.00 3.05 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 22 C 7.59 3.71 0.00 3.18 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 23 N 8.40 4.09 0.00 2.72 2.84 0.00 0.00 6.83 6.34 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 24 N 8.16 4.18 0.00 2.92 2.94 0.00 0.00 6.86 6.21 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 25 L 7.80 3.75 0.00 1.28 1.28 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.11 4.22 0.00 2.88 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 27 T 7.89 4.00 4.18 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 1.21 0.00 0.00 28 K 8.05 3.97 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.56 7.81 29 D 7.27 4.72 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 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 31 A 7.75 4.57 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 32 K 8.53 3.88 0.00 1.71 1.94 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.36 7.81 33 I 7.04 4.25 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.11 0.92 0.00 0.00 34 G 8.29 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.97 5.06 0.00 3.04 2.93 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 36 C 9.68 5.17 0.00 3.17 3.13 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 37 N 8.88 5.25 0.00 2.76 2.63 0.00 0.00 6.80 7.37 0.00 0.00 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 I 8.35 4.27 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.91 0.00 0.00 39 V 8.57 4.42 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 0.64 0.00 0.00 0.41 0.00 0.00 40 G 8.16 3.70 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 0.00 0.00 0.00 41 K 8.84 3.91 0.00 1.75 1.78 0.00 1.88 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 42 Y 8.51 3.87 0.00 2.95 3.10 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 43 G 6.80 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 44 N 7.93 5.60 0.00 2.89 2.81 0.00 0.00 6.67 7.67 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 45 A 9.09 5.28 1.26 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 0.00 0.00 0.00 46 C 9.24 5.07 0.00 2.93 2.93 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 47 W 9.53 5.00 0.00 3.12 2.89 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 48 C 8.44 5.17 0.00 2.58 2.74 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 49 I 8.40 4.59 1.90 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.29 1.01 0.00 0.00 50 Q 9.05 3.62 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 51 L 7.91 4.12 0.00 1.54 1.51 0.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.59 0.00 2.40 1.92 0.00 3.58 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 53 D 8.46 4.57 0.00 2.62 2.69 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 54 N 8.00 4.51 0.00 2.81 2.92 0.00 0.00 5.86 7.68 0.00 0.00 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 V 7.42 4.28 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 0.81 0.00 0.00 0.93 0.00 0.00 56 P 0.00 4.58 0.00 2.16 2.16 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 57 I 8.02 4.94 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.77 0.00 0.00 58 R 8.89 4.18 0.00 1.95 2.03 0.00 3.30 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 59 V 8.14 4.62 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 0.83 0.00 0.00 0.96 0.00 0.00 60 P 0.00 4.23 0.00 2.06 2.02 0.00 3.70 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 2.06 2.14 0.00 61 G 8.52 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 0.00 0.00 0.00 0.00 62 R 7.99 4.12 0.00 1.71 1.70 0.00 3.24 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 63 C 8.36 4.72 0.00 2.94 2.94 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 64 H 9.19 4.97 0.00 3.09 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.43 0.00 2.07 2.08 0.00 3.88 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 2.01 2.00 0.00 66 A 8.65 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00