NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2789 8.0333 117.3227 63.6603 70.9649 172.9176 2 M 4.5183 8.9953 125.2406 54.4524 32.6040 173.2448 3 C 5.1911 9.6387 122.6064 54.7903 42.7602 172.8025 4 Y 5.1956 8.6494 117.1415 58.2118 39.4231 175.1775 5 S 4.7899 8.6141 115.5614 57.0733 66.4927 172.8155 6 H 4.6781 8.0182 122.0276 56.4154 32.0331 172.7043 7 T 5.0448 8.6189 109.7324 60.1082 70.9156 173.7670 8 T 4.1132 8.5860 110.1000 64.3445 69.0981 174.9914 9 T 4.6449 7.8838 111.5530 60.8936 69.1273 173.5504 10 S 4.7650 7.8080 114.7096 56.6341 66.1229 173.5406 11 R 4.0348 8.3613 118.0075 55.3544 30.2263 176.1537 12 A 4.4593 8.3298 123.0900 52.4831 18.9622 176.6020 13 I 4.8262 8.6791 115.0085 58.8734 41.6686 174.7406 14 L 4.8506 8.5306 122.2930 55.1400 42.6857 176.2098 15 T 4.5673 8.9197 115.3107 61.0222 71.5498 172.2809 16 N 5.0664 8.6022 125.3506 52.6136 38.6537 175.1582 17 C 4.3503 9.5907 125.9501 56.8011 40.9028 176.2083 18 G 3.8054 7.9855 105.6502 46.5287 0.0000 176.1329 19 E 4.1213 8.7691 122.8263 58.0601 29.7283 176.5121 20 N 4.5789 7.9179 115.8168 53.0548 39.4341 174.1039 21 S 4.7789 8.2189 114.3072 57.7686 66.3881 172.9773 22 C 5.6954 8.9268 116.3022 55.6682 38.6702 172.6692 23 Y 5.4445 8.5986 116.9151 55.9002 41.9585 174.5416 24 R 4.5511 9.0044 119.8255 54.6923 32.9937 173.5483 25 K 5.0229 9.7851 128.0132 55.6590 33.7069 176.5733 26 S 5.0886 8.9487 118.9314 56.3797 67.3865 172.8438 27 R 4.4491 8.3744 120.8694 56.2662 29.9084 176.1539 28 R 3.9957 8.7684 127.8993 59.6488 30.0799 176.4690 29 H 4.8831 7.8544 114.2607 53.0717 30.6347 173.2767 30 P 4.5034 0.0000 0.0000 62.2400 31.6356 174.5506 31 P 4.3407 0.0000 0.0000 62.7907 32.3206 177.5579 32 K 4.4952 8.2773 124.7112 55.4660 31.4519 177.2138 33 M 4.1213 7.5972 119.5327 55.7611 33.6111 177.7919 34 V 4.0588 8.3517 123.5330 63.0594 31.8372 175.5291 35 L 4.5539 9.5058 127.7041 53.9448 42.9692 176.9649 36 G 4.3729 7.1242 111.7575 46.1856 0.0000 171.6682 37 R 4.8045 6.9448 118.7021 52.6194 35.1054 175.6525 38 G 3.8740 6.3882 104.8945 46.3875 0.0000 172.4676 39 C 4.9517 8.7896 117.2711 56.7575 41.7908 173.8072 40 G 3.9075 9.9989 109.7809 45.2296 0.0000 173.2415 41 C 4.8017 7.9352 117.0375 53.9212 43.6587 171.3594 42 P 4.5659 0.0000 0.0000 60.4090 32.3264 175.2829 43 P 4.4031 0.0000 0.0000 62.8854 32.3212 176.6959 44 G 4.2985 7.8336 109.3493 45.7154 0.0000 170.1834 45 D 4.4587 8.6468 118.5497 54.0881 44.7929 176.3244 46 D 4.4067 9.3258 119.2433 57.4901 40.9125 177.6615 47 N 4.6381 8.1027 114.0225 53.2381 39.7173 173.8782 48 L 5.0286 7.5014 119.1403 52.9766 43.8935 174.9204 49 E 4.7491 8.9274 126.1205 54.5337 31.5946 174.6906 50 V 4.9086 8.3996 126.0846 61.0337 34.2648 174.3776 51 K 4.6935 8.8750 127.0622 54.9291 34.6245 174.9632 52 C 6.0041 8.8383 121.7064 55.1857 44.6671 171.1560 53 C 4.7415 8.3168 113.6182 56.2205 43.9438 173.2011 54 T 4.5733 8.6375 107.5665 62.8928 73.4449 175.1113 55 S 4.1047 8.0331 117.9682 60.5301 63.5118 175.2679 56 P 3.8606 0.0000 0.0000 64.4593 31.3177 172.1281 57 D 4.2051 7.8624 124.7704 54.9411 40.1196 172.7523 58 K 3.7616 8.3898 126.7475 56.8669 31.2706 174.9912 59 C 4.4994 8.0615 114.4245 57.4846 42.0856 174.8294 60 N 4.4772 8.1564 114.0760 53.5650 36.6674 174.1645 61 Y 4.3334 8.0941 125.9119 58.3672 38.8384 175.1847 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 T 8.03 4.28 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 1.29 0.00 0.00 2 M 9.00 4.52 0.00 1.84 2.29 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 3 C 9.64 5.19 0.00 2.78 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.65 5.20 0.00 3.06 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 5 S 8.61 4.79 0.00 3.86 3.67 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 6 H 8.02 4.68 0.00 3.44 3.39 0.00 5.45 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.62 5.04 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 1.24 0.00 0.00 8 T 8.59 4.11 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 1.27 0.00 0.00 9 T 7.88 4.64 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 1.22 0.00 0.00 10 S 7.81 4.76 0.00 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.03 0.00 1.90 1.92 0.00 3.03 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 12 A 8.33 4.46 1.05 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 0.00 0.00 13 I 8.68 4.83 1.92 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 1.44 0.96 1.02 0.00 0.00 14 L 8.53 4.85 0.00 1.57 1.61 0.64 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 15 T 8.92 4.57 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 1.26 0.00 0.00 16 N 8.60 5.07 0.00 2.75 2.73 0.00 0.00 7.07 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 17 C 9.59 4.35 0.00 2.97 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.77 4.12 0.00 1.98 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 2.31 2.27 0.00 20 N 7.92 4.58 0.00 2.74 2.80 0.00 0.00 6.91 7.57 0.00 0.00 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 S 8.22 4.78 0.00 4.10 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 0.00 22 C 8.93 5.70 0.00 2.87 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 23 Y 8.60 5.44 0.00 2.96 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 24 R 9.00 4.55 0.00 2.04 1.86 0.00 3.33 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 25 K 9.79 5.02 0.00 2.08 1.79 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.46 1.53 7.81 26 S 8.95 5.09 0.00 3.90 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 27 R 8.37 4.45 0.00 1.88 1.97 0.00 3.23 0.00 0.00 3.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 28 R 8.77 4.00 0.00 1.79 1.83 0.00 3.26 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 29 H 7.85 4.88 0.00 3.16 3.22 0.00 5.96 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.50 0.00 2.18 2.07 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 31 P 0.00 4.34 0.00 2.06 2.02 0.00 3.67 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 2.02 2.10 0.00 32 K 8.28 4.50 0.00 1.73 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.65 1.45 7.81 33 M 7.60 4.12 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.49 0.00 34 V 8.35 4.06 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 0.83 0.00 0.00 0.85 0.00 0.00 35 L 9.51 4.55 0.00 1.66 1.72 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.12 4.37 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 0.00 37 R 6.94 4.80 0.00 1.58 1.65 0.00 3.28 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.26 0.00 38 G 6.39 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 39 C 8.79 4.95 0.00 3.05 3.07 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 0.00 40 G 10.00 3.91 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 0.00 0.00 0.00 41 C 7.94 4.80 0.00 2.91 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 42 P 0.00 4.57 0.00 1.97 1.72 0.00 3.52 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.85 0.00 43 P 0.00 4.40 0.00 2.16 2.06 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 44 G 7.83 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 0.00 0.00 0.00 0.00 45 D 8.65 4.46 0.00 2.58 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.33 4.41 0.00 2.67 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.10 4.64 0.00 2.75 2.85 0.00 0.00 6.96 6.74 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 48 L 7.50 5.03 0.00 1.65 1.57 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.93 4.75 0.00 2.02 1.79 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 2.24 2.23 0.00 50 V 8.40 4.91 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 0.95 0.00 0.00 1.00 0.00 0.00 51 K 8.87 4.69 0.00 1.79 1.71 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.41 7.81 52 C 8.84 6.00 0.00 2.87 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 53 C 8.32 4.74 0.00 2.96 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 54 T 8.64 4.57 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 1.23 0.00 0.00 55 S 8.03 4.10 0.00 3.90 3.93 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 56 P 0.00 3.86 0.00 2.03 2.13 0.00 3.76 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 2.04 2.12 0.00 57 D 7.86 4.21 0.00 2.91 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 58 K 8.39 3.76 0.00 1.76 1.82 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.68 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 0.49 7.81 59 C 8.06 4.50 0.00 3.17 3.32 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 60 N 8.16 4.48 0.00 2.92 2.99 0.00 0.00 5.98 7.55 0.00 0.00 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 Y 8.09 4.33 0.00 3.55 3.07 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 0.00