NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3396 8.3545 119.0760 55.6756 30.2396 174.3011 4 P 4.5159 0.0000 0.0000 62.2637 33.0267 175.9176 5 R 4.3257 7.8569 124.2873 56.1904 31.7509 175.9574 6 T 4.4303 8.0662 116.3772 58.0363 70.0371 172.2166 7 A 4.2152 8.4260 130.1518 50.3306 18.7660 176.9677 8 F 4.9522 8.3308 122.4226 57.4063 40.0149 176.6694 9 S 4.4910 9.4096 120.7028 57.8766 65.0304 175.7127 10 S 4.1314 8.5141 117.1785 61.6960 62.6258 176.4497 11 E 3.9316 8.0620 121.6754 59.1845 29.3132 179.0864 12 Q 3.7901 7.8898 117.8244 58.8358 28.6643 178.6527 13 L 3.7180 8.0632 121.1864 57.8066 42.1116 178.7804 14 A 3.9353 8.0875 120.9184 55.0270 18.2294 179.5888 15 R 3.7523 7.7904 117.0572 59.6323 30.2174 178.6292 16 L 3.7403 7.5661 118.6678 57.7083 41.4080 179.8306 17 K 4.2515 8.1436 118.5744 59.4237 32.1319 179.4437 18 R 3.9693 8.0862 119.0470 59.4497 30.0242 178.4087 19 E 4.0903 8.6003 118.7830 59.5360 29.2988 179.1509 20 F 4.4542 8.6912 119.9756 61.3786 39.5126 176.3930 21 N 4.4496 8.3415 115.9728 56.5184 38.7701 176.5067 22 E 4.3262 8.0010 119.2127 57.8549 29.7546 177.0584 23 N 4.7253 7.8378 117.2411 52.7520 41.4698 174.2811 24 R 3.6569 8.5741 124.5898 57.2186 30.6120 175.9765 25 Y 4.5282 8.4082 116.2870 55.7319 40.2460 174.8540 26 L 4.3490 8.3117 125.8310 53.0426 43.3460 176.7377 27 T 4.1996 8.1096 117.0267 61.3815 70.9496 175.0403 28 E 4.0434 8.7486 123.6585 60.1491 29.4953 180.5393 29 R 4.1889 7.8001 121.7017 60.9583 29.5085 181.4509 30 R 4.1328 7.9752 119.6659 58.9345 29.9604 178.5311 31 R 3.7813 8.3246 119.2020 59.3279 29.6806 178.4020 32 Q 3.9626 8.2543 118.0303 59.0282 28.7313 178.7271 33 Q 3.9898 7.8435 119.8420 59.2539 29.1011 178.3169 34 L 3.9608 8.0995 120.1644 57.6890 41.6688 179.3507 35 S 4.4090 8.2795 114.7567 61.0592 62.1361 176.3354 36 S 4.0957 8.0100 114.3236 61.1522 62.2166 175.3277 37 E 4.2132 8.5251 120.1585 57.6258 29.5671 177.6766 38 L 4.4895 7.9085 117.1808 53.3665 42.7153 176.8962 39 G 3.8681 7.8634 106.4259 46.2773 0.0000 173.2022 40 L 4.7500 7.4301 118.6428 51.9593 44.2653 176.1649 41 N 4.6913 8.4439 119.4677 52.4810 38.3414 175.7168 42 E 3.9428 8.9729 119.4500 59.8525 29.5052 179.5966 43 A 4.0481 8.0720 120.1125 55.2872 18.4802 179.5628 44 Q 4.1427 9.0684 116.9870 59.1651 28.7793 179.0535 45 I 3.9432 7.6743 120.9859 64.2807 37.2143 178.2389 46 K 4.0040 8.3701 120.6135 59.8309 31.9243 178.8544 47 I 3.8257 8.0766 119.9461 64.0624 36.9731 178.1941 48 W 4.0666 8.6503 129.2851 60.5414 30.5987 178.0217 49 F 3.8829 8.9824 117.8155 60.5607 38.3776 177.6677 50 Q 4.0005 8.3100 117.5763 59.1919 28.4574 178.7026 51 N 4.2030 8.2632 117.7139 56.1203 38.2700 177.1158 52 E 3.2106 7.4881 120.2223 58.9961 29.4760 178.8215 53 R 4.1540 7.6033 116.9478 59.1835 30.2134 178.6881 54 A 4.1008 7.7449 119.6819 53.8294 18.3802 178.0038 55 K 4.1830 7.3665 121.4967 57.1754 33.0921 176.2083 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 R 8.35 4.34 0.00 1.85 1.83 0.00 3.19 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 4 P 0.00 4.52 0.00 2.14 1.94 0.00 3.73 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 1.84 1.65 0.00 5 R 7.86 4.33 0.00 1.77 1.72 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 6 T 8.07 4.43 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 7 A 8.43 4.22 1.25 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 8 F 8.33 4.95 0.00 2.94 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 9 S 9.41 4.49 0.00 4.00 4.01 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 0.00 0.00 0.00 10 S 8.51 4.13 0.00 4.07 4.17 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 0.00 0.00 0.00 0.00 11 E 8.06 3.93 0.00 2.04 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 2.37 2.44 0.00 12 Q 7.89 3.79 0.00 2.14 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 13 L 8.06 3.72 0.00 1.87 1.78 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.09 3.94 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.79 3.75 0.00 1.88 1.96 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 16 L 7.57 3.74 0.00 0.86 0.13 -0.16 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.14 4.25 0.00 1.89 1.95 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.68 1.68 7.81 18 R 8.09 3.97 0.00 1.92 2.08 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 19 E 8.60 4.09 0.00 2.39 2.30 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 2.56 2.55 0.00 20 F 8.69 4.45 0.00 3.00 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 21 N 8.34 4.45 0.00 2.89 3.08 0.00 0.00 7.28 7.03 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 22 E 8.00 4.33 0.00 2.22 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 2.38 2.64 0.00 23 N 7.84 4.73 0.00 2.69 2.74 0.00 0.00 7.32 7.25 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 24 R 8.57 3.66 0.00 1.54 1.41 0.00 2.99 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 25 Y 8.41 4.53 0.00 3.08 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 26 L 8.31 4.35 0.00 0.68 1.27 0.46 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.11 4.20 4.23 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 1.21 0.00 0.00 28 E 8.75 4.04 0.00 2.02 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 2.39 2.37 0.00 29 R 7.80 4.19 0.00 1.81 1.94 0.00 3.32 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.11 0.00 30 R 7.98 4.13 0.00 1.87 2.00 0.00 3.07 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 31 R 8.32 3.78 0.00 1.92 2.03 0.00 3.33 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 32 Q 8.25 3.96 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 33 Q 7.84 3.99 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 34 L 8.10 3.96 0.00 1.82 1.67 0.99 1.03 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 35 S 8.28 4.41 0.00 3.91 4.01 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 0.00 0.00 0.00 36 S 8.01 4.10 0.00 3.88 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 37 E 8.53 4.21 0.00 1.96 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 2.30 2.44 0.00 38 L 7.91 4.49 0.00 1.58 1.50 0.70 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.86 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 40 L 7.43 4.75 0.00 1.56 1.46 0.16 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.44 4.69 0.00 2.97 2.97 0.00 0.00 6.21 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 42 E 8.97 3.94 0.00 2.04 2.07 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 2.40 2.39 0.00 43 A 8.07 4.05 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 44 Q 9.07 4.14 0.00 2.33 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 45 I 7.67 3.94 2.08 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 1.34 0.71 1.06 0.00 0.00 46 K 8.37 4.00 0.00 1.97 2.08 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.55 7.81 47 I 8.08 3.83 2.15 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.88 0.96 0.00 0.00 48 W 8.65 4.07 0.00 3.88 3.62 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 49 F 8.98 3.88 0.00 3.54 3.22 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 50 Q 8.31 4.00 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.71 0.00 51 N 8.26 4.20 0.00 2.54 2.63 0.00 0.00 6.72 8.27 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 52 E 7.49 3.21 0.00 1.16 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 1.47 1.47 0.00 53 R 7.60 4.15 0.00 1.97 1.96 0.00 2.86 0.00 0.00 2.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 54 A 7.74 4.10 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 55 K 7.37 4.18 0.00 1.78 1.66 0.00 1.42 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.35 1.28 7.81