NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1520 8.2549 117.2483 54.3696 31.7056 175.3989 2 P 3.8653 0.0000 0.0000 62.6703 31.9072 175.6810 3 D 4.4158 8.3795 121.7247 56.8696 42.2410 178.4570 4 F 4.3375 7.9047 114.2235 59.9306 37.9007 177.6020 5 C 4.8262 7.5945 114.9292 58.1214 39.4744 173.7955 6 L 4.6857 7.8115 117.6583 54.1439 42.9608 176.3088 7 E 4.3807 8.3496 119.8010 54.3561 30.2932 174.8342 8 P 4.3391 0.0000 0.0000 61.7793 31.8267 174.2846 9 P 3.6732 0.0000 0.0000 62.8081 31.6594 174.9887 10 Y 4.6752 7.8618 120.4907 56.2307 41.3047 176.2955 11 T 4.1143 8.2579 123.9310 64.5017 69.1388 176.1776 12 G 4.0302 6.7497 104.5965 44.3363 0.0000 171.1553 13 P 4.4530 0.0000 0.0000 63.5805 32.2401 177.4420 14 C 4.4493 7.8027 117.3691 57.2097 40.7226 173.6179 15 K 4.1161 8.3086 120.7416 56.4256 32.1149 177.3823 16 A 4.2222 7.8755 123.5092 51.9693 20.8120 177.5592 17 R 4.7545 8.0812 111.4348 55.6105 30.9081 173.6847 18 I 4.3989 8.4469 123.1308 59.0217 39.5877 175.2489 19 I 4.2432 8.2454 128.0072 61.5395 37.8589 175.4599 20 R 4.7601 8.4396 123.6387 55.3846 35.3109 173.5201 21 Y 5.5405 9.3496 118.5390 56.8886 40.9121 174.9766 22 F 5.5064 9.1598 115.8251 55.7128 42.1181 172.5266 23 Y 4.5158 9.4510 122.3525 56.7253 39.6646 174.5082 24 N 4.6915 7.9884 126.4752 51.9092 39.0298 175.3241 25 A 3.9439 8.6264 130.4031 54.9198 18.9737 178.8582 26 K 4.0879 8.0122 114.5062 59.4366 32.2410 178.5245 27 A 3.9720 8.0102 120.3522 53.0040 18.6190 178.4678 28 G 3.9093 8.3302 103.1568 45.1608 0.0000 172.3495 29 L 4.8835 6.8350 118.6327 53.8434 44.7267 175.7631 30 C 4.9835 8.6283 116.4229 56.4518 42.0734 173.3832 31 Q 4.9090 8.2790 121.2594 54.1199 32.7072 174.5773 32 T 4.8492 8.4090 110.8470 61.1305 70.6187 173.7516 33 F 5.0727 9.4789 117.7290 55.6484 42.2459 173.0531 34 V 4.3476 8.3550 119.5786 61.7669 32.5463 174.1154 35 Y 4.6971 8.6490 130.3602 56.0617 39.9842 176.3795 36 G 3.9948 8.3100 114.0160 46.3031 0.0000 174.3156 37 G 3.5495 5.7071 110.9364 45.4786 0.0000 172.7265 38 C 5.1120 6.9668 111.0076 52.6082 45.1818 172.9305 39 R 3.7647 8.8073 115.2934 57.1024 26.9810 176.8411 40 A 4.1737 8.1605 118.5799 52.4374 19.2251 177.6019 41 K 4.4294 8.0465 119.2167 54.5928 34.5476 176.9510 42 R 3.5760 8.0085 117.7011 58.7698 30.3393 177.3768 43 N 4.6806 7.5531 117.9452 51.0254 36.8235 173.7735 44 N 4.7998 6.7856 113.8604 53.1236 41.1438 173.3633 45 F 5.0040 9.6381 125.8150 55.7060 42.0411 177.0713 46 K 4.5190 9.0037 118.9319 57.5133 32.8019 177.5502 47 S 4.4080 7.5958 112.7722 56.0192 66.7747 175.0950 48 A 3.4552 7.2462 124.6323 54.5989 17.9820 179.8417 49 E 3.6883 7.8093 117.6462 59.9310 29.8456 177.9249 50 D 4.4360 7.7153 118.0238 57.8084 40.7972 177.9074 51 C 2.0000 7.7481 117.9417 59.7873 41.7319 176.2394 52 M 3.9040 7.9933 120.1936 58.4278 31.3358 178.9514 53 R 3.9690 8.5413 117.9711 58.4722 30.2222 178.5497 54 T 4.2797 7.4000 114.7421 65.1793 69.5005 175.0503 55 C 4.4403 7.8946 115.6867 55.8533 41.1389 173.9045 56 G 3.8026 7.6513 110.2313 47.0436 0.0000 174.5089 57 G 3.8709 9.0684 111.7754 45.7870 0.0000 173.2133 58 A 4.0439 7.5509 127.6381 52.2588 18.3904 177.4130 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 R 8.25 4.15 0.00 1.84 2.03 0.00 3.13 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 2 P 0.00 3.87 0.00 0.79 1.26 0.00 3.24 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 3 D 8.38 4.42 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.90 4.34 0.00 3.10 3.30 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 5 C 7.59 4.83 0.00 2.90 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 6 L 7.81 4.69 0.00 1.78 1.71 0.93 0.79 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 7 E 8.35 4.38 0.00 2.17 1.89 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 2.36 2.41 0.00 8 P 0.00 4.34 0.00 2.08 2.03 0.00 3.78 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 1.97 1.96 0.00 9 P 0.00 3.67 0.00 0.96 0.49 0.00 3.30 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.00 10 Y 7.86 4.68 0.00 2.92 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 11 T 8.26 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 12 G 6.75 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.45 0.00 2.19 2.19 0.00 3.82 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 1.97 2.02 0.00 14 C 7.80 4.45 0.00 2.94 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 15 K 8.31 4.12 0.00 1.68 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.32 7.81 16 A 7.88 4.22 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.08 4.75 0.00 1.72 1.73 0.00 3.18 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 18 I 8.45 4.40 1.93 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.28 0.94 0.00 0.00 19 I 8.25 4.24 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.72 0.00 0.00 20 R 8.44 4.76 0.00 1.07 1.92 0.00 3.58 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 21 Y 9.35 5.54 0.00 3.24 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 22 F 9.16 5.51 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 23 Y 9.45 4.52 0.00 3.03 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 24 N 7.99 4.69 0.00 2.52 2.52 0.00 0.00 6.64 7.19 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 25 A 8.63 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.09 0.00 1.86 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 27 A 8.01 3.97 1.17 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 0.00 0.00 28 G 8.33 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 29 L 6.83 4.88 0.00 1.66 1.70 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.63 4.98 0.00 2.90 3.15 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 0.00 0.00 0.00 0.00 31 Q 8.28 4.91 0.00 1.54 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 32 T 8.41 4.85 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 0.75 0.00 0.00 33 F 9.48 5.07 0.00 2.99 3.26 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 34 V 8.36 4.35 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 0.68 0.00 0.00 0.86 0.00 0.00 35 Y 8.65 4.70 0.00 2.45 2.68 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 0.00 0.00 0.00 0.00 36 G 8.31 3.99 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 0.00 0.00 0.00 37 G 5.71 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.97 5.11 0.00 3.06 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 39 R 8.81 3.76 0.00 2.23 2.20 0.00 3.27 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 40 A 8.16 4.17 1.04 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 0.00 0.00 41 K 8.05 4.43 0.00 1.70 1.64 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 0.97 7.81 42 R 8.01 3.58 0.00 1.15 0.66 0.00 3.04 0.00 0.00 2.93 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.29 0.00 43 N 7.55 4.68 0.00 3.11 2.81 0.00 0.00 6.74 7.79 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 44 N 6.79 4.80 0.00 2.74 2.69 0.00 0.00 7.19 7.02 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 45 F 9.64 5.00 0.00 3.22 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 46 K 9.00 4.52 0.00 1.85 1.95 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.50 7.81 47 S 7.60 4.41 0.00 3.91 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 48 A 7.25 3.46 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 3.69 0.00 1.95 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 2.30 2.34 0.00 50 D 7.72 4.44 0.00 2.92 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 51 C 7.75 2.00 0.00 2.79 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 52 M 7.99 3.90 0.00 1.95 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.80 0.00 53 R 8.54 3.97 0.00 1.60 1.93 0.00 3.11 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 54 T 7.40 4.28 4.03 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 0.00 0.00 1.60 0.00 0.00 55 C 7.89 4.44 0.00 2.68 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 0.00 0.00 0.00 0.00 56 G 7.65 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 0.00 0.00 0.00 57 G 9.07 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 58 A 7.55 4.04 0.94 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 0.00 0.00