NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0806 8.2549 120.8389 55.0486 31.3838 175.2256 2 P 4.0499 0.0000 0.0000 62.2320 31.9538 175.9379 3 D 4.3902 8.4419 121.6783 57.2143 41.5942 178.6975 4 F 4.3244 8.0738 114.7289 59.8914 37.5150 177.6443 5 C 4.7164 7.4888 115.5267 58.7629 40.0141 174.0213 6 L 4.4312 7.8062 119.2235 54.5934 42.1290 176.7454 7 E 4.2764 7.8119 118.6639 55.1519 30.0959 175.1424 8 P 4.3736 0.0000 0.0000 61.3855 32.1127 174.8297 9 P 3.6069 0.0000 0.0000 62.7099 31.4178 175.5053 10 Y 4.5923 7.6331 120.4912 56.0177 40.4398 175.2377 11 T 4.1801 8.3132 125.5176 65.0951 68.8296 176.1120 12 G 3.6282 6.7943 106.7276 43.8864 0.0000 171.0764 13 P 4.3172 0.0000 0.0000 64.5327 31.8735 177.4521 14 C 4.5141 7.8058 116.7546 56.7401 40.9151 173.7241 15 K 4.3473 8.1779 118.2111 56.1570 32.3828 176.6582 16 A 4.1458 7.9187 122.3217 51.9848 19.7464 177.3731 17 R 4.8419 8.2153 117.4259 53.9306 30.4449 173.5247 18 I 4.4341 8.3482 122.0662 58.8488 40.1748 175.1114 19 I 3.9964 8.3380 128.2042 61.6617 37.5763 175.4803 20 R 4.5696 8.4007 125.0112 54.5140 34.8585 173.5603 21 Y 5.7453 9.3176 117.7370 56.5736 41.0388 175.3415 22 F 5.7509 9.4083 116.9209 55.3063 42.1088 172.9955 23 Y 4.4187 9.9847 122.9701 57.4132 40.0069 174.0761 24 N 4.7746 8.2983 126.4191 51.6014 38.4783 175.0061 25 A 3.7155 8.4344 128.6796 54.9730 18.8006 178.3657 26 K 3.8598 8.2627 114.8807 59.4670 32.0875 177.3560 27 A 4.1422 7.9066 119.2373 52.1771 19.0506 177.6322 28 G 3.9954 8.8469 104.0155 45.4343 0.0000 172.9404 29 L 4.6502 6.7704 117.7301 54.3565 43.9095 174.7553 30 C 4.9498 8.6490 116.8583 57.1631 42.0324 173.1239 31 Q 4.8234 8.7684 120.4321 54.3927 33.3854 174.2526 32 T 5.0608 8.6322 110.7659 61.5393 70.4282 173.7080 33 F 5.1228 9.0252 117.3286 55.7092 42.2446 172.9510 34 V 4.3017 8.4396 119.4437 61.9202 32.5026 174.1115 35 Y 4.8180 8.8322 129.7194 55.9057 40.5744 176.5249 36 G 3.9367 8.1731 113.6180 46.2748 0.0000 174.9489 37 G 3.8277 6.3761 106.3231 45.3392 0.0000 172.2570 38 C 4.8685 7.1465 112.1750 55.0492 44.3965 173.0661 39 R 3.8184 8.7705 116.0697 57.1215 26.9824 176.9392 40 A 4.3011 8.3175 119.0977 52.5007 19.0999 178.3145 41 K 4.3673 8.2563 120.5629 54.9022 34.1668 176.9955 42 R 3.5101 7.9960 117.5338 58.6603 30.4873 177.3977 43 N 4.8679 7.7919 118.0682 51.3516 37.4588 174.8427 44 N 4.9925 6.6430 116.0099 53.0956 41.2390 173.1206 45 F 4.9383 9.4511 125.3885 55.3297 42.2768 176.5914 46 K 4.0387 9.1000 126.5118 58.4541 32.7375 177.2442 47 S 4.8955 8.0983 112.5556 56.3092 65.1248 174.5257 48 A 3.3869 8.1299 130.3326 54.5924 18.0764 179.2189 49 E 3.7132 7.9968 117.5877 59.7061 29.6703 178.6389 50 D 4.2762 7.8783 118.4449 57.4424 40.9082 177.9711 51 C 2.4500 7.5399 118.2313 59.3634 40.5116 175.6377 52 M 3.8756 7.6137 120.0415 58.3579 31.3518 178.8177 53 R 3.7879 7.4432 117.3269 59.6360 30.3396 178.4030 54 T 3.9821 7.6334 114.3406 66.2974 68.6532 175.2958 55 C 4.4551 7.7525 114.7529 57.7316 41.6113 174.1759 56 G 3.6046 8.0808 110.3951 43.2571 0.0000 174.2878 57 G 3.7804 8.8165 108.1747 45.7017 0.0000 173.9579 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 4.08 0.00 1.59 1.80 0.00 3.14 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 2 P 0.00 4.05 0.00 1.00 1.56 0.00 3.38 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 1.75 2.00 0.00 3 D 8.44 4.39 0.00 2.70 2.73 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 0.00 0.00 0.00 4 F 8.07 4.32 0.00 3.21 3.36 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 5 C 7.49 4.72 0.00 3.01 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 6 L 7.81 4.43 0.00 1.71 1.76 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.81 4.28 0.00 2.08 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 2.56 2.47 0.00 8 P 0.00 4.37 0.00 1.96 1.90 0.00 3.67 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 2.01 2.06 0.00 9 P 0.00 3.61 0.00 0.88 0.49 0.00 3.23 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.00 10 Y 7.63 4.59 0.00 2.77 2.86 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 0.00 0.00 0.00 11 T 8.31 4.18 4.12 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 1.17 0.00 0.00 12 G 6.79 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.32 0.00 2.17 2.18 0.00 3.91 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 1.97 2.02 0.00 14 C 7.81 4.51 0.00 2.80 2.97 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 0.00 0.00 0.00 15 K 8.18 4.35 0.00 1.66 1.75 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.30 7.81 16 A 7.92 4.15 1.14 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 0.00 0.00 17 R 8.22 4.84 0.00 1.60 1.79 0.00 3.13 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 18 I 8.35 4.43 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.12 0.92 0.00 0.00 19 I 8.34 4.00 1.73 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 1.26 0.67 0.58 0.00 0.00 20 R 8.40 4.57 0.00 0.67 1.67 0.00 3.27 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 21 Y 9.32 5.75 0.00 3.09 2.98 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 22 F 9.41 5.75 0.00 3.24 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 9.98 4.42 0.00 3.09 3.16 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 24 N 8.30 4.77 0.00 2.39 2.49 0.00 0.00 6.66 8.18 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 25 A 8.43 3.72 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 26 K 8.26 3.86 0.00 1.72 2.04 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 27 A 7.91 4.14 1.24 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 0.00 0.00 0.00 28 G 8.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.77 4.65 0.00 1.67 1.72 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.65 4.95 0.00 2.83 3.09 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 0.00 31 Q 8.77 4.82 0.00 1.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 32 T 8.63 5.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 33 F 9.03 5.12 0.00 3.05 3.16 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 34 V 8.44 4.30 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 0.71 0.00 0.00 0.92 0.00 0.00 35 Y 8.83 4.82 0.00 2.47 2.67 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 36 G 8.17 3.94 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 0.00 37 G 6.38 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 4.87 0.00 3.05 2.97 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 0.00 0.00 0.00 39 R 8.77 3.82 0.00 2.22 2.24 0.00 3.42 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 A 8.32 4.30 1.08 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 0.00 0.00 0.00 0.00 0.00 41 K 8.26 4.37 0.00 1.70 1.67 0.00 1.31 0.00 0.00 1.50 0.00 0.00 2.51 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.13 7.81 42 R 8.00 3.51 0.00 0.94 0.66 0.00 2.48 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.22 0.00 43 N 7.79 4.87 0.00 3.09 2.85 0.00 0.00 6.71 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 6.64 4.99 0.00 2.68 2.57 0.00 0.00 7.08 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 9.45 4.94 0.00 3.35 3.16 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 46 K 9.10 4.04 0.00 1.77 1.94 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.49 7.81 47 S 8.10 4.90 0.00 3.97 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 48 A 8.13 3.39 0.38 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 0.00 0.00 49 E 8.00 3.71 0.00 1.97 1.92 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 2.32 2.36 0.00 50 D 7.88 4.28 0.00 3.05 2.86 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 0.00 0.00 0.00 51 C 7.54 2.45 0.00 2.75 2.98 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 52 M 7.61 3.88 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.44 0.00 53 R 7.44 3.79 0.00 1.84 1.87 0.00 3.23 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.63 3.98 4.12 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 1.54 0.00 0.00 55 C 7.75 4.46 0.00 2.72 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 0.00 0.00 0.00 0.00 56 G 8.08 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 3.78 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