NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3417 8.4401 118.8092 56.4624 30.8353 175.2039 2 A 4.7320 8.3650 114.2316 49.9937 20.1999 174.7552 3 Y 4.0752 9.5761 122.2294 58.1331 38.4800 175.8967 4 K 4.2465 7.4217 125.4863 54.1665 34.9452 175.1368 5 K 4.0646 7.8170 121.5553 55.7615 34.8451 174.9982 6 A 4.3115 8.2384 121.8737 51.2403 18.0565 177.9700 7 K 3.9794 8.4046 121.8557 58.2585 32.8275 178.5446 8 Q 4.0467 8.0156 115.8190 57.5026 29.1039 175.9898 9 A 4.4432 6.8552 121.9028 50.0697 18.0365 175.7532 10 S 4.5433 7.3855 116.4158 58.6668 67.2843 177.0038 11 Q 4.5183 8.1674 116.9984 57.4120 28.3978 177.0856 12 D 4.3822 7.9823 117.9650 56.1398 41.6759 176.9711 13 A 4.4580 8.0945 120.2910 53.1667 19.4036 178.6013 14 E 3.8475 7.8993 117.8461 59.0902 29.8908 178.1649 15 Q 4.0041 8.1342 119.2865 58.4041 29.0705 177.1523 16 A 4.1727 7.9365 120.2196 53.4564 18.9320 177.5983 17 A 4.3245 7.3717 117.4061 53.0357 19.4528 178.5575 18 K 4.1599 8.0782 117.3735 58.8136 32.6435 177.6341 19 D 4.7643 7.9970 115.2713 54.4723 40.8212 177.3958 20 A 4.3324 7.9004 123.5365 54.3144 19.5261 179.5856 21 E 4.1401 7.9051 115.6526 59.2074 29.8824 178.8503 22 N 4.4175 8.1023 116.5026 55.6535 38.6353 176.8158 23 A 4.2510 7.9588 122.0074 54.4757 18.5808 178.8678 24 S 4.5913 7.8868 111.1634 59.7545 63.4372 176.3086 25 K 4.1513 7.8944 121.4653 59.3697 32.2465 178.8461 26 E 4.0794 8.0278 118.7528 58.8395 29.7874 179.0892 27 A 4.8241 8.2529 121.1041 52.1965 19.4857 178.0247 28 E 4.2007 8.0964 123.8542 59.3314 30.4222 177.4663 29 E 4.1025 8.1273 116.8535 57.7423 29.8657 176.7916 30 A 4.2249 7.8852 119.6070 54.0349 19.1214 177.6630 31 A 4.1409 7.8161 118.9599 52.3283 20.1835 176.2689 32 K 4.4184 7.6976 112.2801 57.8992 29.1948 176.2414 33 E 5.0741 7.9592 115.4004 56.1388 30.5516 178.3430 34 A 4.3271 8.1080 123.3403 53.7884 19.6644 179.5027 35 V 4.4105 8.1242 106.1574 60.8810 32.6781 174.9301 36 N 5.1069 7.6049 117.7621 52.5198 42.0202 174.9108 37 L 4.9457 8.0688 122.3537 52.5830 43.0357 175.5031 38 K 4.1501 8.1189 123.5391 56.9304 33.2705 176.4751 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 E 8.44 4.34 0.00 2.15 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 2.01 2.60 0.00 2 A 8.36 4.73 1.29 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 0.00 0.00 3 Y 9.58 4.08 0.00 3.10 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 K 7.42 4.25 0.00 1.75 1.67 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.36 7.81 5 K 7.82 4.06 0.00 1.66 1.47 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.94 1.24 7.81 6 A 8.24 4.31 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 7 K 8.40 3.98 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 8 Q 8.02 4.05 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.13 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 9 A 6.86 4.44 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 10 S 7.39 4.54 0.00 3.82 3.74 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 11 Q 8.17 4.52 0.00 2.23 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.53 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 12 D 7.98 4.38 0.00 2.63 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 13 A 8.09 4.46 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 3.85 0.00 2.04 1.94 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 2.37 2.35 0.00 15 Q 8.13 4.00 0.00 2.38 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 16 A 7.94 4.17 1.32 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 0.00 0.00 17 A 7.37 4.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 4.16 0.00 1.98 1.89 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.40 7.81 19 D 8.00 4.76 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 20 A 7.90 4.33 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.91 4.14 0.00 2.21 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 2.49 2.34 0.00 22 N 8.10 4.42 0.00 2.75 2.91 0.00 0.00 7.60 7.05 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 23 A 7.96 4.25 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.59 0.00 3.94 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 25 K 7.89 4.15 0.00 1.92 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.62 7.81 26 E 8.03 4.08 0.00 2.10 1.98 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 2.33 2.50 0.00 27 A 8.25 4.82 1.27 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 0.00 0.00 0.00 28 E 8.10 4.20 0.00 2.27 1.94 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 2.26 2.23 0.00 29 E 8.13 4.10 0.00 1.97 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 2.29 2.31 0.00 30 A 7.89 4.22 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.14 1.29 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 0.00 0.00 32 K 7.70 4.42 0.00 2.02 1.94 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.46 7.81 33 E 7.96 5.07 0.00 2.00 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 2.29 2.26 0.00 34 A 8.11 4.33 1.27 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 0.00 0.00 0.00 35 V 8.12 4.41 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 0.79 0.00 0.00 0.96 0.00 0.00 36 N 7.60 5.11 0.00 2.73 2.58 0.00 0.00 6.92 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 37 L 8.07 4.95 0.00 1.63 1.59 0.92 0.87 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 38 K 8.12 4.15 0.00 1.79 1.63 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.38 7.81