NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.5358 8.4244 118.2271 54.9818 37.4195 172.6182 7 S 4.1801 8.9320 118.7322 58.1732 62.4604 167.0007 8 D 4.7338 8.6677 128.2853 55.1568 42.8315 175.1778 9 F 5.4490 7.9428 114.3304 55.3163 41.7781 173.7088 10 V 4.4651 8.9250 118.5501 61.0910 34.9874 174.0649 11 V 4.7384 8.7966 127.3889 61.4818 33.6523 174.3807 12 I 4.9411 8.8970 128.7563 59.5128 40.4207 174.2238 13 K 4.9278 8.8779 129.3936 54.5355 34.0151 175.2137 14 A 4.4900 8.8117 130.5178 52.0460 19.0227 177.3556 15 L 4.5078 8.7311 122.6979 54.9042 42.3764 176.1346 16 E 4.6379 7.5170 115.7146 55.4890 31.8135 174.6426 17 D 4.4998 8.4885 119.0621 55.4064 41.3364 176.6687 18 G 3.8686 8.5706 108.5984 46.3096 0.0000 174.2539 19 V 3.9602 7.8628 119.8198 62.6504 33.0773 174.5545 20 N 5.3246 9.0042 123.5154 51.4059 41.8077 173.4184 21 V 4.6440 8.7487 124.2756 61.2941 33.7642 174.1565 22 I 4.7215 8.8988 129.7101 59.3990 39.8209 175.0039 23 G 4.1538 8.7898 114.7297 45.2134 0.0000 172.5319 24 L 5.5939 8.8703 125.1011 52.9358 44.2993 176.1998 25 T 4.5864 8.6503 113.7485 61.8574 69.4182 174.0657 26 R 4.2755 8.0676 126.2244 55.3893 30.8587 177.0440 27 G 3.6837 8.3358 111.7258 44.7540 0.0000 172.3457 28 A 4.1525 8.3314 122.4925 53.9122 18.9104 177.7390 29 D 5.0053 7.8496 114.3184 52.7944 43.3096 175.5948 30 T 4.7853 8.2160 118.5086 61.8895 71.1168 173.3806 31 R 4.4640 8.5413 121.3437 54.7600 33.5411 174.1652 32 F 5.2352 8.3248 119.1650 58.0714 38.9374 175.1624 33 H 5.0345 8.9239 117.6992 56.0600 30.8266 173.6243 34 H 4.8153 7.7592 117.8452 54.7873 33.4685 172.0374 35 S 4.7369 8.1601 119.1739 56.5122 64.7420 172.6976 36 E 4.4320 9.0251 130.4822 54.4525 30.6106 174.8994 37 K 4.5374 8.6189 129.6409 56.3052 33.1714 175.7379 38 L 4.9273 9.3278 128.2755 53.1820 44.4376 176.1990 39 D 5.0307 9.3347 124.3525 52.3312 43.3953 175.8148 40 K 4.0455 8.8009 121.6435 59.1657 32.0587 176.9001 41 G 4.0047 9.1716 116.1149 44.9545 0.0000 173.1244 42 E 4.3052 8.0584 119.7596 56.1094 30.8977 175.9191 43 V 4.8939 8.2710 121.7809 60.9920 34.5446 174.2574 44 L 4.7177 9.2042 129.2762 53.2957 44.8726 174.8207 45 I 4.9331 8.4944 126.8348 59.6846 38.8178 174.7909 46 A 4.7180 8.9583 129.3101 50.1235 21.8997 175.4510 47 Q 4.8679 8.6406 120.9017 55.0047 30.5810 175.4658 48 F 4.8419 8.7243 120.0513 57.5323 39.2406 175.3956 49 T 4.7654 8.9725 111.3152 59.8409 72.0706 174.1664 50 E 4.0795 8.9586 121.3268 59.3372 29.6607 177.2200 51 H 4.4939 7.8721 111.8207 56.4905 29.7523 174.3611 52 T 5.5786 8.7837 116.6615 60.8113 70.7444 174.3849 53 S 5.1706 8.8896 119.6606 57.8516 64.8551 173.1474 54 A 4.9941 7.8937 120.9043 51.3629 22.4656 175.5148 55 I 5.0251 8.5545 120.9448 59.3402 41.0010 174.7123 56 K 4.5930 9.0506 127.7235 54.4580 35.1128 174.6047 57 V 4.7812 8.4383 126.6362 61.0801 33.7364 174.2410 58 R 4.4596 8.8051 128.5500 55.4968 32.4305 175.1859 59 G 4.0777 8.9949 111.4988 43.8955 0.0000 172.3898 60 K 4.9240 8.8508 120.0354 55.5208 32.9700 175.6163 61 A 5.1045 8.6205 128.0571 50.8897 23.5678 173.6732 62 Y 4.8032 8.8414 121.1502 56.1573 40.8974 174.5220 63 I 5.1481 8.5815 127.5466 59.6017 40.6922 174.3380 64 Q 5.1972 8.9283 125.8905 54.3860 31.6090 174.9019 65 T 4.8786 8.6275 112.6835 59.4741 72.5613 174.5205 66 R 3.6523 8.5592 120.9843 59.8039 29.7398 176.3629 67 H 4.6140 7.6478 110.7534 55.2030 29.2332 173.6513 68 G 3.7590 7.4107 106.3577 43.7336 0.0000 173.1798 69 V 4.4465 7.9197 112.3939 60.6027 32.7694 175.8988 70 I 4.6354 8.7490 123.3349 59.2921 42.0845 173.4221 71 E 5.1946 8.6173 125.3813 54.5003 31.9680 175.7715 72 S 4.6851 8.6987 119.3084 57.4792 65.2580 172.8907 73 E 4.9456 8.5992 120.9004 54.3190 32.2789 176.3529 74 G 3.7154 8.5876 110.6475 45.9449 0.0000 173.4840 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 6 N 8.42 4.54 0.00 2.88 2.99 0.00 0.00 6.31 6.76 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 7 S 8.93 4.18 0.00 4.08 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 8 D 8.67 4.73 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 5.45 0.00 3.01 2.99 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 10 V 8.93 4.47 1.96 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 0.99 0.00 0.00 0.84 0.00 0.00 11 V 8.80 4.74 2.19 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 0.98 0.00 0.00 1.17 0.00 0.00 12 I 8.90 4.94 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.39 0.92 0.00 0.00 13 K 8.88 4.93 0.00 1.89 1.77 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.37 7.81 14 A 8.81 4.49 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 15 L 8.73 4.51 0.00 1.72 1.73 1.01 0.73 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 16 E 7.52 4.64 0.00 2.01 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 2.13 2.27 0.00 17 D 8.49 4.50 0.00 2.69 2.63 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 18 G 8.57 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 19 V 7.86 3.96 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 0.94 0.00 0.00 1.03 0.00 0.00 20 N 9.00 5.32 0.00 2.57 2.56 0.00 0.00 6.51 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 21 V 8.75 4.64 2.05 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 1.00 0.00 0.00 0.90 0.00 0.00 22 I 8.90 4.72 1.62 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.39 0.21 0.00 0.00 23 G 8.79 4.15 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 0.00 0.00 0.00 24 L 8.87 5.59 0.00 1.91 1.71 1.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.65 4.59 4.29 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 1.41 0.00 0.00 26 R 8.07 4.28 0.00 1.89 2.00 0.00 3.28 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.34 3.68 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 0.00 0.00 0.00 28 A 8.33 4.15 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 29 D 7.85 5.01 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.22 4.79 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 1.25 0.00 0.00 31 R 8.54 4.46 0.00 1.78 1.91 0.00 2.78 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 1.53 1.65 0.00 32 F 8.32 5.24 0.00 2.94 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 33 H 8.92 5.03 0.00 3.17 3.48 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.76 4.82 0.00 3.25 3.08 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.16 4.74 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 4.43 0.00 2.22 1.83 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 2.25 2.29 0.00 37 K 8.62 4.54 0.00 1.78 1.69 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 L 9.33 4.93 0.00 1.55 1.53 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.33 5.03 0.00 2.56 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 40 K 8.80 4.05 0.00 1.66 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.41 7.81 41 G 9.17 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 42 E 8.06 4.31 0.00 2.02 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 2.32 2.38 0.00 43 V 8.27 4.89 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 0.79 0.00 0.00 0.93 0.00 0.00 44 L 9.20 4.72 0.00 1.70 1.45 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 4.93 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.67 0.00 0.00 46 A 8.96 4.72 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.64 4.87 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.89 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 48 F 8.72 4.84 0.00 3.00 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 49 T 8.97 4.77 4.31 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 1.31 0.00 0.00 50 E 8.96 4.08 0.00 1.96 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 2.08 2.29 0.00 51 H 7.87 4.49 0.00 3.27 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.78 5.58 4.35 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 1.37 0.00 0.00 53 S 8.89 5.17 0.00 3.87 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 0.00 54 A 7.89 4.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 5.03 1.82 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.84 0.00 0.00 56 K 9.05 4.59 0.00 1.78 1.48 0.00 1.54 0.00 0.00 1.38 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.33 7.81 57 V 8.44 4.78 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.91 0.00 0.00 58 R 8.81 4.46 0.00 1.84 1.67 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 59 G 8.99 4.08 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 0.00 60 K 8.85 4.92 0.00 1.85 1.72 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.34 7.81 61 A 8.62 5.10 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 62 Y 8.84 4.80 0.00 3.08 2.79 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 0.00 0.00 0.00 63 I 8.58 5.15 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.89 0.00 0.00 64 Q 8.93 5.20 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 65 T 8.63 4.88 4.13 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 R 8.56 3.65 0.00 1.59 1.75 0.00 3.17 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 67 H 7.65 4.61 0.00 3.28 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.41 3.76 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 0.00 0.00 0.00 69 V 7.92 4.45 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.61 0.00 0.00 70 I 8.75 4.64 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.56 0.86 0.00 0.00 71 E 8.62 5.19 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 72 S 8.70 4.69 0.00 3.95 3.96 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 73 E 8.60 4.95 0.00 1.84 1.87 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 2.20 2.22 0.00 74 G 8.59 3.72 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 0.00 0.00 0.00