NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2925 8.3344 116.7969 57.7617 65.2868 173.5456 3 R 3.5117 7.8965 116.3339 56.8480 27.2398 169.2574 4 V 4.4499 7.4943 112.1959 60.2445 35.5631 175.0383 5 C 4.1862 8.3084 118.7768 60.2426 31.8143 176.1349 6 Q 4.0114 8.4649 122.6923 56.3626 28.7109 174.1405 7 V 4.0848 8.3777 116.1292 62.3912 32.4253 176.6943 8 T 4.3893 7.9943 107.2735 60.4116 70.2328 174.7607 9 G 3.9480 8.5339 109.3178 44.6007 0.0000 173.5075 10 K 3.8743 7.6683 119.5029 57.1471 32.5403 176.2033 11 R 4.9492 8.1504 120.6250 53.2928 34.1998 172.8485 12 P 5.1990 0.0000 0.0000 62.5719 31.9027 175.8388 13 V 4.5687 8.5669 124.3469 61.2368 34.3236 174.7884 14 T 4.4466 8.2910 115.9278 60.6290 70.6690 174.0230 15 G 4.0464 7.6271 109.2430 45.2023 0.0000 172.6443 16 N 4.7948 8.6558 118.8363 52.7873 39.2565 175.4412 17 N 4.3191 9.1972 121.1844 54.9468 39.7816 175.2928 18 R 3.5771 7.9500 115.7148 57.1170 28.3110 174.1179 19 S 4.3665 8.3227 117.1842 57.6921 64.5759 173.8751 20 H 4.0855 8.6376 119.4559 57.2406 29.8074 174.7015 21 A 3.8146 8.7605 121.4800 52.2287 15.7842 177.3270 22 L 3.5762 7.3066 114.2025 56.8801 39.9008 174.9202 23 N 4.6988 7.8924 116.3885 52.6473 38.9942 174.5359 24 A 4.7844 8.4960 126.5120 51.6309 20.2373 176.9607 25 T 4.4175 8.3460 111.6235 60.1866 71.7067 173.2166 26 K 4.1784 8.8854 126.3665 57.6569 32.1243 175.5617 27 R 4.4052 8.9911 121.0700 57.6540 31.3175 176.9776 28 R 3.8392 8.1567 110.7362 55.2951 29.0054 174.6936 29 F 5.0689 8.8688 115.7570 55.6800 42.9940 174.1264 30 L 5.1230 8.2258 121.3355 53.0889 43.4754 176.0212 31 P 4.5583 0.0000 0.0000 63.0413 31.6286 175.0910 32 N 4.2295 8.8933 114.5874 55.6837 39.2999 176.7515 33 L 3.6328 6.8244 113.2663 56.9614 38.6592 174.2490 34 H 4.7355 8.8774 123.1646 53.7560 30.6245 170.5440 35 S 4.0512 8.3698 121.9250 57.9812 64.2828 170.5069 36 H 4.7420 8.8279 123.3946 54.1923 33.6649 172.7731 37 R 4.5832 7.5966 122.0195 55.1091 29.8253 175.2375 38 F 4.9032 9.4471 123.9676 56.2179 40.8157 175.4224 39 W 5.0084 9.1914 134.1715 55.7209 29.4643 176.5375 40 V 3.2272 8.3177 119.2355 62.0085 31.7034 176.9784 41 E 2.5400 6.2064 124.2680 56.8020 29.5681 176.0956 42 S 3.9052 7.7907 111.1663 61.3030 62.7789 174.8414 43 E 4.0686 7.8883 119.1091 54.8554 29.6572 175.9749 44 K 3.3116 7.9524 117.1976 57.4776 31.5938 174.1110 45 R 4.8325 6.8573 115.8981 54.1001 32.3996 175.5967 46 F 6.1669 9.0339 128.2641 56.9677 38.1812 175.9601 47 V 3.9824 8.1619 112.2989 62.6761 33.1654 176.5613 48 T 5.8044 8.5837 117.4195 59.4444 69.9891 172.8971 49 L 4.8649 8.6528 127.2408 52.7826 45.9095 176.4940 50 R 4.7846 8.8269 123.7139 56.6889 27.8441 175.2303 51 V 4.6831 8.1238 123.5652 61.0544 34.3359 174.1668 52 S 5.2076 8.4142 119.1946 55.8541 66.3209 173.0888 53 A 4.0628 8.6081 123.3349 53.3599 18.9463 177.6484 54 K 4.2462 8.9998 125.1823 57.9906 32.3914 178.0596 55 G 3.8667 7.6088 105.0992 48.3723 0.0000 175.2072 56 M 4.1599 8.0214 119.5933 58.4974 30.9829 178.1989 57 R 4.5148 8.0051 118.8583 58.0581 30.0667 178.8118 58 V 3.7758 7.6656 118.1655 65.4485 31.7954 177.6100 59 I 3.5820 7.3492 119.2308 64.8495 37.1823 178.0698 60 D 4.5048 8.2943 118.4563 56.2888 40.3505 178.1822 61 K 4.1495 7.2018 117.6852 57.4133 32.5988 177.0083 62 K 4.4266 9.8166 116.1853 57.7109 34.1296 174.7283 63 G 3.7505 7.4131 103.6346 44.6106 0.0000 173.9664 64 I 3.5727 8.5627 127.2616 64.7262 37.0544 178.1100 65 D 4.3920 7.8991 118.9786 56.6170 39.4366 178.5556 66 T 3.8636 7.6601 116.6359 66.1018 68.5203 176.5732 67 V 3.4809 8.7016 121.3562 65.8972 31.6295 177.9877 68 L 3.6793 8.2447 118.7646 57.6677 41.0948 178.9159 69 A 3.9524 7.8475 120.3516 54.1937 18.4102 179.8524 70 E 4.3873 8.8786 116.1021 54.1144 29.6548 182.3973 71 L 3.3628 9.6500 119.8258 55.5831 43.5046 175.3133 72 R 4.0321 5.8400 113.7955 59.6284 29.7812 178.5717 73 A 4.0208 8.9925 121.0630 54.9206 18.5211 179.1792 74 R 4.0876 7.7603 114.3163 57.4894 30.3120 177.1245 75 G 3.8716 8.1969 106.6508 45.8457 0.0000 173.0434 76 E 4.3605 8.3346 121.9223 54.9244 31.2805 178.2414 77 K 4.7140 8.0933 122.8735 56.0820 31.9281 176.3810 78 Y 3.9734 8.7477 118.4748 57.9172 39.5424 168.8709 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 2 S 8.33 4.29 0.00 3.89 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 3 R 7.90 3.51 0.00 2.03 2.02 0.00 3.23 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 4 V 7.49 4.45 2.09 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 0.76 0.00 0.00 0.95 0.00 0.00 5 C 8.31 4.19 0.00 3.10 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 6 Q 8.46 4.01 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 7 V 8.38 4.08 2.02 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 0.80 0.00 0.00 0.89 0.00 0.00 8 T 7.99 4.39 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 1.20 0.00 0.00 9 G 8.53 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.67 3.87 0.00 1.79 1.79 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.45 7.81 11 R 8.15 4.95 0.00 1.75 1.79 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 12 P 0.00 5.20 0.00 2.08 2.09 0.00 3.35 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 13 V 8.57 4.57 2.24 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 1.06 0.00 0.00 1.06 0.00 0.00 14 T 8.29 4.45 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 1.14 0.00 0.00 15 G 7.63 4.05 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 0.00 0.00 0.00 16 N 8.66 4.79 0.00 2.75 2.76 0.00 0.00 6.92 8.00 0.00 0.00 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 N 9.20 4.32 0.00 2.74 2.85 0.00 0.00 7.36 7.51 0.00 0.00 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 R 7.95 3.58 0.00 1.90 1.94 0.00 3.31 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 19 S 8.32 4.37 0.00 4.06 4.05 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 20 H 8.64 4.09 0.00 3.26 3.26 0.00 6.00 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.76 3.81 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 22 L 7.31 3.58 0.00 1.90 1.74 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.89 4.70 0.00 2.66 2.79 0.00 0.00 6.94 8.39 0.00 0.00 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 A 8.50 4.78 1.22 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 0.00 0.00 25 T 8.35 4.42 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 26 K 8.89 4.18 0.00 1.62 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.39 7.81 27 R 8.99 4.41 0.00 1.58 1.87 0.00 2.26 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 28 R 8.16 3.84 0.00 1.93 2.12 0.00 2.89 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.52 0.00 29 F 8.87 5.07 0.00 3.07 2.91 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 30 L 8.23 5.12 0.00 1.71 1.61 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.56 0.00 2.07 2.10 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 32 N 8.89 4.23 0.00 2.82 2.95 0.00 0.00 6.94 7.85 0.00 0.00 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 L 6.82 3.63 0.00 1.78 2.06 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.88 4.74 0.00 3.09 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.37 4.05 0.00 4.18 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 36 H 8.83 4.74 0.00 3.10 2.72 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.60 4.58 0.00 1.25 1.27 0.00 3.21 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.00 38 F 9.45 4.90 0.00 3.26 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 39 W 9.19 5.01 0.00 2.71 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 3.23 1.97 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 0.78 0.00 0.00 0.81 0.00 0.00 41 E 6.21 2.54 0.00 1.50 1.66 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 1.99 2.30 0.00 42 S 7.79 3.91 0.00 3.92 3.89 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 0.00 0.00 0.00 43 E 7.89 4.07 0.00 1.98 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 2.31 2.26 0.00 44 K 7.95 3.31 0.00 1.74 1.82 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.54 7.81 45 R 6.86 4.83 0.00 2.01 1.79 0.00 3.21 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 46 F 9.03 6.17 0.00 3.36 3.01 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 47 V 8.16 3.98 2.40 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 0.91 0.00 0.00 1.18 0.00 0.00 48 T 8.58 5.80 4.28 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 1.28 0.00 0.00 49 L 8.65 4.86 0.00 1.71 1.75 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.83 4.78 0.00 1.87 1.91 0.00 3.24 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 1.64 1.66 0.00 51 V 8.12 4.68 2.34 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 1.00 0.00 0.00 1.22 0.00 0.00 52 S 8.41 5.21 0.00 3.92 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 53 A 8.61 4.06 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 54 K 9.00 4.25 0.00 1.98 1.92 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 55 G 7.61 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 56 M 8.02 4.16 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.96 0.00 57 R 8.01 4.51 0.00 2.05 1.99 0.00 3.45 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 58 V 7.67 3.78 2.32 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 1.00 0.00 0.00 1.00 0.00 0.00 59 I 7.35 3.58 1.95 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.50 0.68 0.00 0.00 60 D 8.29 4.50 0.00 2.72 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 61 K 7.20 4.15 0.00 1.87 1.99 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 62 K 9.82 4.43 0.00 1.64 1.76 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.38 7.81 63 G 7.41 3.75 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 0.00 0.00 0.00 64 I 8.56 3.57 1.78 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.33 0.75 0.00 0.00 65 D 7.90 4.39 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.66 3.86 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 1.17 0.00 0.00 67 V 8.70 3.48 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 0.87 0.00 0.00 0.82 0.00 0.00 68 L 8.24 3.68 0.00 1.48 1.39 0.58 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.85 3.95 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 70 E 8.88 4.39 0.00 2.23 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 2.47 2.24 0.00 71 L 9.65 3.36 0.00 1.64 1.57 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 72 R 5.84 4.03 0.00 2.31 2.51 0.00 2.95 0.00 0.00 3.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.74 0.00 73 A 8.99 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.76 4.09 0.00 1.82 2.18 0.00 3.24 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 75 G 8.20 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 76 E 8.33 4.36 0.00 2.15 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 2.34 2.34 0.00 77 K 8.09 4.71 0.00 1.97 1.56 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.43 7.81 78 Y 8.75 3.97 0.00 3.11 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