NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8187 8.3544 109.7358 44.7294 0.0000 177.0768 2 S 4.1130 8.4122 122.3004 57.2290 63.2360 172.1244 3 S 4.5983 8.7674 123.4697 57.5128 66.8945 172.4010 4 G 3.5431 8.8529 113.6816 46.0069 0.0000 173.1084 5 S 4.4162 8.2203 121.1199 56.5276 61.7950 173.8964 6 S 4.5568 8.2628 122.5301 57.1831 64.6212 174.4965 7 G 4.0561 8.7430 108.1533 45.6609 0.0000 173.6187 8 K 4.2943 8.3294 122.2311 55.5112 34.6353 176.3393 9 V 4.0542 7.9891 122.0193 61.4754 33.3086 173.9283 10 F 4.7480 9.1387 127.6128 55.7239 41.5481 175.0745 11 R 4.9105 8.1423 121.3197 54.5676 32.8108 175.2219 12 A 4.3217 8.2441 127.1319 51.1622 18.4727 177.9849 13 L 3.8148 8.5380 123.0945 58.7330 42.1580 177.4029 14 Y 4.8613 7.7236 113.1302 56.8438 41.8570 173.9691 15 T 4.1715 8.7228 118.6356 64.0362 68.8344 173.9819 16 F 4.0940 7.6014 128.3060 56.3810 41.6666 175.3089 17 E 4.2113 6.9376 122.5378 53.1308 30.8368 173.0326 18 P 4.8234 0.0000 0.0000 62.0228 31.9128 177.3232 19 R 4.0938 8.8168 122.9042 57.6524 30.9701 176.7095 20 T 4.5354 7.4952 107.6911 59.0653 70.5673 173.4296 21 P 4.4963 0.0000 0.0000 64.0924 31.6994 176.2546 22 D 4.5086 7.6380 118.1937 55.8440 42.0901 176.0872 23 E 4.7563 7.8273 118.1430 56.0054 31.2281 175.3964 24 L 5.1292 9.2423 123.4135 53.6212 44.0850 174.9615 25 Y 4.5470 8.8981 128.0595 56.9222 39.6688 174.1434 26 F 4.8558 7.1633 119.9568 55.1249 42.1597 173.2104 27 E 4.6281 8.0840 118.1297 53.7307 31.9540 175.7768 28 E 3.8620 8.2336 121.6525 58.3631 30.1085 177.5106 29 G 3.6941 9.3375 116.2685 46.4756 0.0000 173.1545 30 D 4.9402 7.5795 117.0381 51.9854 45.0568 177.2200 31 I 3.9769 8.4923 124.6581 61.6118 38.4365 175.1544 32 I 4.9231 8.7586 126.1996 59.8141 41.8442 174.2577 33 Y 4.7438 8.9772 123.5536 56.7981 39.4624 175.1985 34 I 4.5123 8.5177 127.7258 60.3461 37.2171 176.3289 35 T 4.1266 8.4678 117.7212 62.5927 70.6968 174.8311 36 D 4.7615 7.7500 122.0742 52.9552 41.6104 176.7660 37 M 4.8612 8.0573 126.8907 54.7615 32.9270 177.2861 38 S 4.1628 8.4067 114.9187 60.3057 63.2270 172.8554 39 D 4.9569 8.0427 120.3626 52.4858 41.2702 176.5999 40 T 4.2541 8.7141 122.2384 66.8346 69.1727 175.9123 41 N 4.2076 8.2628 118.3365 55.2675 39.7223 175.2511 42 W 4.6101 7.6630 116.1259 54.6837 31.6306 175.5155 43 W 5.1836 9.2683 124.9035 55.1068 31.6776 175.1107 44 K 5.0191 8.7282 121.7186 55.1495 34.3684 175.1445 45 G 4.8358 8.6380 113.5174 45.9348 0.0000 170.4646 46 T 5.1089 8.5106 114.6193 61.2071 71.7334 173.1530 47 S 4.7233 9.1813 117.2047 56.7383 65.6492 173.5663 48 K 4.1844 7.7834 133.8661 55.5086 31.7332 177.2919 49 G 3.9955 8.4580 118.5258 45.9210 0.0000 172.1487 50 R 4.6754 7.4611 118.4953 54.8477 34.4504 175.1014 51 T 4.8590 7.7809 115.0985 61.3378 71.1330 173.1864 52 G 4.2514 8.4309 113.6240 45.1713 0.0000 170.7941 53 L 5.0217 8.8932 119.7152 54.8670 43.0938 176.7851 54 I 5.3167 9.3392 122.4363 58.8512 41.7835 172.9944 55 P 3.7825 0.0000 0.0000 62.1248 32.3835 176.3025 56 S 3.9090 7.1183 116.9507 58.6105 62.6912 174.7405 57 N 4.7208 7.6105 118.9172 55.1630 41.0363 175.6551 58 Y 4.2669 8.0081 115.3352 60.3000 39.2351 176.5753 59 V 5.2033 7.9711 110.3285 59.6985 34.3627 175.3151 60 A 4.8618 8.4470 121.2014 50.5072 22.6273 174.5603 61 E 2.7107 9.2042 122.2732 56.2339 30.1326 176.5811 62 Q 3.8303 7.2744 124.8967 56.6653 29.4318 177.6143 63 S 4.3149 8.2565 118.2735 57.4184 64.6805 173.8454 64 G 4.0629 7.9740 111.7477 44.4915 0.0000 169.5506 65 P 4.3965 0.0000 0.0000 63.0631 30.0679 177.0287 66 S 4.5836 8.0864 121.2224 58.2315 64.3770 173.5422 67 S 4.4546 8.5176 115.1039 59.8843 64.1502 174.2112 68 G 3.8092 8.1051 111.5321 45.8782 0.0000 172.9171 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 G 8.35 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.41 4.11 0.00 3.86 3.73 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 3 S 8.77 4.60 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.42 0.00 3.86 3.86 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 6 S 8.26 4.56 0.00 4.03 3.86 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 7 G 8.74 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.33 4.29 0.00 1.95 1.85 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.56 7.81 9 V 7.99 4.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.45 0.00 0.00 10 F 9.14 4.75 0.00 2.98 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 11 R 8.14 4.91 0.00 1.88 1.72 0.00 3.05 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 12 A 8.24 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.54 3.81 0.00 1.34 0.49 1.03 0.52 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 14 Y 7.72 4.86 0.00 3.17 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 15 T 8.72 4.17 4.33 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 1.25 0.00 0.00 16 F 7.60 4.09 0.00 1.57 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 6.94 4.21 0.00 1.56 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 18 P 0.00 4.82 0.00 2.18 2.23 0.00 3.08 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.09 0.00 19 R 8.82 4.09 0.00 1.85 2.02 0.00 3.40 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 20 T 7.50 4.54 4.14 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 1.17 0.00 0.00 21 P 0.00 4.50 0.00 2.18 2.18 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 22 D 7.64 4.51 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 4.76 0.00 2.23 2.23 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 2.31 1.81 0.00 24 L 9.24 5.13 0.00 1.72 1.91 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.90 4.55 0.00 2.89 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 26 F 7.16 4.86 0.00 3.02 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 27 E 8.08 4.63 0.00 1.91 1.88 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 2.28 2.10 0.00 28 E 8.23 3.86 0.00 2.05 1.99 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 2.35 2.44 0.00 29 G 9.34 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.58 4.94 0.00 2.83 2.59 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 31 I 8.49 3.98 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.85 0.00 0.00 32 I 8.76 4.92 1.93 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.02 0.87 0.00 0.00 33 Y 8.98 4.74 0.00 3.15 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 34 I 8.52 4.51 1.52 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.43 0.16 0.00 0.00 35 T 8.47 4.13 4.24 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 1.27 0.00 0.00 36 D 7.75 4.76 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.06 4.86 0.00 1.62 1.76 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.81 0.00 38 S 8.41 4.16 0.00 3.86 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 39 D 8.04 4.96 0.00 3.15 2.83 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 40 T 8.71 4.25 4.25 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 1.22 0.00 0.00 41 N 8.26 4.21 0.00 2.62 2.58 0.00 0.00 6.95 7.66 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 42 W 7.66 4.61 0.00 3.20 3.06 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 0.00 0.00 0.00 0.00 43 W 9.27 5.18 0.00 3.32 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 44 K 8.73 5.02 0.00 1.86 1.68 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.41 7.81 45 G 8.64 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.51 5.11 4.27 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 1.24 0.00 0.00 47 S 9.18 4.72 0.00 3.81 3.77 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 48 K 7.78 4.18 0.00 1.80 1.83 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.54 7.81 49 G 8.46 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 50 R 7.46 4.68 0.00 1.96 1.84 0.00 3.15 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 51 T 7.78 4.86 4.27 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 1.29 0.00 0.00 52 G 8.43 4.25 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 0.00 53 L 8.89 5.02 0.00 1.43 1.65 0.55 1.07 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 54 I 9.34 5.32 1.95 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 1.42 1.15 0.70 0.00 0.00 55 P 0.00 3.78 0.00 1.76 1.35 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.44 0.00 56 S 7.12 3.91 0.00 2.72 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 57 N 7.61 4.72 0.00 2.50 2.66 0.00 0.00 6.64 8.04 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 58 Y 8.01 4.27 0.00 3.05 3.35 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 0.00 59 V 7.97 5.20 2.31 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 0.50 0.00 0.00 1.04 0.00 0.00 60 A 8.45 4.86 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 61 E 9.20 2.71 0.00 1.87 1.81 0.00 0.00 0.00 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 1.85 0.00 62 Q 7.27 3.83 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.36 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 63 S 8.26 4.31 0.00 3.69 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.40 0.00 2.17 2.10 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 66 S 8.09 4.58 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.52 4.45 0.00 3.76 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 68 G 8.11 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00