NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2528 8.2549 117.2710 56.4190 30.7714 175.5972 11 S 4.0163 8.6530 111.8456 57.9217 62.6631 174.1338 12 G 3.7540 7.7580 111.9099 47.5978 0.0000 176.1056 13 R 4.0666 7.6242 115.2872 58.1420 29.9499 177.5066 14 F 4.9818 7.9769 116.6992 57.8576 40.0855 177.6364 15 G 3.6710 7.6891 110.1724 46.4615 0.0000 174.7911 16 A 4.4226 8.5757 127.7870 52.5366 18.2277 177.4526 17 R 4.2402 7.0992 116.6825 56.7774 32.3606 175.3157 18 Y 4.1824 8.3043 119.0658 57.0209 36.5061 170.9427 19 G 4.0137 8.0785 103.0778 44.4970 0.0000 173.1546 20 R 3.6275 8.4131 113.6614 59.7830 30.0887 179.2954 21 V 3.4596 8.1566 119.1201 66.8324 32.2187 177.2478 22 S 4.1598 8.1644 114.2149 61.7055 62.5426 176.3015 23 R 4.8531 7.5055 115.4577 56.6921 29.9641 177.1122 24 R 4.4060 7.6591 120.8737 58.5696 30.8170 178.4189 25 R 3.9285 8.3874 118.3245 59.2334 30.1630 178.9674 26 V 3.4538 7.6989 117.8092 66.4324 31.3194 177.3263 27 A 4.0177 7.9586 120.2713 54.7337 18.1833 178.9542 28 E 3.9041 8.3629 114.9000 59.4689 29.3204 179.7542 29 I 3.7936 8.7060 120.4208 64.7107 37.3166 178.1242 30 E 4.2369 8.2602 117.8235 58.0578 29.1803 179.1082 31 S 4.1323 8.0889 113.7727 61.0493 62.7592 174.8906 32 E 4.6048 8.7243 120.9031 56.5501 29.5688 177.3238 33 M 4.7549 7.4880 117.8334 58.1426 32.7529 176.6955 34 N 4.9829 7.8361 113.9398 53.5140 39.2551 175.6142 35 E 4.3064 8.0738 119.8378 55.7958 31.6962 174.6227 36 D 5.0444 8.2878 120.4233 53.2309 42.1313 175.7018 37 H 4.8897 8.3104 120.8753 53.8933 31.2525 174.7428 38 A 4.4548 8.5881 123.8670 52.0311 17.4430 176.7820 39 C 4.1143 9.6774 124.5005 59.8696 32.1533 172.8573 40 P 4.1888 0.0000 0.0000 65.7070 30.4381 176.5255 41 N 3.7746 6.6687 112.7499 54.8522 39.8106 177.9241 42 C 4.7325 7.6633 120.4233 57.9529 30.8360 175.0729 43 G 4.0643 8.6146 111.8319 45.3113 0.0000 171.9790 44 E 4.2465 7.9230 120.9219 55.5382 30.5418 176.5632 45 D 5.4454 8.5982 123.9312 54.0764 42.3885 177.9235 46 R 4.1396 7.7199 120.0561 56.0116 29.1965 176.1975 47 V 4.9582 7.8410 118.5790 62.0524 33.3132 174.9317 48 D 5.1376 9.3060 126.6878 52.2781 45.2687 174.9417 49 R 3.1953 8.8102 123.2743 55.8971 30.7370 176.3199 50 Q 4.3877 8.6595 126.1194 55.6785 29.6445 174.4216 51 G 3.5032 7.7293 104.4211 43.8931 0.0000 173.3418 52 T 3.6358 8.1709 117.1371 64.6244 68.1424 175.1495 53 G 4.3810 8.5215 114.5835 46.4504 0.0000 171.7672 54 I 4.4190 6.7509 121.1643 59.2149 39.6452 174.8811 55 W 5.2812 8.3205 124.7655 55.3449 33.9727 173.7097 56 Q 5.6356 8.6569 118.9204 56.6465 32.8364 172.7396 57 C 5.8273 9.0748 125.9573 57.0015 31.8185 173.8581 58 S 4.3247 9.1049 122.1776 61.3896 61.8391 174.9349 59 Y 4.3071 7.5452 122.1144 59.2567 38.1791 175.1430 60 C 4.0991 8.0069 111.6218 57.4676 30.5532 173.9952 61 D 4.5233 8.4959 118.6631 55.7713 38.5842 173.4328 62 Y 4.6306 7.5047 122.5321 56.9711 39.0345 173.7443 63 K 4.9127 8.4688 128.8476 55.4346 33.2177 175.4896 64 F 5.0005 8.8738 122.2216 55.4572 41.9606 173.5310 65 T 4.7267 8.5257 109.3094 61.4214 70.2020 175.0890 66 G 4.4926 7.5186 108.6562 47.2810 0.0000 172.7399 67 G 4.0276 8.0587 111.2983 45.3678 0.0000 174.3270 68 S 3.9738 8.4269 113.1946 60.1238 62.3536 174.1602 69 Y 4.9405 7.8815 115.3326 57.2034 40.5781 175.1158 70 K 4.6452 7.9956 118.2651 53.5457 35.3970 175.1864 71 P 2.9700 0.0000 0.0000 64.1877 31.6662 176.0884 72 E 4.8703 7.5597 116.9776 53.8496 33.5327 175.0817 73 T 4.7122 8.0377 111.6263 58.9389 72.8312 173.2767 74 P 4.3322 0.0000 0.0000 66.1289 31.6124 178.8578 75 G 3.8487 8.1238 103.7975 47.4150 0.0000 175.9199 76 G 3.6972 8.0331 108.0242 47.6917 0.0000 175.9692 77 K 4.1098 8.0835 120.3127 59.2864 31.8770 179.5651 78 T 3.8607 7.6538 116.0905 66.5632 68.1071 176.4152 79 V 3.5868 7.1801 118.4966 66.0443 31.4205 177.5221 80 R 4.0451 7.5642 116.7610 59.2812 30.3957 177.8785 81 R 3.4896 7.3884 111.2145 60.5008 29.9713 176.8523 82 S 4.2914 8.6132 119.6094 59.1208 62.8845 174.9442 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 10 R 8.25 4.25 0.00 1.91 1.08 0.00 3.00 0.00 0.00 3.22 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 11 S 8.65 4.02 0.00 4.12 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 0.00 12 G 7.76 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 13 R 7.62 4.07 0.00 1.89 1.98 0.00 2.87 0.00 0.00 3.01 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.26 0.00 14 F 7.98 4.98 0.00 3.48 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 3.67 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 0.00 0.00 0.00 16 A 8.58 4.42 1.23 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 0.00 0.00 17 R 7.10 4.24 0.00 0.67 0.66 0.00 2.94 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.28 0.00 18 Y 8.30 4.18 0.00 3.02 2.93 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 19 G 8.08 4.01 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 0.00 0.00 0.00 20 R 8.41 3.63 0.00 1.90 1.84 0.00 3.18 0.00 0.00 3.27 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 21 V 8.16 3.46 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 1.10 0.00 0.00 0.94 0.00 0.00 22 S 8.16 4.16 0.00 3.89 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 23 R 7.51 4.85 0.00 2.42 2.36 0.00 3.42 0.00 0.00 3.50 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.75 0.00 24 R 7.66 4.41 0.00 1.99 2.03 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 25 R 8.39 3.93 0.00 1.85 1.92 0.00 3.17 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 26 V 7.70 3.45 2.29 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 1.10 0.00 0.00 1.23 0.00 0.00 27 A 7.96 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.90 0.00 2.18 2.03 0.00 0.00 0.00 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 2.38 0.00 29 I 8.71 3.79 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.51 0.00 0.00 30 E 8.26 4.24 0.00 2.11 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 2.31 2.41 0.00 31 S 8.09 4.13 0.00 3.94 4.02 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 0.00 0.00 0.00 0.00 32 E 8.72 4.60 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 33 M 7.49 4.75 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.62 0.00 34 N 7.84 4.98 0.00 2.83 2.86 0.00 0.00 7.15 7.67 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 35 E 8.07 4.31 0.00 2.01 1.91 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 2.54 2.49 0.00 36 D 8.29 5.04 0.00 2.51 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 37 H 8.31 4.89 0.00 3.08 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.59 4.45 1.23 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 0.00 0.00 39 C 9.68 4.11 0.00 3.17 2.93 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 40 P 0.00 4.19 0.00 1.87 1.92 0.00 3.15 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.76 0.00 41 N 6.67 3.77 0.00 2.17 2.60 0.00 0.00 7.18 7.53 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 42 C 7.66 4.73 0.00 3.18 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 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 44 E 7.92 4.25 0.00 2.07 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 0.00 1.74 2.22 0.00 45 D 8.60 5.45 0.00 2.63 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 46 R 7.72 4.14 0.00 1.89 2.04 0.00 2.92 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 47 V 7.84 4.96 2.36 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 1.16 0.00 0.00 1.20 0.00 0.00 48 D 9.31 5.14 0.00 2.65 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 49 R 8.81 3.20 0.00 0.96 1.43 0.00 2.86 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 50 Q 8.66 4.39 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.15 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 51 G 7.73 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.17 3.64 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 1.06 0.00 0.00 53 G 8.52 4.38 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 0.00 54 I 6.75 4.42 1.61 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.00 0.73 0.00 0.00 55 W 8.32 5.28 0.00 1.81 2.77 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 56 Q 8.66 5.64 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 57 C 9.07 5.83 0.00 3.30 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 58 S 9.10 4.32 0.00 4.08 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.55 4.31 0.00 2.91 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 60 C 8.01 4.10 0.00 2.99 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 61 D 8.50 4.52 0.00 2.84 2.84 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 62 Y 7.50 4.63 0.00 3.25 3.02 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 0.00 0.00 0.00 0.00 63 K 8.47 4.91 0.00 1.80 1.66 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.44 7.81 64 F 8.87 5.00 0.00 2.96 2.20 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 0.00 65 T 8.53 4.73 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 1.22 0.00 0.00 66 G 7.52 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 3.97 0.00 3.57 3.15 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 69 Y 7.88 4.94 0.00 3.22 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 70 K 8.00 4.65 0.00 1.86 1.55 0.00 1.79 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.51 7.81 71 P 0.00 2.97 0.00 1.85 0.89 0.00 3.12 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.36 0.00 72 E 7.56 4.87 0.00 1.84 1.79 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 2.16 2.17 0.00 73 T 8.04 4.71 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 74 P 0.00 4.33 0.00 2.05 2.19 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 75 G 8.12 3.85 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 0.00 0.00 0.00 76 G 8.03 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 0.00 0.00 0.00 77 K 8.08 4.11 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.66 7.81 78 T 7.65 3.86 4.45 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 1.21 0.00 0.00 79 V 7.18 3.59 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 0.84 0.00 0.00 0.97 0.00 0.00 80 R 7.56 4.05 0.00 1.94 1.97 0.00 3.36 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 81 R 7.39 3.49 0.00 1.95 1.81 0.00 3.17 0.00 0.00 3.27 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 S 8.61 4.29 0.00 3.97 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