NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3329 8.2649 123.5805 52.2199 19.7793 175.9633 2 T 4.4768 8.2463 119.7188 61.2770 71.4961 173.2863 3 T 4.2109 8.9678 123.1256 63.2980 71.6480 175.5446 4 D 4.3484 8.5761 123.1689 57.5422 40.9605 179.0552 5 A 4.0491 7.9299 120.8837 54.8914 18.2143 179.1545 6 E 3.9245 7.9730 116.9477 59.5679 30.1668 179.2830 7 C 4.4496 8.1818 116.6393 60.0105 40.0889 176.0830 8 L 3.8571 7.7243 119.2144 57.5354 41.1970 179.3632 9 S 4.2976 7.6622 114.1407 60.0474 63.1655 175.1594 10 K 4.2549 7.2533 120.4172 55.5132 32.4202 175.1244 11 P 4.5909 0.0000 0.0000 62.3659 32.3526 175.4043 12 A 4.8041 8.4777 121.7793 51.4974 19.5989 176.6557 13 F 5.0535 8.4252 116.1018 55.1029 41.9605 174.1009 14 D 5.1979 8.5081 119.0959 53.8098 42.2408 175.6331 15 G 4.2519 8.3834 111.5216 46.6842 0.0000 170.3509 16 T 5.6066 8.9007 116.2791 61.9634 71.1378 174.3203 17 L 4.6125 8.6115 123.9767 53.1122 45.7811 176.3852 18 S 4.9796 8.5857 118.3873 56.5905 65.5366 173.0029 19 N 4.2350 8.4426 114.8844 54.5746 35.5403 175.2477 20 V 4.3101 8.2741 118.1737 62.4069 32.7011 175.5645 21 W 5.1424 9.0572 125.0683 54.6989 31.0966 175.0708 22 K 4.7778 8.8625 120.8122 56.0356 33.0493 177.2452 23 E 4.7289 8.9470 122.3164 56.0636 31.4454 174.4885 24 G 3.7151 8.5758 113.4808 46.6097 0.0000 171.3450 25 D 4.3432 8.1792 113.7040 55.0915 39.4445 174.0987 26 S 4.5276 7.5051 114.4700 56.5514 66.0169 172.9662 27 R 4.8958 7.5995 122.2572 54.6596 32.4580 174.7451 28 Y 5.2368 8.3706 119.5845 56.2291 42.3470 174.2585 29 A 4.6755 8.4921 122.3888 50.3130 23.3033 174.3072 30 N 5.4244 9.0000 118.7291 52.2121 40.8346 174.4841 31 F 4.7230 9.4610 128.3308 57.9014 42.4047 173.9809 32 E 3.5368 9.1420 129.2027 57.7896 26.8180 174.5547 33 N 4.3287 8.1873 109.7240 54.1931 36.7804 174.4148 34 C 5.2535 8.0014 115.1567 55.1786 43.9479 173.1229 35 I 4.8741 8.7657 124.7489 60.7398 38.4169 174.5272 36 Y 5.1717 9.2089 125.3446 56.4412 40.9007 174.1973 37 E 4.7875 9.3156 123.6780 54.1761 32.0501 174.6815 38 L 3.5462 7.7377 130.0533 54.6036 42.8112 175.8557 39 S 4.1535 8.4546 120.1811 57.9432 67.0288 173.9190 40 G 3.8969 8.3419 106.6606 45.3929 0.0000 172.7871 41 I 3.9355 8.3389 123.1255 61.1005 37.6148 175.8189 42 G 4.3188 8.6960 114.9035 44.6364 0.0000 172.5271 43 I 4.5842 9.1883 125.3018 59.4944 40.2685 174.6692 44 G 2.8189 7.8533 114.3396 44.1254 0.0000 171.3091 45 Y 4.7115 7.8678 119.6138 55.6945 42.2259 173.9039 46 D 4.5108 9.3434 115.0864 56.2147 38.7163 173.1495 47 N 4.1281 8.9969 112.0425 55.1232 36.8081 173.0019 48 D 4.6411 7.8849 113.2972 55.1487 40.8532 173.5881 49 T 4.6318 7.5583 107.3425 62.4092 69.9452 174.0550 50 S 4.9954 7.9963 118.9316 56.5870 66.2520 172.9284 51 W 5.0516 8.9879 124.4908 54.6814 32.5156 174.1493 52 N 5.5535 9.4048 123.1890 51.3904 40.6337 173.3298 53 G 4.1020 8.2909 115.1552 46.7436 0.0000 171.3064 54 H 4.8852 8.0615 124.2308 54.5814 31.5687 174.6316 55 W 4.9700 8.2959 126.2971 55.2134 31.3591 174.9018 56 T 5.0217 8.5613 122.3054 60.7598 70.7207 172.1501 57 P 4.3708 0.0000 0.0000 63.1324 31.5347 176.1257 58 V 4.4257 8.6583 116.6060 62.6516 34.2150 175.3491 59 R 4.6373 7.5901 114.1655 55.4044 32.8118 173.6985 60 A 4.9138 8.5193 120.5252 50.2474 20.9383 177.4604 61 A 4.2434 8.5139 120.4629 52.2875 18.0729 177.7944 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 A 8.26 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 2 T 8.25 4.48 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 1.23 0.00 0.00 3 T 8.97 4.21 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 1.21 0.00 0.00 4 D 8.58 4.35 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.05 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 6 E 7.97 3.92 0.00 1.98 2.13 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 2.30 2.40 0.00 7 C 8.18 4.45 0.00 3.18 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 8 L 7.72 3.86 0.00 1.80 1.74 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.66 4.30 0.00 4.04 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 10 K 7.25 4.25 0.00 2.06 1.94 0.00 1.77 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.62 7.81 11 P 0.00 4.59 0.00 2.30 2.14 0.00 3.91 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 12 A 8.48 4.80 1.30 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 0.00 0.00 13 F 8.43 5.05 0.00 3.08 3.10 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 14 D 8.51 5.20 0.00 2.64 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 15 G 8.38 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 16 T 8.90 5.61 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 1.36 0.00 0.00 17 L 8.61 4.61 0.00 0.43 0.90 -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.59 4.98 0.00 3.75 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 19 N 8.44 4.23 0.00 2.99 3.03 0.00 0.00 6.84 7.68 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 20 V 8.27 4.31 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.24 0.00 0.00 21 W 9.06 5.14 0.00 3.44 3.33 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 22 K 8.86 4.78 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.50 7.81 23 E 8.95 4.73 0.00 2.19 2.18 0.00 0.00 0.00 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 2.35 0.00 24 G 8.58 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 25 D 8.18 4.34 0.00 2.81 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.51 4.53 0.00 4.21 3.40 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 27 R 7.60 4.90 0.00 1.07 1.41 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.29 0.00 28 Y 8.37 5.24 0.00 1.43 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 0.00 0.00 0.00 0.00 29 A 8.49 4.68 0.70 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 30 N 9.00 5.42 0.00 3.16 2.95 0.00 0.00 6.72 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 31 F 9.46 4.72 0.00 2.97 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 32 E 9.14 3.54 0.00 1.74 1.76 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 1.75 1.47 0.00 33 N 8.19 4.33 0.00 2.90 2.89 0.00 0.00 6.75 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 34 C 8.00 5.25 0.00 3.07 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 35 I 8.77 4.87 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.05 1.11 0.00 0.00 36 Y 9.21 5.17 0.00 2.88 3.12 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 37 E 9.32 4.79 0.00 2.06 1.75 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 1.89 1.53 0.00 38 L 7.74 3.55 0.00 0.27 0.80 -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.45 4.15 0.00 3.69 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 40 G 8.34 3.90 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 0.00 0.00 0.00 41 I 8.34 3.94 1.86 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 1.26 0.54 0.92 0.00 0.00 42 G 8.70 4.32 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 0.00 43 I 9.19 4.58 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.89 0.00 0.00 44 G 7.85 2.82 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 45 Y 7.87 4.71 0.00 2.88 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 46 D 9.34 4.51 0.00 2.73 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 47 N 9.00 4.13 0.00 2.82 2.83 0.00 0.00 7.19 8.47 0.00 0.00 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 D 7.88 4.64 0.00 2.98 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 49 T 7.56 4.63 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 1.37 0.00 0.00 50 S 8.00 5.00 0.00 2.87 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 51 W 8.99 5.05 0.00 3.58 3.12 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 52 N 9.40 5.55 0.00 3.00 2.94 0.00 0.00 6.74 8.77 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 53 G 8.29 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 0.00 0.00 0.00 54 H 8.06 4.89 0.00 3.07 3.02 0.00 5.55 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.30 4.97 0.00 1.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.56 5.02 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 1.25 0.00 0.00 57 P 0.00 4.37 0.00 1.98 1.35 0.00 3.82 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 58 V 8.66 4.43 2.14 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 0.85 0.00 0.00 1.16 0.00 0.00 59 R 7.59 4.64 0.00 2.05 2.02 0.00 2.95 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 60 A 8.52 4.91 1.30 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 0.00 0.00 61 A 8.51 4.24 1.30 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 0.00 0.00