NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1771 8.3149 120.1279 56.0471 33.7468 174.6249 7 K 4.5818 7.9103 121.0654 54.4210 35.6131 173.3429 8 Y 5.3777 8.8667 121.3061 56.4074 43.1210 173.7216 9 A 5.2366 9.2774 122.1510 50.2930 23.5372 174.7710 10 K 4.9763 9.0693 120.6447 54.5661 35.3535 175.1678 11 S 4.7567 8.8130 122.0204 58.1455 63.0710 174.6927 12 K 4.0016 8.7697 126.0483 57.7575 32.7558 175.7775 13 Y 4.9772 7.4015 115.1799 55.9347 42.3320 174.6469 14 D 4.9098 8.8304 119.8817 54.6894 42.2945 176.2073 15 F 4.8691 9.4855 122.6337 56.9965 43.2451 172.9768 16 V 4.3263 7.3698 125.5896 60.4055 32.9902 175.1777 17 A 4.2121 8.3390 131.6054 52.6583 18.7421 177.2730 18 R 4.4092 10.2350 121.4661 56.7291 31.5275 175.7034 19 N 4.9545 7.7140 113.8238 51.1459 40.2585 174.7374 20 S 4.1964 8.7720 112.5164 61.4849 61.9819 175.1757 21 S 4.3706 9.1336 114.8586 60.5878 62.4291 173.7559 22 E 4.7443 7.8472 117.6246 56.1349 30.4345 176.1682 23 L 4.9953 8.8446 122.2446 53.5216 44.8622 176.2593 24 S 4.7922 8.8998 121.8855 58.8305 63.8509 173.8191 25 V 4.7187 9.3272 115.8689 60.2132 36.5614 174.0441 26 M 5.1978 8.9215 121.4987 52.9416 35.3143 175.6434 27 K 3.9244 9.2795 123.0143 58.4708 32.6612 176.9211 28 D 4.5680 9.0017 123.8789 54.5496 39.6057 174.1857 29 D 4.7209 8.0334 120.1335 54.3962 42.0555 175.5642 30 V 4.8966 8.2802 120.4906 60.2035 33.7468 175.0136 31 L 5.0833 9.3800 122.3084 53.0491 46.3784 175.0441 32 E 4.1364 8.8461 123.8788 55.0870 30.8481 175.3311 33 I 3.9597 8.0610 129.1699 61.5510 36.9210 175.6612 34 L 4.2536 8.5716 127.8755 56.1195 43.3064 176.8499 35 D 4.3714 7.5900 119.8099 52.6159 43.8511 174.7147 36 D 4.0593 8.1749 125.3955 53.0258 39.5502 177.7010 37 R 4.1651 8.2300 118.7313 58.1784 30.2577 175.9633 38 R 4.9007 7.7586 115.4402 53.7159 34.2482 174.8330 39 Q 4.2154 8.9631 118.8472 58.8813 29.0140 175.8444 40 W 5.0084 8.3772 117.2509 54.9951 30.5205 176.3288 41 W 5.0029 8.8454 125.4385 55.9525 30.6078 175.4047 42 K 3.9746 8.4213 125.1867 55.5227 32.9031 176.0386 43 V 4.9857 8.7858 120.0147 59.5846 36.8435 174.1593 44 R 5.0751 8.8054 122.4378 54.9398 32.3822 175.1888 45 N 5.1219 8.4272 124.3697 51.0127 40.0223 174.7117 46 A 4.0078 8.7857 119.9854 55.8731 18.2934 179.3610 47 S 4.2023 8.0984 109.2075 59.8402 63.2927 175.2890 48 G 3.9561 8.3253 109.7103 45.1064 0.0000 173.1076 49 D 4.8600 7.9240 119.7970 53.9866 42.8082 174.8759 50 S 5.1072 8.3019 114.5386 56.7021 66.4756 173.4791 51 G 4.1289 8.2080 106.8060 46.7514 0.0000 171.4337 52 F 5.5216 8.3370 117.4141 56.3662 41.1081 175.9009 53 V 4.2432 8.7211 121.6952 59.9641 35.0881 172.8269 54 P 3.3135 0.0000 0.0000 61.9238 31.7217 177.2179 55 N 3.4574 8.1272 119.9833 54.7395 37.2668 176.8725 56 N 4.2145 7.5377 115.7856 54.9416 37.5740 175.4764 57 I 4.2628 7.1596 111.1333 61.0642 38.1794 174.8365 58 L 5.1876 7.8309 121.0240 53.1984 44.8602 175.4090 59 D 4.9793 8.6449 120.5655 52.3134 43.6513 175.6618 60 I 4.3168 8.6922 124.2787 61.4060 38.9699 174.5787 61 M 4.7018 8.9917 128.8043 53.8260 33.5209 175.8199 62 R 4.6832 8.5102 121.8771 54.9859 32.5888 175.5573 63 T 4.6174 8.0890 114.0202 59.7208 70.4678 171.7502 64 P 4.4195 0.0000 0.0000 63.4565 30.9231 175.8828 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 K 8.31 4.18 0.00 1.82 1.60 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 7 K 7.91 4.58 0.00 1.53 1.52 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.62 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.42 7.81 8 Y 8.87 5.38 0.00 2.90 2.80 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 9 A 9.28 5.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.98 0.00 1.79 1.62 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.51 7.81 11 S 8.81 4.76 0.00 3.96 3.84 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 12 K 8.77 4.00 0.00 0.79 0.91 0.00 1.49 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.23 7.81 13 Y 7.40 4.98 0.00 2.83 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 14 D 8.83 4.91 0.00 2.63 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 15 F 9.49 4.87 0.00 3.04 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 16 V 7.37 4.33 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 0.72 0.00 0.00 0.82 0.00 0.00 17 A 8.34 4.21 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 18 R 10.23 4.41 0.00 1.90 2.02 0.00 3.23 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 19 N 7.71 4.95 0.00 2.89 2.89 0.00 0.00 5.88 7.64 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 20 S 8.77 4.20 0.00 3.87 3.98 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 21 S 9.13 4.37 0.00 3.86 3.97 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 22 E 7.85 4.74 0.00 2.26 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 2.56 2.36 0.00 23 L 8.84 5.00 0.00 1.77 1.68 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.90 4.79 0.00 3.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.33 4.72 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.12 0.00 0.00 26 M 8.92 5.20 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 27 K 9.28 3.92 0.00 1.75 1.74 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 28 D 9.00 4.57 0.00 2.84 2.80 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 29 D 8.03 4.72 0.00 2.88 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.28 4.90 2.08 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 0.73 0.00 0.00 0.96 0.00 0.00 31 L 9.38 5.08 0.00 1.61 1.59 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.85 4.14 0.00 1.87 1.69 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 1.93 1.60 0.00 33 I 8.06 3.96 1.57 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.56 0.30 0.00 0.00 34 L 8.57 4.25 0.00 1.49 1.59 0.85 0.84 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 35 D 7.59 4.37 0.00 2.59 2.38 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 36 D 8.17 4.06 0.00 1.58 1.54 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 37 R 8.23 4.17 0.00 1.97 2.07 0.00 3.11 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 38 R 7.76 4.90 0.00 2.21 1.99 0.00 3.50 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 39 Q 8.96 4.22 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.90 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 40 W 8.38 5.01 0.00 3.36 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.85 5.00 0.00 3.25 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 3.97 0.00 0.79 1.29 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.11 0.75 7.81 43 V 8.79 4.99 2.15 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 0.83 0.00 0.00 1.01 0.00 0.00 44 R 8.81 5.08 0.00 1.82 1.72 0.00 3.24 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 45 N 8.43 5.12 0.00 2.99 3.02 0.00 0.00 6.41 6.48 0.00 0.00 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 A 8.79 4.01 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.10 4.20 0.00 4.05 4.04 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 48 G 8.33 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 0.00 0.00 0.00 49 D 7.92 4.86 0.00 2.87 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 5.11 0.00 3.86 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 51 G 8.21 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 0.00 0.00 0.00 0.00 52 F 8.34 5.52 0.00 3.27 3.42 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 53 V 8.72 4.24 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 1.02 0.00 0.00 54 P 0.00 3.31 0.00 1.70 0.63 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.01 0.00 55 N 8.13 3.46 0.00 1.44 1.58 0.00 0.00 6.44 6.52 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 56 N 7.54 4.21 0.00 2.72 2.81 0.00 0.00 6.04 7.81 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 57 I 7.16 4.26 2.03 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 1.24 0.81 0.84 0.00 0.00 58 L 7.83 5.19 0.00 1.21 1.57 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.64 4.98 0.00 2.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.69 4.32 2.09 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 1.39 0.68 1.01 0.00 0.00 61 M 8.99 4.70 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 62 R 8.51 4.68 0.00 1.79 1.84 0.00 3.23 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 63 T 8.09 4.62 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 64 P 0.00 4.42 0.00 2.21 2.05 0.00 3.85 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 2.00 1.99 0.00