NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4664 8.3049 120.2693 55.2571 34.1869 173.7785 2 K 4.1469 8.6892 121.3037 53.1512 32.9670 176.2185 3 R 4.4971 9.5552 130.1452 54.0135 31.0151 179.1971 4 L 3.7175 9.0211 109.0087 55.3673 39.0796 173.9288 5 G 4.0150 6.9934 115.6523 44.9358 0.0000 169.8424 6 K 3.7683 8.8089 127.2159 55.5839 29.6034 174.7422 7 V 3.8422 8.3298 125.0839 62.9016 32.0188 176.5004 8 L 4.2305 9.2000 129.3258 57.8044 42.3888 176.3128 9 H 4.4863 7.5084 111.7798 55.7503 31.6292 172.6901 10 Y 5.2416 8.3385 119.8840 55.2156 39.0220 173.4228 11 A 3.9581 8.5462 126.6106 51.8944 19.0247 178.3107 12 K 3.7174 8.8936 122.6554 59.5906 32.2635 177.4677 13 Q 4.1858 7.8869 114.7921 56.3712 28.7725 175.9623 14 G 3.6855 8.7595 106.6658 46.2831 0.0000 173.5312 15 F 5.0160 7.3911 115.3552 55.3632 44.1584 173.9762 16 L 5.0556 9.3440 122.4249 54.0794 43.2972 175.6226 17 I 4.9777 8.5206 125.1623 59.7331 39.4328 175.0063 18 V 4.6599 8.6052 125.9624 61.0720 34.9824 174.0821 19 R 4.5253 8.4348 126.8895 55.5710 31.7452 174.7137 20 T 4.6688 8.4661 118.7215 60.8997 71.6837 173.2833 21 N 5.2080 8.6732 117.7534 51.1029 37.6618 173.9915 22 W 5.0938 8.1818 127.1010 56.0886 33.8854 174.8996 23 V 3.6834 8.2187 124.3215 60.4363 30.6806 173.9561 24 P 4.2842 0.0000 0.0000 61.9794 33.2357 175.4184 25 S 4.8261 8.2873 112.4141 56.6835 65.8391 173.5895 26 L 4.2291 8.1661 121.6830 56.0670 41.9078 177.4296 27 N 4.4477 8.9712 118.1478 53.7346 37.0792 174.5428 28 D 4.6544 7.4836 118.0190 54.3717 42.3595 175.9983 29 R 4.6821 8.7338 121.3851 56.2162 31.7516 175.4411 30 V 5.0245 9.0147 123.2841 61.3412 34.3846 174.7808 31 V 4.8897 8.9830 120.0802 59.7681 36.8651 175.1526 32 D 4.9265 8.3347 121.4824 52.0905 41.5467 176.9033 33 K 3.9004 8.7160 117.0100 59.4411 32.7121 177.5813 34 R 4.3284 8.1476 117.2959 55.3538 30.0925 175.8918 35 L 3.7797 7.8024 116.0994 55.8874 39.6944 175.9320 36 Q 4.0024 9.1031 119.0034 56.5067 28.8700 172.3619 37 F 3.9809 8.1576 127.8937 57.7332 39.7020 173.9108 38 V 3.4210 8.2813 128.5128 64.2547 32.6468 175.1989 39 G 4.4142 6.3030 104.7658 46.4236 0.0000 171.4100 40 I 5.2446 7.8602 112.8346 58.6372 41.0785 175.3587 41 V 4.0427 8.7112 125.1671 63.4978 32.0837 175.9541 42 K 4.6411 8.8174 126.7455 55.7947 33.9253 175.0597 43 D 4.5406 7.4984 115.8222 54.3071 44.4305 174.4651 44 V 4.9899 8.4982 123.4352 61.4083 34.7567 174.2135 45 F 4.7083 8.8615 121.4979 56.8835 41.6257 173.3396 46 G 3.9631 8.9963 106.3138 43.8528 0.0000 170.8952 47 P 4.3925 0.0000 0.0000 62.4011 31.7058 177.7273 48 V 3.6477 8.4406 121.2413 64.6440 31.7938 177.7801 49 K 4.1305 8.1461 119.9413 59.1035 32.2725 175.7227 50 M 5.4260 7.5550 117.2516 51.8062 31.6297 173.0175 51 P 4.5871 0.0000 0.0000 62.2786 33.8506 175.3752 52 Y 4.6650 8.6917 118.7099 56.3926 40.6907 175.1001 53 V 4.6180 8.4825 120.7697 61.1318 35.4148 174.1089 54 A 5.1978 9.2268 130.1989 50.5932 20.6782 175.5559 55 I 4.4840 9.1114 124.5566 60.9265 39.0741 175.6996 56 K 4.4432 9.3327 130.0250 55.3336 32.7261 174.2757 57 P 4.4574 0.0000 0.0000 62.4524 31.7163 176.3633 58 K 4.5556 8.6231 125.0227 56.2349 32.0843 176.0950 59 V 4.3162 7.5286 111.8914 59.3129 33.2060 177.1193 60 S 4.3034 8.5388 116.7000 61.4109 62.7595 174.1547 61 N 4.5935 7.3725 119.5114 51.8483 40.5225 173.2349 62 P 4.6358 0.0000 0.0000 62.4202 31.2068 179.3225 63 E 3.8520 8.4604 113.6183 57.3383 28.6063 175.2198 64 I 3.8124 7.6630 117.9951 63.3068 38.3722 175.9358 65 Y 4.4165 7.7141 115.8539 58.2811 37.9987 175.4552 66 V 3.9891 7.5489 114.6794 62.5551 32.0688 176.6717 67 G 3.9668 9.2132 112.6496 45.4919 0.0000 172.7024 68 E 4.7376 7.9511 120.0467 54.1917 31.7788 175.7796 69 V 4.1663 8.5425 124.5410 63.0746 32.5455 174.9846 70 L 5.1314 8.3024 126.1586 53.2757 45.6163 174.6734 71 Y 5.4159 9.4691 118.2816 56.3260 43.0647 174.4060 72 V 5.3175 9.3559 120.0743 60.1992 34.4590 175.0817 73 D 4.6700 8.9266 126.5490 53.6451 39.3075 176.3345 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 M 8.30 4.47 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 2 K 8.69 4.15 0.00 1.83 0.96 0.00 1.82 0.00 0.00 1.38 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.18 1.52 7.81 3 R 9.56 4.50 0.00 1.53 1.28 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 4 L 9.02 3.72 0.00 2.28 1.92 1.40 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 5 G 6.99 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 6 K 8.81 3.77 0.00 1.89 1.91 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.41 7.81 7 V 8.33 3.84 2.33 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 0.92 0.00 0.00 1.03 0.00 0.00 8 L 9.20 4.23 0.00 1.51 1.78 1.03 1.10 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 9 H 7.51 4.49 0.00 3.21 3.45 0.00 5.42 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.34 5.24 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 11 A 8.55 3.96 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 12 K 8.89 3.72 0.00 1.69 1.83 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 13 Q 7.89 4.19 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.03 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 14 G 8.76 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 15 F 7.39 5.02 0.00 2.96 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 16 L 9.34 5.06 0.00 1.64 1.68 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.52 4.98 1.73 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 1.05 0.00 0.00 18 V 8.61 4.66 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 1.02 0.00 0.00 0.92 0.00 0.00 19 R 8.43 4.53 0.00 1.59 1.62 0.00 2.48 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.00 20 T 8.47 4.67 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 1.02 0.00 0.00 21 N 8.67 5.21 0.00 2.84 2.84 0.00 0.00 6.08 8.88 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 22 W 8.18 5.09 0.00 3.11 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 23 V 8.22 3.68 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 0.79 0.00 0.00 0.87 0.00 0.00 24 P 0.00 4.28 0.00 1.89 0.88 0.00 3.24 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.41 0.00 25 S 8.29 4.83 0.00 4.34 3.79 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 26 L 8.17 4.23 0.00 1.65 1.62 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.97 4.45 0.00 2.91 3.01 0.00 0.00 6.99 8.43 0.00 0.00 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 D 7.48 4.65 0.00 2.90 2.67 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 29 R 8.73 4.68 0.00 2.08 2.09 0.00 2.97 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 30 V 9.01 5.02 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 0.97 0.00 0.00 1.01 0.00 0.00 31 V 8.98 4.89 2.17 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 1.01 0.00 0.00 1.04 0.00 0.00 32 D 8.33 4.93 0.00 3.03 2.95 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 33 K 8.72 3.90 0.00 1.83 2.09 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.49 7.81 34 R 8.15 4.33 0.00 1.98 2.02 0.00 3.54 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 35 L 7.80 3.78 0.00 1.81 1.76 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 9.10 4.00 0.00 2.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.89 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 37 F 8.16 3.98 0.00 3.13 3.14 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 0.00 38 V 8.28 3.42 1.63 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 0.47 0.00 0.00 -0.12 0.00 0.00 39 G 6.30 4.41 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 0.00 40 I 7.86 5.24 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 1.17 0.00 0.00 41 V 8.71 4.04 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 0.95 0.00 0.00 0.97 0.00 0.00 42 K 8.82 4.64 0.00 1.93 2.07 0.00 2.14 0.00 0.00 2.48 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 43 D 7.50 4.54 0.00 2.62 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 44 V 8.50 4.99 2.06 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 0.80 0.00 0.00 0.84 0.00 0.00 45 F 8.86 4.71 0.00 3.09 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 46 G 9.00 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 47 P 0.00 4.39 0.00 2.22 2.21 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 48 V 8.44 3.65 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 0.75 0.00 0.00 0.93 0.00 0.00 49 K 8.15 4.13 0.00 1.87 1.87 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.48 7.81 50 M 7.56 5.43 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 51 P 0.00 4.59 0.00 1.96 2.12 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 52 Y 8.69 4.66 0.00 1.43 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 0.00 0.00 0.00 53 V 8.48 4.62 1.95 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 0.86 0.00 0.00 0.66 0.00 0.00 54 A 9.23 5.20 1.24 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 0.00 0.00 55 I 9.11 4.48 1.91 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 1.26 0.78 0.91 0.00 0.00 56 K 9.33 4.44 0.00 2.01 1.95 0.00 1.15 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 1.42 7.81 57 P 0.00 4.46 0.00 2.00 1.97 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 58 K 8.62 4.56 0.00 1.66 1.71 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.51 7.81 59 V 7.53 4.32 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 0.87 0.00 0.00 0.97 0.00 0.00 60 S 8.54 4.30 0.00 3.97 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 61 N 7.37 4.59 0.00 2.78 2.68 0.00 0.00 7.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.64 0.00 1.72 1.87 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.51 0.00 63 E 8.46 3.85 0.00 1.98 2.07 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 1.98 1.48 0.00 64 I 7.66 3.81 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.28 0.39 0.00 0.00 65 Y 7.71 4.42 0.00 3.07 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 3.99 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 0.78 0.00 0.00 1.04 0.00 0.00 67 G 9.21 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 0.00 0.00 0.00 68 E 7.95 4.74 0.00 2.26 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 2.45 2.42 0.00 69 V 8.54 4.17 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 0.31 0.00 0.00 0.93 0.00 0.00 70 L 8.30 5.13 0.00 1.53 1.47 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 9.47 5.42 0.00 2.89 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 72 V 9.36 5.32 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 1.58 0.00 0.00 1.19 0.00 0.00 73 D 8.93 4.67 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00