NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0941 7.9133 120.3104 61.8586 32.6849 174.9704 6 R 4.6261 8.3403 116.8712 55.4210 29.8660 175.9142 7 I 4.5981 7.7707 115.5830 60.6368 42.1660 174.4592 8 K 4.5973 7.2671 121.1533 56.0750 32.6938 175.4295 9 L 4.0001 7.6916 116.6680 54.9778 41.5360 175.8009 10 L 4.9663 8.4430 122.1513 54.7998 41.6025 175.5288 11 L 5.5526 8.2063 121.0296 53.5210 44.4773 174.3709 12 E 4.9056 8.3979 116.2085 55.2371 34.6445 174.6566 13 C 5.2249 8.6858 117.2177 58.3736 31.9687 173.1343 14 T 4.6373 8.5696 119.3580 59.0494 68.3618 173.1990 15 E 3.7145 8.6332 130.0870 56.6910 30.3145 177.7345 16 C 4.3028 8.2591 122.0899 60.8136 29.1320 172.8622 17 K 3.6553 8.5905 115.8023 59.7235 28.8996 175.9337 18 R 3.0569 8.8354 114.0341 57.5796 30.1988 175.9987 19 R 2.9890 9.0370 116.8038 58.1681 29.8403 171.8829 20 N 4.6108 8.7533 120.4870 53.8736 38.5736 173.3091 21 Y 5.6129 8.6604 116.8331 55.9436 42.0818 173.8030 22 A 4.3940 8.4793 118.5510 52.9796 22.6086 172.9006 23 T 3.7131 8.3905 113.5817 61.3427 69.7580 170.3912 24 E 4.6667 9.9526 127.5746 54.9833 33.9137 173.7883 25 K 4.8208 8.5871 121.3157 54.7056 35.3081 175.8697 26 N 4.9176 9.2854 123.7205 52.0550 40.8382 175.5366 27 K 5.2895 9.3896 129.1615 60.2442 35.3010 180.5607 28 R 3.0654 7.0264 113.0301 57.4807 32.2208 177.2219 29 N 4.4144 7.8482 121.0562 55.9618 38.2548 175.7332 30 T 4.0123 8.2735 113.5140 60.9927 67.9890 169.1865 31 P 4.3943 0.0000 0.0000 61.7353 30.8604 174.0511 32 N 4.7819 9.0670 116.6626 52.2125 43.2527 173.3911 33 K 4.2847 8.4413 122.7459 56.7259 34.1528 175.9243 34 L 4.1331 7.4701 115.7182 53.7233 44.6445 173.3194 35 E 4.0517 8.4829 127.7726 57.0429 30.9711 175.8697 36 L 4.5678 8.1546 122.9945 55.1137 44.2756 173.5337 37 R 4.6004 8.6462 121.1814 54.6309 32.6020 174.6603 38 K 4.2073 8.8621 122.3973 58.0967 32.5905 175.0434 39 Y 4.5236 8.9924 123.0185 57.1283 43.3369 172.8891 40 C 5.0910 8.5354 121.4774 57.3625 32.9558 171.8274 41 P 4.8140 0.0000 0.0000 61.2582 32.8935 175.6283 42 W 5.2758 8.7304 125.3936 58.0407 30.3191 175.1202 43 C 4.6963 7.7846 114.1268 59.7833 31.3184 174.0416 44 R 4.2612 8.8185 123.4671 56.5606 26.7710 174.6191 45 K 4.8695 8.1029 124.6766 56.5344 34.4194 174.9898 46 H 4.6425 8.6582 118.4931 57.3279 29.7627 174.7858 47 T 4.5792 8.9189 116.8639 61.1330 69.3099 172.8552 48 V 3.7766 7.7295 112.4325 59.3926 32.2048 172.6336 49 H 4.6109 8.6188 125.0075 56.9163 27.4069 174.1501 50 R 4.7889 8.0276 120.3124 53.6143 32.4067 174.8307 51 E 5.0108 8.5697 122.3920 56.8433 30.3567 176.0494 52 V 4.2065 8.6291 122.8388 60.4733 34.5126 173.9624 53 K 3.7134 9.0125 122.8613 57.1702 32.5410 174.0593 54 I 3.9097 8.2056 108.9010 60.8709 37.5833 175.7749 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 5 V 7.91 4.09 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 0.85 0.00 0.00 0.93 0.00 0.00 6 R 8.34 4.63 0.00 1.88 1.97 0.00 3.23 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 7 I 7.77 4.60 1.87 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 1.30 0.59 0.91 0.00 0.00 8 K 7.27 4.60 0.00 1.80 1.73 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.37 7.81 9 L 7.69 4.00 0.00 1.72 1.81 0.92 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.44 4.97 0.00 1.81 1.69 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.21 5.55 0.00 1.69 1.80 0.94 0.75 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 12 E 8.40 4.91 0.00 2.17 2.12 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 2.20 2.24 0.00 13 C 8.69 5.22 0.00 2.75 2.76 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 0.00 0.00 0.00 14 T 8.57 4.64 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 15 E 8.63 3.71 0.00 1.63 1.71 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 2.20 2.30 0.00 16 C 8.26 4.30 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 3.66 0.00 2.04 1.87 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.45 7.81 18 R 8.84 3.06 0.00 1.79 1.80 0.00 3.41 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 19 R 9.04 2.99 0.00 1.89 1.95 0.00 3.42 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 20 N 8.75 4.61 0.00 2.89 2.91 0.00 0.00 6.61 7.48 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 21 Y 8.66 5.61 0.00 2.81 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 22 A 8.48 4.39 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.39 3.71 4.22 0.00 0.00 0.00 0.00 0.00 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 24 E 9.95 4.67 0.00 1.81 1.80 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 2.08 2.24 0.00 25 K 8.59 4.82 0.00 1.68 1.60 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.41 7.81 26 N 9.29 4.92 0.00 2.81 2.01 0.00 0.00 7.06 5.96 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 27 K 9.39 5.29 0.00 1.82 1.77 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.28 7.81 28 R 7.03 3.07 0.00 1.91 2.20 0.00 3.26 0.00 0.00 3.27 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 29 N 7.85 4.41 0.00 2.81 2.94 0.00 0.00 5.93 7.71 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 30 T 8.27 4.01 4.31 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 0.00 0.00 0.00 1.21 0.00 0.00 31 P 0.00 4.39 0.00 2.08 2.03 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 32 N 9.07 4.78 0.00 2.95 2.74 0.00 0.00 6.63 8.33 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 33 K 8.44 4.28 0.00 1.67 1.77 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 34 L 7.47 4.13 0.00 1.58 1.49 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.48 4.05 0.00 2.29 1.80 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 2.28 2.30 0.00 36 L 8.15 4.57 0.00 1.62 1.51 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.65 4.60 0.00 1.81 1.86 0.00 3.21 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 38 K 8.86 4.21 0.00 1.82 1.80 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.68 7.81 39 Y 8.99 4.52 0.00 2.73 2.54 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 40 C 8.54 5.09 0.00 2.78 2.76 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 0.00 0.00 0.00 41 P 0.00 4.81 0.00 2.43 2.31 0.00 4.06 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.09 0.00 42 W 8.73 5.28 0.00 3.24 3.09 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 0.00 0.00 0.00 0.00 43 C 7.78 4.70 0.00 2.98 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 44 R 8.82 4.26 0.00 1.99 1.91 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 45 K 8.10 4.87 0.00 1.71 1.68 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.42 7.81 46 H 8.66 4.64 0.00 3.17 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.92 4.58 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 48 V 7.73 3.78 2.10 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 0.78 0.00 0.00 0.91 0.00 0.00 49 H 8.62 4.61 0.00 3.64 3.47 0.00 6.03 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.03 4.79 0.00 1.83 1.98 0.00 2.97 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 51 E 8.57 5.01 0.00 2.04 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 0.00 2.34 2.13 0.00 52 V 8.63 4.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.00 0.00 0.00 53 K 9.01 3.71 0.00 1.91 1.54 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.45 7.81 54 I 8.21 3.91 1.85 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 1.21 0.69 0.88 0.00 0.00