NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9226 8.3544 109.7361 45.7188 0.0000 172.5569 2 S 4.2851 7.8527 114.6142 59.0081 64.3053 172.7591 3 S 4.5077 7.9475 113.2707 57.7186 64.8574 173.5551 4 G 4.2776 8.0515 122.4266 45.1621 0.0000 176.7894 5 S 4.5583 8.5601 125.4252 55.9269 62.9726 173.9652 6 S 4.1415 8.5077 121.9703 59.1217 63.0534 174.1116 7 G 4.1021 7.9112 111.0859 45.5662 0.0000 172.1970 8 T 4.4786 7.8995 114.8118 62.4714 71.8426 173.6870 9 G 3.8167 8.7799 113.6392 45.5835 0.0000 171.8517 10 E 4.0471 8.3253 125.3314 55.2466 30.4604 176.9601 11 K 4.0754 8.6275 125.5472 56.2060 32.7133 175.3872 12 P 4.2470 0.0000 0.0000 65.1449 31.8240 176.0406 13 Y 4.8362 7.7148 116.6860 56.6118 39.8987 175.3307 14 S 5.1147 8.5865 117.9929 57.3249 67.5054 173.8086 15 C 4.6065 9.3900 125.4564 57.7889 31.6612 173.4612 16 N 5.2817 8.4320 128.5412 53.4015 37.5513 175.9157 17 V 4.1956 7.9244 116.9895 65.3233 33.8361 174.9509 18 C 4.5533 9.0717 110.8994 60.5088 31.5237 172.2921 19 G 3.0978 7.2814 106.5655 44.4279 0.0000 170.9546 20 K 4.7137 8.3460 124.2596 55.1279 37.0693 174.5030 21 A 5.2320 7.6058 121.6591 50.7356 22.2906 175.4455 22 F 4.7788 9.1489 116.5581 56.5095 43.4850 176.2813 23 V 3.7373 8.8953 122.1517 65.2348 31.5223 175.9690 24 L 4.6197 7.6126 118.2597 52.9053 44.3612 177.1933 25 S 2.7900 7.6500 112.2895 60.9425 62.3205 175.3787 26 A 3.8255 7.6569 122.9120 55.6942 17.5678 179.1636 27 H 4.1321 7.7376 113.8539 58.8174 28.8098 177.6101 28 L 2.0000 6.7125 121.6603 57.4829 41.7250 178.4737 29 N 4.1370 7.8606 116.4419 56.7155 38.3218 177.0549 30 Q 3.9394 7.5481 117.5676 59.4936 28.9833 178.8544 31 H 4.2948 7.7530 118.4269 59.4369 30.1083 177.3474 32 L 3.8575 8.1203 121.1992 57.8442 41.2922 179.7039 33 R 3.8346 7.6289 118.1325 59.7199 29.9100 179.1629 34 V 3.5864 7.5973 110.4547 64.2146 31.5089 177.6227 35 H 4.7229 7.2769 114.1557 57.5617 30.2475 177.0397 36 T 4.3331 8.1347 113.9397 61.5579 66.6474 174.0085 37 Q 4.5356 7.5343 120.5278 53.7534 32.3030 174.0675 38 E 4.0652 8.7495 124.2405 57.0688 29.6003 176.1079 39 T 4.3669 8.0058 116.3505 61.4472 70.4977 172.7950 40 L 4.5235 8.2618 127.6319 54.6572 41.6169 176.0150 41 S 4.5876 7.8561 114.9732 59.4991 64.4709 172.9969 42 G 4.0212 7.2871 106.3982 44.4236 0.0000 169.8493 43 P 4.2977 0.0000 0.0000 62.6680 31.7908 176.5161 44 S 4.5977 8.4109 117.9553 57.1458 64.4920 173.8703 45 S 4.4116 8.6961 113.7858 57.9479 63.6766 174.6259 46 G 3.6736 7.0661 113.9600 46.2567 0.0000 171.9456 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 G 8.35 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.85 4.29 0.00 3.90 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 3 S 7.95 4.51 0.00 3.87 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 4 G 8.05 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 0.00 0.00 0.00 0.00 5 S 8.56 4.56 0.00 3.96 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 6 S 8.51 4.14 0.00 3.87 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 7 G 7.91 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 8 T 7.90 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 1.21 0.00 0.00 9 G 8.78 3.82 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 10 E 8.33 4.05 0.00 1.94 1.86 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 2.29 2.33 0.00 11 K 8.63 4.08 0.00 1.81 2.06 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.59 7.81 12 P 0.00 4.25 0.00 1.57 2.00 0.00 3.86 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 2.06 1.97 0.00 13 Y 7.71 4.84 0.00 3.19 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 14 S 8.59 5.11 0.00 3.77 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 15 C 9.39 4.61 0.00 3.40 3.18 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 0.00 0.00 0.00 16 N 8.43 5.28 0.00 2.87 2.92 0.00 0.00 6.02 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 17 V 7.92 4.20 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.92 0.00 0.00 18 C 9.07 4.55 0.00 3.15 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 19 G 7.28 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 0.00 0.00 0.00 20 K 8.35 4.71 0.00 1.88 1.71 0.00 1.42 0.00 0.00 1.37 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.40 1.05 7.81 21 A 7.61 5.23 1.09 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 0.00 0.00 22 F 9.15 4.78 0.00 3.11 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 23 V 8.90 3.74 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 0.97 0.00 0.00 1.00 0.00 0.00 24 L 7.61 4.62 0.00 1.34 1.32 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.65 2.79 0.00 3.62 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.66 3.83 1.20 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 0.00 0.00 27 H 7.74 4.13 0.00 3.20 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 6.71 2.00 0.00 1.12 1.46 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.86 4.14 0.00 2.79 2.77 0.00 0.00 6.97 6.96 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 30 Q 7.55 3.94 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 31 H 7.75 4.29 0.00 3.32 3.25 0.00 5.82 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 32 L 8.12 3.86 0.00 1.79 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.63 3.83 0.00 1.89 1.96 0.00 3.24 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.93 0.00 34 V 7.60 3.59 1.97 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 0.68 0.00 0.00 0.45 0.00 0.00 35 H 7.28 4.72 0.00 3.22 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.13 4.33 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 1.25 0.00 0.00 37 Q 7.53 4.54 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 38 E 8.75 4.07 0.00 1.99 1.90 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 2.31 2.24 0.00 39 T 8.01 4.37 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 1.26 0.00 0.00 40 L 8.26 4.52 0.00 1.64 1.60 0.92 0.86 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 41 S 7.86 4.59 0.00 3.85 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 42 G 7.29 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 0.00 0.00 0.00 43 P 0.00 4.30 0.00 2.19 2.08 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 44 S 8.41 4.60 0.00 4.00 3.93 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 45 S 8.70 4.41 0.00 4.03 4.16 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 46 G 7.07 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