NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3297 8.3044 120.3260 55.3477 33.4054 173.5587 2 E 4.3321 8.5302 120.6111 53.0779 30.0748 170.0295 3 V 4.4031 8.1174 125.1517 59.5618 35.6223 174.5856 4 N 4.5135 8.5055 120.2566 52.7756 38.2855 175.3697 5 Q 3.9148 8.7766 127.9791 58.9310 28.8926 178.0553 6 L 4.1470 8.0406 119.4326 56.9420 41.4882 179.2076 7 G 3.6267 8.6355 107.0683 47.9676 0.0000 174.8326 8 L 4.1931 7.3882 122.6068 58.4009 41.9554 179.0026 9 I 3.6755 7.8351 118.2872 64.7679 37.1130 177.7688 10 A 4.0216 8.3568 121.8147 55.5183 18.2446 179.6868 11 T 3.9207 9.2015 114.4436 65.9964 68.5894 176.6500 12 A 4.1431 8.2978 123.2828 54.8165 18.8981 179.5769 13 L 4.0299 8.0219 117.5221 57.6316 41.3932 179.4731 14 F 3.8531 8.1120 120.2662 61.2549 39.0636 177.0754 15 V 3.8463 7.5763 117.3842 65.8735 30.6262 177.6014 16 L 4.0961 8.0446 118.7411 57.7324 41.8358 178.6398 17 V 3.3631 7.9970 116.2765 66.4560 31.3621 175.9402 18 P 4.2888 0.0000 0.0000 66.3199 30.8004 178.8261 19 S 4.0814 7.2569 110.5345 61.4123 63.0916 176.1704 20 V 3.7425 9.1754 121.1962 66.6420 31.3173 177.3863 21 F 4.0474 8.8735 119.7038 62.0662 39.3996 177.4600 22 L 3.8548 8.4363 118.3173 57.6599 41.1127 179.7778 23 I 3.8524 8.0851 120.4511 64.1823 36.8681 178.4787 24 I 3.6815 7.5324 120.7773 64.3151 36.8835 178.4243 25 L 3.9939 7.5863 119.1917 57.3367 41.3478 178.0098 26 Y 4.3961 7.7534 117.4661 58.9744 38.5502 176.7969 27 V 3.6783 7.1554 118.7697 65.8922 31.8132 177.4544 28 Q 3.9530 7.5844 117.7686 59.2096 28.8229 178.1394 29 T 3.9552 7.3115 115.8611 66.6249 68.6637 173.9388 30 E 4.0200 7.2790 122.0904 56.5632 29.4346 176.7909 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 4.33 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 E 8.53 4.33 0.00 1.99 1.85 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 2.20 2.36 0.00 3 V 8.12 4.40 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 0.78 0.00 0.00 0.92 0.00 0.00 4 N 8.51 4.51 0.00 2.82 2.76 0.00 0.00 6.62 7.12 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 5 Q 8.78 3.91 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 6 L 8.04 4.15 0.00 1.70 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.64 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.39 4.19 0.00 1.89 1.79 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.84 3.68 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.39 0.93 0.00 0.00 10 A 8.36 4.02 1.40 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 0.00 0.00 11 T 9.20 3.92 4.34 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 1.20 0.00 0.00 12 A 8.30 4.14 1.38 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 0.00 0.00 13 L 8.02 4.03 0.00 1.89 1.75 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.11 3.85 0.00 3.22 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 15 V 7.58 3.85 2.35 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 1.02 0.00 0.00 1.05 0.00 0.00 16 L 8.04 4.10 0.00 1.76 1.68 0.94 0.58 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 17 V 8.00 3.36 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 0.94 0.00 0.00 0.91 0.00 0.00 18 P 0.00 4.29 0.00 2.23 2.13 0.00 3.81 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.71 0.00 19 S 7.26 4.08 0.00 4.19 3.99 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 20 V 9.18 3.74 2.36 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 1.12 0.00 0.00 0.96 0.00 0.00 21 F 8.87 4.05 0.00 3.16 3.28 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 22 L 8.44 3.85 0.00 1.77 1.70 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.09 3.85 2.02 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 1.87 1.14 0.94 0.00 0.00 24 I 7.53 3.68 1.84 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 1.51 1.54 0.85 0.00 0.00 25 L 7.59 3.99 0.00 1.53 1.60 0.39 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.75 4.40 0.00 2.89 2.98 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 27 V 7.16 3.68 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 0.94 0.00 0.00 28 Q 7.58 3.95 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 29 T 7.31 3.96 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 30 E 7.28 4.02 0.00 1.77 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 1.87 1.99 0.00