NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.2433 8.1749 117.3142 63.5644 69.8485 172.7881 1G F 4.8242 8.2460 122.3887 55.9916 42.9709 171.5697 1F G 4.2191 8.8303 112.0747 43.5058 0.0000 171.4428 1E A 4.1699 7.7439 119.1580 52.4650 22.5911 174.9966 1D G 4.0237 8.3532 106.3361 44.2568 0.0000 172.7465 1C E 4.1159 8.7149 117.5202 56.7322 30.8725 174.4534 1B A 4.7245 7.8520 126.3833 51.3988 18.6778 178.4646 1A D 4.5167 8.9246 117.9069 57.2798 41.7511 174.1778 1 C 4.5586 8.5381 116.7027 58.7382 31.7773 175.1494 2 G 3.9617 8.8554 107.6468 45.5558 0.0000 173.4202 3 L 4.5902 7.6503 120.0954 52.9344 43.0159 176.7957 4 R 4.2584 9.0194 123.6913 55.4253 31.0381 175.9508 5 P 4.2248 0.0000 0.0000 66.0735 31.5773 178.4108 6 L 4.1459 7.7326 114.3750 54.8114 42.2230 177.1876 7 F 4.7167 8.3283 115.6564 58.0128 41.0673 176.6445 8 E 4.0656 9.6316 124.7174 60.2436 30.2371 179.8994 9 K 4.1078 7.8523 115.5469 58.5964 32.2296 178.0655 10 K 4.1965 8.0560 115.8214 55.9050 32.3699 176.6315 11 Q 3.5948 7.9602 116.8508 56.5788 26.8773 173.7636 12 V 4.3274 7.6425 116.5835 60.4735 33.1193 175.1314 13 Q 4.8119 8.4264 120.1156 54.0454 31.0377 175.3546 14 D 4.6647 8.8849 120.6692 53.6561 40.1594 179.0249 14A Q 3.2825 7.4036 119.6879 57.7412 29.8357 178.9066 14B T 4.2271 7.8342 106.6524 62.5883 69.2708 176.0123 14C E 3.8075 8.4157 123.5060 59.7208 29.5264 178.3929 14D K 4.2852 8.0516 117.9771 58.4340 32.2570 178.5687 14E E 3.9169 8.3642 119.4406 59.6053 29.4760 178.9125 14F L 3.5690 7.3995 118.9618 57.6348 41.6537 179.6004 14G F 4.4202 7.8424 117.0155 60.8012 38.5643 177.1396 14H E 4.0377 8.3156 119.0320 59.3641 29.0852 179.0284 14I S 4.1450 7.9153 113.7950 61.2010 63.2710 176.0431 14J Y 4.4471 7.5961 120.7032 61.0821 37.6039 178.0264 14K I 4.0187 7.6307 110.4707 62.8979 38.0299 176.4578 14L E 4.3385 7.8395 119.2501 57.0402 29.7906 176.6401 14M G 4.2139 7.8605 109.3682 45.8175 0.0000 173.1816 15 R 4.1638 8.4882 116.5824 57.0148 28.7857 174.3497 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 1H T 8.17 4.24 4.08 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 0.00 0.00 0.00 1.17 0.00 0.00 1G F 8.25 4.82 0.00 3.07 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F G 8.83 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 0.00 0.00 0.00 0.00 1E A 7.74 4.17 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 1D G 8.35 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 1C E 8.71 4.12 0.00 2.09 2.00 0.00 0.00 0.00 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 2.26 0.00 1B A 7.85 4.72 0.97 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 1A D 8.92 4.52 0.00 2.64 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 1 C 8.54 4.56 0.00 3.10 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 2 G 8.86 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 3 L 7.65 4.59 0.00 1.69 1.67 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.02 4.26 0.00 2.21 2.09 0.00 3.12 0.00 0.00 3.53 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 5 P 0.00 4.22 0.00 2.18 2.10 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 6 L 7.73 4.15 0.00 1.23 1.37 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.33 4.72 0.00 3.07 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 8 E 9.63 4.07 0.00 2.35 2.09 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 2.47 2.50 0.00 9 K 7.85 4.11 0.00 1.99 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.61 7.81 10 K 8.06 4.20 0.00 1.86 1.81 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.50 7.81 11 Q 7.96 3.59 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 12 V 7.64 4.33 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 0.72 0.00 0.00 0.97 0.00 0.00 13 Q 8.43 4.81 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.30 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 14 D 8.88 4.66 0.00 2.64 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A Q 7.40 3.28 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 14B T 7.83 4.23 4.20 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 1.23 0.00 0.00 14C E 8.42 3.81 0.00 2.35 2.13 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 2.49 2.34 0.00 14D K 8.05 4.29 0.00 1.96 1.82 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.62 7.81 14E E 8.36 3.92 0.00 1.98 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 2.30 2.32 0.00 14F L 7.40 3.57 0.00 1.04 1.01 0.75 0.92 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 14G F 7.84 4.42 0.00 3.13 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 14H E 8.32 4.04 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 14I S 7.92 4.14 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 14J Y 7.60 4.45 0.00 3.28 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 14K I 7.63 4.02 1.94 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 1.65 0.59 1.04 0.00 0.00 14L E 7.84 4.34 0.00 2.24 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 0.00 2.36 2.36 0.00 14M G 7.86 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.49 4.16 0.00 1.86 1.86 0.00 3.14 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00