NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.1152 8.1749 110.9278 60.8700 71.1548 173.2560 1G F 3.8989 7.6060 123.6513 57.6721 39.7419 172.9794 1F G 3.7555 9.4337 120.9733 44.9868 0.0000 172.4843 1E A 4.7896 8.3172 120.3429 49.7790 22.8196 176.7344 1D G 3.9608 8.7306 108.8485 45.8281 0.0000 174.1317 1C E 4.2646 8.2360 118.2148 55.7072 31.1537 174.7687 1B A 4.3421 8.5590 121.9035 52.5536 16.2941 178.6129 1A D 4.6133 7.8608 114.0857 55.8991 41.7631 176.8096 1 C 4.0688 8.0156 113.0804 59.6216 29.6897 174.2808 2 G 3.7963 8.7385 108.7025 45.9410 0.0000 173.5823 3 L 4.4550 7.3595 120.0739 52.6698 41.5302 176.3382 4 R 4.1320 8.8507 124.5223 55.3906 30.4923 176.1243 5 P 4.2623 0.0000 0.0000 65.8353 31.3688 177.6138 6 L 4.1238 7.9478 114.8422 55.7257 43.1078 177.0348 7 F 4.5915 8.3642 114.7726 56.5929 40.2402 176.6969 8 E 3.7366 9.5165 129.9536 59.6558 30.2290 178.3371 9 K 4.3155 8.0174 115.6078 56.9828 32.7288 177.2337 10 K 4.4693 8.5280 117.7832 55.2093 32.5308 175.8135 11 Q 3.4451 8.0387 115.7482 57.1707 26.0596 173.6818 12 V 4.4699 7.6296 114.8180 61.0792 34.3701 173.8058 13 Q 4.9654 8.4891 124.7373 54.0391 30.9902 175.2837 14 D 4.8858 8.5843 120.9875 52.6200 40.6659 176.4955 14A Q 4.1360 8.8728 120.0023 59.3301 28.8366 178.6720 14B T 4.4091 7.7889 104.5695 61.2693 69.8116 175.5488 14C E 3.9332 8.3212 124.5238 59.5647 29.4497 178.6381 14D K 4.0024 8.1403 118.2512 59.9544 32.1159 178.5019 14E E 3.9429 8.0533 119.9326 59.0634 29.3164 178.3770 14F L 3.9249 7.9717 119.1602 57.2488 41.8893 179.0577 14G F 4.2947 8.0863 120.2151 61.3569 39.2536 176.6178 14H E 4.0639 8.1560 118.0857 59.2975 29.4929 178.7040 14I S 4.1749 7.2615 112.1047 60.8884 63.5014 175.4196 14J Y 4.9412 7.4473 127.3373 57.7516 37.8743 177.8660 14K I 3.3724 8.2474 128.0322 61.8785 35.4086 173.0461 14L E 4.3829 8.3736 118.4855 56.4352 28.9340 177.8605 14M G 3.8723 8.3385 109.6787 47.8565 0.0000 174.3784 15 R 4.1341 7.6205 123.2280 56.4149 30.2355 174.1909 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 4.12 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 1.01 0.00 0.00 1G F 7.61 3.90 0.00 3.14 3.01 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 1F G 9.43 3.76 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 0.00 0.00 0.00 1E A 8.32 4.79 1.22 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 1D G 8.73 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 1C E 8.24 4.26 0.00 1.93 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 0.00 2.21 2.28 0.00 1B A 8.56 4.34 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.61 0.00 2.73 2.82 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 1 C 8.02 4.07 0.00 3.08 2.97 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 2 G 8.74 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.36 4.45 0.00 1.80 1.69 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.85 4.13 0.00 2.27 2.10 0.00 3.09 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 P 0.00 4.26 0.00 2.07 2.17 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 6 L 7.95 4.12 0.00 1.66 1.16 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.36 4.59 0.00 3.14 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 8 E 9.52 3.74 0.00 2.00 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 2.37 2.48 0.00 9 K 8.02 4.32 0.00 1.96 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.42 1.61 7.81 10 K 8.53 4.47 0.00 1.82 1.70 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.43 7.81 11 Q 8.04 3.45 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 12 V 7.63 4.47 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 0.98 0.00 0.00 0.95 0.00 0.00 13 Q 8.49 4.97 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 14 D 8.58 4.89 0.00 2.65 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 0.00 0.00 0.00 0.00 14A Q 8.87 4.14 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 14B T 7.79 4.41 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 1.20 0.00 0.00 14C E 8.32 3.93 0.00 2.40 2.14 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 2.34 2.36 0.00 14D K 8.14 4.00 0.00 2.02 2.06 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.52 7.81 14E E 8.05 3.94 0.00 1.99 2.27 0.00 0.00 0.00 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 2.31 0.00 14F L 7.97 3.92 0.00 1.79 1.46 0.92 0.92 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 14G F 8.09 4.29 0.00 3.14 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 14H E 8.16 4.06 0.00 2.16 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 2.32 2.35 0.00 14I S 7.26 4.17 0.00 3.95 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 14J Y 7.45 4.94 0.00 2.86 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 0.00 0.00 0.00 0.00 14K I 8.25 3.37 1.85 0.00 0.00 0.75 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 0.69 0.89 0.00 0.00 14L E 8.37 4.38 0.00 1.88 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 2.27 2.34 0.00 14M G 8.34 3.87 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 0.00 0.00 0.00 15 R 7.62 4.13 0.00 1.71 1.75 0.00 3.33 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00