NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3880 8.1693 120.6659 54.6602 43.1142 176.2102 6 T 4.1739 8.0837 110.8605 60.8195 69.8594 172.5771 7 E 4.1962 9.7184 123.7412 58.8309 30.7708 177.8084 8 T 5.1467 7.4773 114.9445 61.8224 71.9842 173.2659 9 M 4.8986 9.2321 125.9560 53.2424 35.6206 172.6071 10 P 5.2007 0.0000 0.0000 62.3554 33.2299 174.9515 11 F 5.2714 8.6380 115.5597 55.3856 41.7903 173.3619 12 R 5.1645 8.7113 115.3630 54.8346 32.4354 174.1343 13 M 5.0714 9.2037 120.7044 54.1612 36.0736 173.6889 14 T 5.2065 8.6156 114.5607 60.1972 72.0680 172.7838 15 M 4.9946 9.0970 123.2425 53.9266 35.9322 173.4578 16 E 4.8612 8.5978 122.8202 54.8240 33.0653 174.6315 17 G 3.7729 7.6936 107.4611 45.9598 0.0000 171.9810 18 T 5.3160 8.2724 115.6948 61.7418 72.3041 174.1190 19 V 4.1565 8.8823 125.7979 61.9506 33.5721 175.0209 20 N 4.2238 10.0259 125.1907 54.2014 36.0779 175.4582 21 G 3.8227 8.5092 106.4452 45.4332 0.0000 173.8322 22 H 4.6533 8.0980 118.1732 55.1546 29.0279 174.0704 23 H 5.3533 8.6533 122.4100 55.4457 30.4664 174.4281 24 F 5.1632 8.6697 115.8592 56.0545 41.8746 173.0394 25 K 5.2104 9.3316 118.0430 55.1278 36.5359 175.4261 26 C 5.5786 9.3979 120.9123 58.2513 32.6369 173.1316 27 T 5.2002 8.9813 111.4526 60.1709 71.9480 173.0683 28 G 4.6203 9.1812 108.9189 44.8842 0.0000 171.5255 29 K 4.9543 9.0462 122.4876 54.7814 36.1633 175.4062 30 G 3.7973 8.3270 113.4652 45.3805 0.0000 170.7910 31 E 5.0941 8.6371 116.3842 55.6029 33.4948 174.3313 32 G 4.4611 8.9255 106.8521 46.1133 0.0000 171.6951 33 N 5.5186 8.8975 119.4018 50.6850 38.7673 173.7700 34 P 4.1263 0.0000 0.0000 65.3086 31.6083 178.2758 35 F 4.5313 7.8024 114.7962 59.2016 39.2438 176.1371 36 E 4.3267 8.4853 118.0751 55.7405 29.9601 176.0251 37 G 3.9232 8.1267 107.0706 46.9465 0.0000 173.5191 38 T 4.9272 7.5818 108.1087 59.7717 72.2054 172.5845 39 Q 5.1935 8.3538 119.1591 55.7256 31.5797 173.0093 40 D 5.1473 9.2597 119.8409 53.1975 45.4625 174.3852 41 M 5.1688 8.5779 117.4019 54.1865 34.6358 173.7716 42 K 4.6699 9.0695 119.6620 54.8981 34.9239 175.5117 43 I 5.0687 8.1912 123.5652 59.4550 40.4943 174.2719 44 E 4.5770 9.2219 127.8397 54.1692 32.4327 174.9009 45 V 4.4032 8.5129 127.4472 62.8059 31.2840 175.2380 46 I 4.3474 8.7425 122.4947 61.7664 38.9644 175.8599 47 E 4.5737 7.9398 121.6956 55.5476 33.9637 176.1124 48 G 4.0914 8.5838 110.1714 46.7636 0.0000 173.6162 49 G 3.9989 7.7182 107.7625 42.8594 0.0000 172.4151 50 P 4.2982 0.0000 0.0000 61.8311 32.0390 176.4213 51 L 3.6278 8.2812 120.9495 54.8568 41.6949 175.6730 52 P 4.5969 0.0000 0.0000 62.3226 31.3461 175.4375 53 F 4.7532 6.8164 111.8671 55.9106 40.7395 173.5555 54 A 4.0613 8.6974 124.6739 52.3283 18.6655 178.5585 55 F 4.0512 9.0208 125.2779 61.3907 39.4593 176.6102 56 D 4.6454 8.7012 119.8393 56.6585 40.3466 178.6397 57 I 3.8332 7.4449 112.0029 62.8683 37.7956 177.1824 58 L 4.3187 7.8557 120.2070 54.8862 42.0973 178.4020 59 S 4.0156 7.3813 116.2485 61.9044 62.8528 176.2586 60 T 4.2518 7.8077 105.9601 62.6469 68.5137 174.6595 61 S 4.6291 7.9187 117.3792 58.7931 64.5147 173.9460 62 C 4.3744 7.7452 123.2407 59.9507 27.9156 173.3040 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 L 8.17 4.39 0.00 1.46 1.59 0.67 0.56 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 6 T 8.08 4.17 4.29 0.00 0.00 0.00 0.00 0.00 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 7 E 9.72 4.20 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 8 T 7.48 5.15 4.27 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 0.00 0.00 1.23 0.00 0.00 9 M 9.23 4.90 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 10 P 0.00 5.20 0.00 2.07 1.98 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 11 F 8.64 5.27 0.00 3.06 3.11 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 12 R 8.71 5.16 0.00 1.81 1.90 0.00 2.99 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 1.52 1.64 0.00 13 M 9.20 5.07 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 14 T 8.62 5.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 15 M 9.10 4.99 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 16 E 8.60 4.86 0.00 1.81 1.77 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 2.10 2.19 0.00 17 G 7.69 3.77 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 0.00 0.00 0.00 18 T 8.27 5.32 4.26 0.00 0.00 0.00 0.00 0.00 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 19 V 8.88 4.16 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.77 0.00 0.00 20 N 10.03 4.22 0.00 2.85 2.86 0.00 0.00 7.36 7.65 0.00 0.00 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 G 8.51 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 22 H 8.10 4.65 0.00 3.56 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.65 5.35 0.00 3.16 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.67 5.16 0.00 3.34 3.22 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 25 K 9.33 5.21 0.00 1.72 1.71 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 26 C 9.40 5.58 0.00 3.02 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 27 T 8.98 5.20 4.27 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 0.00 0.00 1.24 0.00 0.00 28 G 9.18 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 9.05 4.95 0.00 1.75 1.51 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.32 7.81 30 G 8.33 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 31 E 8.64 5.09 0.00 2.09 1.87 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 2.12 2.24 0.00 32 G 8.93 4.46 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 0.00 33 N 8.90 5.52 0.00 2.79 2.77 0.00 0.00 7.14 7.34 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 34 P 0.00 4.13 0.00 1.25 1.76 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 35 F 7.80 4.53 0.00 3.07 3.08 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 0.00 36 E 8.49 4.33 0.00 2.09 2.03 0.00 0.00 0.00 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 2.44 0.00 37 G 8.13 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 38 T 7.58 4.93 4.27 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 0.00 0.00 1.29 0.00 0.00 39 Q 8.35 5.19 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 40 D 9.26 5.15 0.00 2.64 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 41 M 8.58 5.17 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 42 K 9.07 4.67 0.00 1.64 1.70 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 43 I 8.19 5.07 1.77 0.00 0.00 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 1.49 0.60 1.17 0.00 0.00 44 E 9.22 4.58 0.00 1.96 1.76 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 2.18 2.19 0.00 45 V 8.51 4.40 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 0.93 0.00 0.00 0.91 0.00 0.00 46 I 8.74 4.35 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.98 0.00 0.00 47 E 7.94 4.57 0.00 1.95 1.87 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 2.32 2.34 0.00 48 G 8.58 4.09 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 0.00 49 G 7.72 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.30 0.00 2.12 2.01 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 51 L 8.28 3.63 0.00 1.39 1.06 0.54 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.60 0.00 1.99 2.00 0.00 3.39 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 53 F 6.82 4.75 0.00 3.02 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 54 A 8.70 4.06 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.02 4.05 0.00 3.05 3.07 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 0.00 0.00 0.00 0.00 56 D 8.70 4.65 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.44 3.83 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.48 0.89 0.00 0.00 58 L 7.86 4.32 0.00 0.79 1.48 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.38 4.02 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.81 4.25 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 1.19 0.00 0.00 61 S 7.92 4.63 0.00 4.00 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 62 C 7.75 4.37 0.00 3.02 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