NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.9096 8.2076 120.4834 54.5727 43.2594 173.3179 9 F 5.1819 7.9795 115.7122 55.2375 41.3420 168.3459 10 V 4.4770 9.2063 111.9208 59.4822 36.2147 176.3028 11 V 4.7632 8.6766 123.6439 61.3823 33.6771 174.4287 12 I 5.0142 9.0826 128.8657 59.3294 40.6607 174.2136 13 K 5.0068 9.0898 128.5794 54.3965 34.6998 174.7339 14 A 4.4929 8.7221 130.0211 51.9666 18.9526 177.8763 15 V 4.2948 8.8616 123.2376 63.2555 33.1083 175.2413 16 E 4.7892 7.8760 116.7109 53.8805 32.7150 174.5423 17 D 4.6973 8.3729 118.7387 55.2989 41.4965 176.7119 18 G 3.8429 8.7258 108.3394 46.0445 0.0000 173.7571 19 V 4.0413 7.4000 119.7854 62.4939 33.0137 174.5570 20 N 5.3531 9.0816 124.3157 51.3890 41.8331 173.4750 21 V 4.5436 8.8309 124.1096 61.3432 33.7842 174.1157 22 I 4.6686 8.6276 130.0163 59.3988 39.5577 175.0524 23 G 4.1354 9.0773 114.9157 44.9127 0.0000 172.3787 24 L 5.5549 8.6195 124.4191 52.6733 44.4607 176.1676 25 T 4.4298 8.8279 114.5155 61.8279 69.3838 174.0612 26 R 4.3942 7.9166 126.5428 55.7219 30.7440 176.1929 27 G 3.7768 8.7511 112.3671 44.6364 0.0000 172.8406 28 T 3.9642 8.4999 109.8402 64.1903 69.0058 174.2624 29 D 4.8090 7.7938 119.8093 52.9714 42.6055 176.1478 30 T 4.6302 8.2046 117.1461 61.9672 71.0664 173.3495 31 K 4.7219 8.8405 125.3237 54.0411 36.8894 176.0895 32 F 5.1244 8.7596 122.0582 58.2976 38.8531 174.8833 33 H 4.9355 8.9082 118.7960 56.4680 30.4451 174.4532 34 H 4.6400 7.6570 116.8271 55.1474 33.2689 172.1652 35 S 4.8501 8.4039 120.2352 56.4254 64.1927 172.4890 36 E 4.2836 9.4372 130.8442 55.1995 30.8060 174.8359 37 K 4.7384 8.6015 128.7362 55.5266 33.3642 175.3199 38 L 4.9071 9.0272 127.8576 53.1034 44.1460 176.0800 39 D 4.5802 10.3310 124.3353 53.1998 42.5459 175.9708 40 K 4.0413 8.2573 121.8207 58.4335 32.3858 177.5196 41 G 4.0146 9.1967 114.8203 45.5941 0.0000 173.4807 42 E 4.3800 7.9138 119.3535 55.9709 31.1287 175.8155 43 V 4.9116 8.2005 120.8261 61.1361 34.5908 174.3718 44 I 4.5322 8.9261 127.5886 59.1817 41.1023 174.0693 45 I 4.9907 8.4056 128.9050 59.6737 38.9301 174.6289 46 A 4.7224 8.8851 129.4187 50.0283 21.7370 175.4142 47 Q 4.7991 8.6066 120.8203 55.3104 30.2395 175.7293 48 F 4.6592 8.9129 120.9215 57.6346 39.4464 175.3468 49 T 4.7313 8.9269 110.9973 60.2523 71.8919 174.1335 50 E 4.0603 8.9579 119.7803 59.5469 29.5747 177.9901 51 H 4.6233 7.7942 111.0057 55.8422 30.1113 174.3371 52 T 5.0766 8.2471 117.0760 61.9576 70.0974 174.0536 53 S 5.0967 8.8135 119.9274 57.9564 64.9078 173.4393 54 A 5.1768 7.9981 121.7128 50.9580 22.6976 175.1151 55 I 4.9547 8.5858 120.6749 59.3611 40.6796 174.7495 56 K 4.6532 8.9265 127.7713 54.4999 35.0948 174.6911 57 V 4.8017 8.3191 125.3803 61.0277 34.1505 174.3979 58 R 4.4552 8.9305 127.7752 55.5563 32.8501 174.5154 59 G 4.0854 9.0712 111.5654 43.8413 0.0000 172.1782 60 E 4.4658 9.1086 119.6003 56.0447 30.5974 175.2266 61 A 5.0314 8.8987 127.6963 50.7705 23.6105 174.0507 62 L 4.8943 9.0815 122.1977 53.4226 44.5066 175.1971 63 I 5.0235 8.8305 127.2961 59.6438 39.9948 174.4891 64 Q 5.2206 9.2523 125.9084 54.4275 32.1682 174.9026 65 T 4.8732 8.7569 112.8516 59.6728 72.3702 174.3807 66 A 3.8408 8.2580 123.0525 55.1988 18.2420 177.9213 67 Y 4.7109 7.2192 111.4095 57.6707 38.6817 174.5885 68 G 3.9007 7.1332 106.4109 43.9956 0.0000 172.6311 69 E 5.3068 8.6302 119.0128 54.8380 32.9353 175.4237 70 M 4.8556 8.9065 121.3563 53.6890 36.2968 173.5512 71 K 5.0745 8.6388 125.9368 54.5828 34.4881 175.5325 72 S 4.5873 8.6453 122.0523 58.0601 64.7334 173.1754 73 E 4.8786 8.4733 120.8263 54.1578 32.0843 176.0106 74 K 5.1612 8.4356 120.6309 56.8757 32.1802 176.0615 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 8 D 8.21 4.91 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.98 5.18 0.00 3.08 2.94 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 10 V 9.21 4.48 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 0.62 0.00 0.00 0.88 0.00 0.00 11 V 8.68 4.76 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 1.02 0.00 0.00 1.16 0.00 0.00 12 I 9.08 5.01 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.56 0.89 0.00 0.00 13 K 9.09 5.01 0.00 1.77 1.64 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.35 7.81 14 A 8.72 4.49 1.29 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 0.00 0.00 0.00 15 V 8.86 4.29 2.20 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 0.81 0.00 0.00 0.93 0.00 0.00 16 E 7.88 4.79 0.00 2.13 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 2.41 2.28 0.00 17 D 8.37 4.70 0.00 2.69 2.63 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 18 G 8.73 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 0.00 0.00 0.00 19 V 7.40 4.04 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 0.96 0.00 0.00 1.03 0.00 0.00 20 N 9.08 5.35 0.00 2.64 2.56 0.00 0.00 6.35 8.23 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 21 V 8.83 4.54 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 0.90 0.00 0.00 0.89 0.00 0.00 22 I 8.63 4.67 1.40 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.31 -0.27 0.00 0.00 23 G 9.08 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.62 5.55 0.00 1.93 1.69 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.83 4.43 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 26 R 7.92 4.39 0.00 1.92 2.00 0.00 3.25 0.00 0.00 3.08 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 8.75 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 0.00 0.00 0.00 28 T 8.50 3.96 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 29 D 7.79 4.81 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.63 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 1.28 0.00 0.00 31 K 8.84 4.72 0.00 1.73 1.68 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81 32 F 8.76 5.12 0.00 2.90 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.91 4.94 0.00 3.15 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.66 4.64 0.00 3.30 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.40 4.85 0.00 3.75 3.62 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 36 E 9.44 4.28 0.00 2.14 1.78 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 2.27 2.29 0.00 37 K 8.60 4.74 0.00 1.77 1.67 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.61 7.81 38 L 9.03 4.91 0.00 1.55 1.52 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.33 4.58 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.26 4.04 0.00 1.87 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 41 G 9.20 4.01 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 0.00 0.00 0.00 42 E 7.91 4.38 0.00 1.95 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 2.31 2.37 0.00 43 V 8.20 4.91 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 0.83 0.00 0.00 0.92 0.00 0.00 44 I 8.93 4.53 1.85 0.00 0.00 0.83 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 0.88 0.88 0.00 0.00 45 I 8.41 4.99 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.64 0.00 0.00 46 A 8.89 4.72 1.11 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 0.00 0.00 47 Q 8.61 4.80 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 48 F 8.91 4.66 0.00 2.96 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 49 T 8.93 4.73 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 1.24 0.00 0.00 50 E 8.96 4.06 0.00 1.84 1.95 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 2.30 2.40 0.00 51 H 7.79 4.62 0.00 3.24 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.25 5.08 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 1.31 0.00 0.00 53 S 8.81 5.10 0.00 3.80 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 54 A 8.00 5.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.59 4.95 1.80 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.82 0.00 0.00 56 K 8.93 4.65 0.00 1.77 1.44 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.35 7.81 57 V 8.32 4.80 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 8.93 4.46 0.00 1.87 1.68 0.00 3.14 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 59 G 9.07 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 60 E 9.11 4.47 0.00 2.16 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 2.37 2.49 0.00 61 A 8.90 5.03 1.26 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 0.00 0.00 0.00 62 L 9.08 4.89 0.00 1.72 1.52 0.97 1.16 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 63 I 8.83 5.02 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.90 0.00 0.00 64 Q 9.25 5.22 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 65 T 8.76 4.87 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 1.11 0.00 0.00 66 A 8.26 3.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.22 4.71 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.13 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 0.00 0.00 0.00 69 E 8.63 5.31 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 70 M 8.91 4.86 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 71 K 8.64 5.07 0.00 1.78 1.66 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.53 7.81 72 S 8.65 4.59 0.00 3.98 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 73 E 8.47 4.88 0.00 1.86 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 2.23 2.28 0.00 74 K 8.44 5.16 0.00 1.71 1.72 0.00 1.63 0.00 0.00 2.40 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.88 7.81