NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 L 4.5367 8.1849 120.6289 54.9588 41.8839 175.9317 12 R 4.3388 8.9639 124.1164 53.3348 32.1645 174.7521 13 L 4.1068 8.2147 119.4948 56.4420 42.9055 177.3238 14 G 4.0203 8.8466 110.9710 45.3285 0.0000 173.6684 15 E 4.0216 7.4113 120.4642 56.0510 30.1029 176.4051 16 R 4.2188 8.3934 125.1774 56.0127 30.9026 176.0474 17 V 4.5659 8.0113 114.2109 59.8704 35.9777 174.1243 18 L 4.7017 8.3430 119.8555 53.0502 43.8685 176.3283 19 V 4.2540 8.3159 123.0927 60.9522 33.0724 174.8090 20 V 4.0972 8.3078 127.1320 61.8296 32.3996 174.9816 21 G 4.1772 8.0809 114.2155 45.1007 0.0000 171.5196 22 Q 4.6481 8.3873 116.7545 53.9863 32.2352 175.2047 23 R 4.6792 8.3567 119.5838 54.1543 33.2735 175.2359 24 L 4.3130 8.2238 122.7965 54.7434 43.1057 175.7126 25 G 4.2163 7.8256 110.0606 46.2840 0.0000 171.9218 26 T 4.7695 8.3392 115.7161 61.3008 71.9033 174.2332 27 I 4.3073 8.4251 127.1365 61.6694 37.4325 175.9572 28 R 4.6087 8.4235 124.5127 55.4049 31.7679 175.2156 29 F 4.8679 7.9705 118.9297 57.7528 42.8845 172.4173 30 F 4.7555 7.2741 126.1944 56.1627 42.2602 173.7556 31 G 3.6734 6.8720 113.0420 46.0230 0.0000 171.4431 32 T 4.5105 7.9767 110.2831 61.1588 69.8497 173.5255 33 T 4.6537 7.5942 111.2372 60.5224 71.7731 173.0751 34 N 4.5154 9.0948 118.3018 54.8170 38.9717 176.8835 35 F 4.2731 7.4869 111.0100 57.7329 38.5002 174.8690 36 A 4.2116 5.9408 122.0076 50.8581 22.1840 174.0658 37 P 4.3123 0.0000 0.0000 63.2512 31.9020 176.5393 38 G 3.8346 8.5606 106.0504 45.0435 0.0000 171.0595 39 Y 4.4685 8.0447 115.3696 55.9040 39.6729 175.8541 40 W 4.9016 8.7050 123.0206 55.0824 33.2321 174.0366 41 Y 5.2976 9.4590 121.6537 57.1866 39.5473 174.6297 42 G 4.4283 9.5034 111.1749 44.7054 0.0000 172.5421 43 I 4.9034 9.0692 125.9885 59.2827 41.7966 174.0230 44 E 5.0513 8.5700 127.0793 54.6151 31.0564 175.6780 45 L 4.7800 9.3152 128.2507 54.3951 42.4914 177.2184 46 E 4.3220 8.3774 118.9424 57.8764 29.8303 177.4480 47 K 4.6904 7.5686 115.9972 53.5819 35.4265 175.2453 48 P 3.8790 0.0000 0.0000 62.7869 29.8450 176.8719 49 H 4.7043 7.8937 111.8265 55.6392 29.3421 175.5787 50 G 4.1402 8.5227 109.6966 45.2603 0.0000 173.7676 51 K 4.8045 8.6096 117.2625 56.2604 33.9189 175.6604 52 N 4.8146 7.8388 116.8234 52.0459 40.8841 174.2362 53 D 5.0036 8.6069 115.9624 53.4862 40.5940 178.1396 54 G 3.2137 9.1393 107.3385 46.2110 0.0000 173.8152 55 S 5.1682 7.5276 112.9349 56.2732 66.1879 173.7596 56 V 4.1900 8.4368 120.6151 62.2064 33.7629 175.6169 57 G 3.9905 9.9384 115.6614 46.4889 0.0000 174.2360 58 G 3.8561 8.5219 109.3824 44.6480 0.0000 174.4836 59 V 3.7364 7.6012 120.5152 61.7847 31.8766 174.9217 60 Q 4.4106 8.0850 126.4574 55.3262 29.8887 174.7687 61 Y 4.3330 8.5554 118.4863 58.9676 40.3702 175.4420 62 F 5.0709 7.4191 112.0250 55.5390 41.1618 172.2537 63 S 5.1062 8.7893 114.6645 56.7649 64.6830 172.4320 64 C 4.8383 8.6630 120.7642 57.0919 33.2423 173.6042 65 S 4.4017 8.5596 114.6448 57.5806 63.5861 172.6901 66 P 4.4132 0.0000 0.0000 64.6296 31.6389 177.2926 67 R 4.2574 8.8307 118.9749 56.8207 28.5600 177.1373 68 Y 4.0270 8.1319 114.5681 58.0513 38.9611 175.1869 69 G 4.5352 8.2717 108.7822 45.2924 0.0000 172.9304 70 I 5.0881 8.9900 122.7876 59.5304 42.1954 173.3033 71 F 5.7350 8.8412 123.6913 55.9480 42.2594 174.3680 72 A 5.3222 9.7010 123.4641 50.0550 22.9951 174.3409 73 P 4.2309 0.0000 0.0000 61.3895 32.6843 175.5418 74 P 4.5507 0.0000 0.0000 66.0076 31.3146 178.8733 75 S 4.2841 8.0916 110.8172 60.2964 62.9643 174.8382 76 R 4.5615 8.2303 119.0693 55.5670 30.4337 175.2935 77 V 4.3682 7.6656 117.9978 60.9290 33.6125 174.7050 78 Q 4.4700 8.1871 126.4672 53.8982 32.4436 174.2551 79 R 4.0117 8.2563 123.6690 55.8783 30.9600 177.4280 80 V 3.5690 8.4656 124.3729 66.4585 31.5350 177.2414 81 T 4.2654 7.8171 105.6559 61.9729 68.3618 173.9460 82 D 4.4777 7.9269 127.8823 55.0023 41.4958 175.5897 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 11 L 8.18 4.54 0.00 1.63 1.73 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.96 4.34 0.00 1.86 1.85 0.00 3.13 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 13 L 8.21 4.11 0.00 1.63 1.60 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.85 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 15 E 7.41 4.02 0.00 2.08 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 2.28 0.00 16 R 8.39 4.22 0.00 1.84 1.85 0.00 3.37 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 17 V 8.01 4.57 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 0.80 0.00 0.00 0.93 0.00 0.00 18 L 8.34 4.70 0.00 1.59 1.56 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.32 4.25 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 0.79 0.00 0.00 0.93 0.00 0.00 20 V 8.31 4.10 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 0.86 0.00 0.00 0.94 0.00 0.00 21 G 8.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 4.65 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 23 R 8.36 4.68 0.00 1.74 1.80 0.00 3.27 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 24 L 8.22 4.31 0.00 1.71 1.51 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.83 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 26 T 8.34 4.77 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 1.18 0.00 0.00 27 I 8.43 4.31 1.86 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.34 1.13 0.00 0.00 28 R 8.42 4.61 0.00 0.83 1.76 0.00 3.50 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.00 0.00 29 F 7.97 4.87 0.00 3.39 3.03 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 0.00 0.00 0.00 30 F 7.27 4.76 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.87 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.98 4.51 3.97 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 0.33 0.00 0.00 33 T 7.59 4.65 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 0.48 0.00 0.00 34 N 9.09 4.52 0.00 2.74 2.89 0.00 0.00 7.06 7.40 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 35 F 7.49 4.27 0.00 2.84 2.96 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 36 A 5.94 4.21 1.15 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 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.31 0.00 2.22 2.09 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 38 G 8.56 3.83 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 0.00 0.00 0.00 39 Y 8.04 4.47 0.00 2.67 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 0.00 0.00 0.00 0.00 40 W 8.70 4.90 0.00 3.34 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 9.46 5.30 0.00 3.37 3.02 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 42 G 9.50 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 9.07 4.90 1.87 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 1.08 0.85 0.93 0.00 0.00 44 E 8.57 5.05 0.00 2.04 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 2.28 2.39 0.00 45 L 9.32 4.78 0.00 1.74 1.63 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.38 4.32 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 47 K 7.57 4.69 0.00 1.30 1.40 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.37 7.81 48 P 0.00 3.88 0.00 1.86 1.73 0.00 3.50 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.40 0.00 49 H 7.89 4.70 0.00 3.01 3.27 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.52 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 51 K 8.61 4.80 0.00 1.63 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.36 7.81 52 N 7.84 4.81 0.00 2.94 2.91 0.00 0.00 5.86 8.07 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 53 D 8.61 5.00 0.00 2.90 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.14 3.21 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 55 S 7.53 5.17 0.00 3.83 3.70 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 56 V 8.44 4.19 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 0.75 0.00 0.00 0.51 0.00 0.00 57 G 9.94 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 0.00 0.00 0.00 58 G 8.52 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.60 3.74 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 0.61 0.00 0.00 0.85 0.00 0.00 60 Q 8.08 4.41 0.00 1.91 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.59 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 61 Y 8.56 4.33 0.00 2.97 1.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.42 5.07 0.00 3.21 3.29 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 63 S 8.79 5.11 0.00 3.87 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 64 C 8.66 4.84 0.00 3.26 3.20 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 0.00 65 S 8.56 4.40 0.00 3.64 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.41 0.00 2.09 2.04 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 67 R 8.83 4.26 0.00 1.97 2.01 0.00 3.07 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 68 Y 8.13 4.03 0.00 3.20 3.03 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 0.00 0.00 0.00 69 G 8.27 4.54 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 0.00 0.00 0.00 70 I 8.99 5.09 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.97 0.00 0.00 71 F 8.84 5.74 0.00 2.85 3.29 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 72 A 9.70 5.32 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 73 P 0.00 4.23 0.00 1.93 1.25 0.00 3.84 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 2.01 1.87 0.00 74 P 0.00 4.55 0.00 2.20 2.39 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 75 S 8.09 4.28 0.00 3.97 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 76 R 8.23 4.56 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 77 V 7.67 4.37 1.93 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 0.35 0.00 0.00 0.99 0.00 0.00 78 Q 8.19 4.47 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 79 R 8.26 4.01 0.00 1.79 1.90 0.00 3.43 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 80 V 8.47 3.57 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 0.86 0.00 0.00 0.90 0.00 0.00 81 T 7.82 4.27 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 82 D 7.93 4.48 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00