NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3546 8.1744 110.9439 61.5135 70.3752 173.5645 6 N 4.7411 8.0491 118.9950 53.6234 39.2253 173.3372 7 S 4.6305 8.7291 113.9657 57.1666 65.4781 173.3730 8 D 4.8322 8.5505 121.0692 55.0242 41.7169 175.6836 9 F 5.3707 7.9874 114.3412 55.4718 41.6062 173.9092 10 V 4.5499 8.8897 112.3676 59.5558 35.4546 174.8418 11 V 4.7480 8.6945 124.1814 61.4504 33.6944 174.4535 12 I 4.9399 9.3543 129.0540 59.4112 40.3167 174.2276 13 K 5.0189 9.0111 129.1949 54.1628 34.3120 175.1330 14 A 4.3564 8.7438 130.6814 52.5401 18.9721 177.4160 15 L 4.6299 9.1763 122.6521 54.7941 42.5279 176.0972 16 E 4.6806 7.6984 115.5077 54.7554 32.4016 174.4342 17 D 4.4608 8.3702 119.3011 55.6151 41.3495 176.9539 18 G 3.8686 8.7793 109.0991 45.8468 0.0000 173.8773 19 V 3.8197 7.3724 120.1924 63.0664 32.8824 174.5050 20 N 5.2736 9.1354 125.6914 51.8834 41.6975 173.0412 21 V 4.4963 8.7010 127.7532 61.7614 33.3324 174.5234 22 I 4.8128 9.0807 130.0115 59.5355 39.5629 174.9114 23 G 4.2852 9.0254 115.6761 45.1255 0.0000 172.1557 24 L 5.4164 8.9030 125.9694 52.9547 44.2182 176.2256 25 T 4.4997 8.6745 114.4067 61.7335 69.2472 174.3193 26 R 4.4445 7.7772 126.0320 56.5840 31.0163 175.1745 27 G 3.8130 8.9331 109.6953 43.4730 0.0000 173.1777 28 A 4.0833 8.5820 121.7828 54.6161 18.4608 177.8402 29 D 4.8626 7.7988 113.8043 53.1962 42.6097 175.9114 30 T 4.7599 8.1295 118.6592 62.1290 71.0315 173.2958 31 R 4.7779 8.5060 121.6301 54.9936 33.4145 174.0048 32 F 5.0731 8.9648 115.3997 57.1140 38.3515 174.9311 33 H 4.6886 9.0359 116.1086 56.0102 30.6609 173.6915 34 H 4.9694 7.9900 118.3624 54.7871 33.4702 171.7163 35 S 4.9729 8.5869 119.5321 56.4329 64.7955 172.2964 36 E 4.5961 9.1797 129.0890 54.3784 31.3471 174.8312 37 K 4.8167 8.6573 126.8549 55.8818 33.4546 176.3418 38 L 4.9876 9.0215 123.9999 53.1026 44.9976 176.0773 39 D 4.7634 9.3239 123.3246 52.7724 42.9330 175.9750 40 K 4.0073 8.9064 122.2567 58.4445 32.4068 177.1002 41 G 4.0485 9.1278 115.3123 45.3430 0.0000 173.6892 42 E 4.2467 7.9949 119.4312 56.3188 30.7859 176.1157 43 V 4.9492 8.2885 121.8805 61.0119 34.4110 174.1835 44 L 4.7569 9.2627 129.6897 53.2659 44.7897 174.8249 45 I 4.9163 8.5009 126.4622 59.6432 39.1216 174.7479 46 A 4.7140 9.0687 129.2450 50.1741 22.0116 175.2682 47 Q 4.8667 8.6470 120.9234 54.7561 30.7085 175.5874 48 F 4.7726 8.6147 120.4080 57.8247 38.5463 175.2388 49 T 4.7406 9.0197 111.5431 59.8719 72.0545 174.0066 50 E 4.1538 8.9583 121.3039 59.2719 29.7041 177.1377 51 H 4.6060 7.8468 113.4016 55.9238 30.0323 174.0200 52 T 5.3347 8.5184 116.4558 60.9729 71.1078 174.3723 53 S 4.9744 8.9495 120.3170 58.1299 64.8192 173.3220 54 A 5.1922 7.8676 121.3657 51.2031 22.5785 175.1931 55 I 5.0526 8.5661 120.3808 59.3771 40.9124 174.7005 56 K 4.6175 9.3307 128.1975 54.4922 34.9196 174.6086 57 V 4.7982 8.4386 126.5820 61.2290 33.5719 174.5273 58 R 4.5314 9.0878 127.1158 55.7102 32.7703 176.5713 59 G 4.1329 8.9364 108.4962 44.1899 0.0000 172.3468 60 K 4.5678 9.3735 120.4000 55.9037 32.9371 175.5637 61 A 5.1621 8.7042 128.1901 50.6966 23.3962 173.7644 62 Y 4.7749 9.0950 122.3459 56.3070 40.6666 174.4334 63 I 4.9916 8.5116 127.8309 59.5479 40.6034 174.4648 64 Q 5.1268 8.8443 125.6705 54.3646 31.9026 174.8978 65 T 4.7821 8.5814 112.6989 59.5595 72.4407 174.4308 66 R 3.7051 8.5621 120.5410 59.6580 29.8032 176.5722 67 H 4.6229 7.8453 112.4264 55.2204 29.5608 173.7604 68 G 3.7933 7.3851 105.7367 44.1148 0.0000 172.9071 69 V 4.4604 8.0806 113.0767 60.3733 33.1581 175.7075 70 I 4.6083 8.6442 123.6980 59.4411 41.9618 173.2278 71 E 5.2171 8.6515 126.6503 54.5431 31.9001 175.8197 72 S 4.6768 8.7109 119.0605 57.6276 65.2985 172.8672 73 E 4.8835 8.5835 120.1984 54.4732 32.5247 175.9574 74 G 3.8478 8.6595 112.4127 45.2260 0.0000 173.8557 75 K 4.0236 8.3208 121.4302 57.0576 33.0431 175.0584 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 T 8.17 4.35 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 1.23 0.00 0.00 6 N 8.05 4.74 0.00 2.78 2.85 0.00 0.00 7.20 6.75 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 7 S 8.73 4.63 0.00 4.17 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 8 D 8.55 4.83 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 5.37 0.00 3.08 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 10 V 8.89 4.55 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 0.58 0.00 0.00 0.89 0.00 0.00 11 V 8.69 4.75 2.25 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 1.10 0.00 0.00 1.16 0.00 0.00 12 I 9.35 4.94 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.56 0.93 0.00 0.00 13 K 9.01 5.02 0.00 1.90 1.79 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 14 A 8.74 4.36 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 15 L 9.18 4.63 0.00 1.62 1.73 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.68 0.00 2.02 1.88 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 2.18 2.33 0.00 17 D 8.37 4.46 0.00 2.69 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 18 G 8.78 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 19 V 7.37 3.82 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 0.85 0.00 0.00 0.96 0.00 0.00 20 N 9.14 5.27 0.00 2.70 2.56 0.00 0.00 6.61 8.12 0.00 0.00 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 8.70 4.50 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 0.95 0.00 0.00 0.93 0.00 0.00 22 I 9.08 4.81 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.40 0.86 0.00 0.00 23 G 9.03 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 0.00 0.00 0.00 0.00 24 L 8.90 5.42 0.00 1.94 1.66 1.04 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.67 4.50 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 1.28 0.00 0.00 26 R 7.78 4.44 0.00 1.92 1.96 0.00 3.19 0.00 0.00 3.07 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 27 G 8.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.58 4.08 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 29 D 7.80 4.86 0.00 2.66 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 30 T 8.13 4.76 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 1.26 0.00 0.00 31 R 8.51 4.78 0.00 1.89 2.02 0.00 2.74 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 32 F 8.96 5.07 0.00 3.04 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 33 H 9.04 4.69 0.00 3.06 3.41 0.00 5.75 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 7.99 4.97 0.00 3.30 3.11 0.00 5.80 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 8.59 4.97 0.00 3.71 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 4.60 0.00 2.19 1.82 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 2.24 2.32 0.00 37 K 8.66 4.82 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.44 7.81 38 L 9.02 4.99 0.00 1.51 1.53 0.93 1.03 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 9.32 4.76 0.00 2.58 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 8.91 4.01 0.00 1.74 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 G 9.13 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.99 4.25 0.00 2.03 1.88 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 2.33 2.40 0.00 43 V 8.29 4.95 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 0.95 0.00 0.00 44 L 9.26 4.76 0.00 1.73 1.48 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 4.92 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 0.77 0.00 0.00 46 A 9.07 4.71 1.14 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 47 Q 8.65 4.87 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 48 F 8.61 4.77 0.00 3.01 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 49 T 9.02 4.74 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 1.26 0.00 0.00 50 E 8.96 4.15 0.00 1.93 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 1.92 2.24 0.00 51 H 7.85 4.61 0.00 3.30 3.19 0.00 5.80 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 8.52 5.33 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 53 S 8.95 4.97 0.00 3.85 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 7.87 5.19 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 5.05 1.86 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.88 0.00 0.00 56 K 9.33 4.62 0.00 1.77 1.61 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.34 7.81 57 V 8.44 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 0.87 0.00 0.00 0.92 0.00 0.00 58 R 9.09 4.53 0.00 1.73 1.75 0.00 3.05 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 59 G 8.94 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.37 4.57 0.00 2.00 1.72 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 61 A 8.70 5.16 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 62 Y 9.10 4.77 0.00 3.04 2.85 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 0.00 0.00 0.00 63 I 8.51 4.99 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.87 0.00 0.00 64 Q 8.84 5.13 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 65 T 8.58 4.78 4.13 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 0.00 0.00 1.17 0.00 0.00 66 R 8.56 3.71 0.00 1.58 1.76 0.00 3.16 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 67 H 7.85 4.62 0.00 3.19 3.26 0.00 5.69 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 68 G 7.39 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 4.46 1.58 0.00 0.00 0.00 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 0.86 0.00 0.00 70 I 8.64 4.61 1.81 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 1.34 0.84 0.00 0.00 71 E 8.65 5.22 0.00 1.85 1.84 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 2.43 2.22 0.00 72 S 8.71 4.68 0.00 3.95 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 0.00 73 E 8.58 4.88 0.00 1.81 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 2.20 2.34 0.00 74 G 8.66 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.32 4.02 0.00 1.66 1.63 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.39 7.81