NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3904 8.1593 115.2712 61.3931 68.6854 172.7413 2 Y 4.5258 7.3033 127.5691 57.4172 40.7702 173.4494 3 S 4.0278 6.4667 115.3128 58.1493 64.3308 174.2006 4 L 4.0506 8.1662 122.7056 55.2616 44.2980 173.8977 5 R 3.6064 8.4387 124.3343 55.5464 29.3210 175.9687 6 T 4.1303 7.8144 108.0586 60.8242 70.5831 173.7091 7 F 4.7532 8.1107 119.6313 56.9767 40.6636 174.6767 8 F 4.7593 8.2834 122.9894 57.6871 40.9733 173.9793 9 V 4.4279 7.4325 126.8235 60.1209 31.5174 175.9848 10 R 3.7118 7.1384 124.1314 59.5308 30.9467 177.0411 11 E 3.9180 7.7052 124.9631 57.3570 28.4566 175.1874 12 S 3.6637 8.3034 123.9063 57.1983 62.6979 172.4278 13 A 4.2835 8.1823 124.3108 51.9118 19.3450 177.1456 14 E 4.2197 8.6753 119.3871 57.0233 29.2427 177.3408 15 G 4.0998 8.2184 102.1720 45.9500 0.0000 173.0745 16 L 4.0036 7.2618 119.0717 55.5579 41.1658 177.5492 17 T 4.3904 8.1415 109.6078 61.0414 71.4711 175.6234 18 Q 4.2096 8.7603 121.2306 59.3743 28.5535 179.7680 19 G 3.5797 8.0105 106.2515 47.6773 0.0000 175.5813 20 E 3.9981 7.7256 120.4888 59.0649 29.4765 179.1450 21 L 3.7547 8.1161 120.4618 58.3409 42.0266 178.4673 22 M 4.1215 7.9856 118.2155 58.8913 31.9157 178.9216 23 K 3.9193 7.9735 118.2480 59.3478 32.3246 179.5999 24 L 3.9092 7.7327 119.5104 57.7441 41.2691 179.5409 25 I 3.6264 7.9040 118.9094 64.2230 37.3352 178.1199 26 K 4.0806 8.3721 120.8290 59.5262 32.0072 178.5800 27 E 3.9220 8.7099 119.2493 59.6117 29.1396 179.4858 28 I 3.4923 7.3211 118.4513 63.3675 37.0668 177.5219 29 V 4.3381 7.2364 117.2535 62.8589 31.4174 176.2478 30 E 4.1266 8.0354 119.8571 58.9499 30.0118 176.6267 31 N 5.2312 7.7971 115.4279 52.0242 40.0956 175.2503 32 E 4.3352 8.1165 117.6015 56.2412 30.3388 175.5117 33 D 4.5752 7.6956 114.2807 53.3443 44.7442 177.1605 34 K 3.8814 8.6380 125.3587 59.6296 32.3650 178.1068 35 R 4.2865 7.7468 113.8224 56.1367 30.6732 176.8914 36 K 4.4004 6.9508 115.0126 55.2599 33.3795 172.7290 37 P 4.8301 0.0000 0.0000 62.2031 33.2302 177.0881 38 Y 4.5149 7.4390 118.7802 57.3739 36.8268 175.2404 39 S 4.4676 7.5941 118.1168 57.8097 64.5776 175.4906 40 D 4.4144 8.8723 121.4066 57.2213 38.3517 179.0382 41 Q 3.9252 8.0157 119.9730 59.5830 29.2119 176.9340 42 E 4.0291 8.4644 120.7016 58.5067 29.6637 178.3291 43 I 3.6681 7.9005 118.4632 64.7497 37.2753 177.9272 44 A 4.0025 7.9214 119.8312 55.4084 18.4236 179.1448 45 N 4.4421 8.4702 115.2277 56.3665 38.4771 177.4334 46 I 3.7323 8.3608 121.9227 64.5285 37.1821 178.0157 47 L 3.7389 7.8378 119.8851 59.0417 39.7589 179.1944 48 K 3.9339 8.1828 119.6332 58.4944 32.2405 177.7222 49 E 4.0161 8.9129 117.8214 56.6135 29.5545 176.1982 50 K 3.5757 8.1622 119.7675 58.0743 31.0176 175.6342 51 G 3.5980 7.6992 103.0663 45.5118 0.0000 175.3219 52 F 4.6927 7.9489 118.8478 56.3542 41.1216 176.6391 53 K 4.5117 8.3750 121.7062 54.6004 31.7481 177.1784 54 V 4.3799 8.4247 125.2385 62.6771 33.0345 174.2806 55 A 4.9449 8.5550 126.6249 51.4502 20.6805 178.0905 56 R 3.9250 8.0327 121.7417 59.3084 30.2476 179.0576 57 R 3.9601 7.9771 117.8467 59.8967 30.2027 178.4562 58 T 3.9012 7.7500 114.8882 66.6281 68.1622 176.6544 59 V 3.4226 8.6992 121.0534 65.8465 31.4106 177.7411 60 A 4.1061 8.6763 121.2185 55.1509 18.0513 179.5357 61 K 3.9648 8.1375 117.9296 59.9830 32.3053 178.7361 62 Y 3.9151 8.4752 117.1033 60.9366 37.8701 177.9808 63 R 3.9691 9.2432 120.6778 59.8851 29.8136 178.0780 64 E 3.9871 7.8073 117.8084 59.4635 29.7635 178.4149 65 M 4.2503 7.6010 117.8889 57.9159 31.9568 176.0927 66 L 4.5317 8.0610 118.4264 54.5922 47.2010 175.9369 67 G 4.7973 7.9524 113.1509 45.1330 0.0000 173.0103 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 1 T 8.16 4.39 4.33 0.00 0.00 0.00 0.00 0.00 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 2 Y 7.30 4.53 0.00 3.19 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 3 S 6.47 4.03 0.00 3.06 3.58 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 0.00 0.00 0.00 0.00 4 L 8.17 4.05 0.00 1.44 1.39 0.87 0.91 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 5 R 8.44 3.61 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 6 T 7.81 4.13 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 1.17 0.00 0.00 7 F 8.11 4.75 0.00 3.07 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 8 F 8.28 4.76 0.00 2.89 2.91 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 0.00 0.00 0.00 9 V 7.43 4.43 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 0.75 0.00 0.00 0.97 0.00 0.00 10 R 7.14 3.71 0.00 1.57 1.78 0.00 3.23 0.00 0.00 3.19 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.00 11 E 7.71 3.92 0.00 1.87 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 2.25 2.27 0.00 12 S 8.30 3.66 0.00 3.99 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 13 A 8.18 4.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.68 4.22 0.00 2.06 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 0.00 2.39 2.33 0.00 15 G 8.22 4.10 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 0.00 0.00 0.00 16 L 7.26 4.00 0.00 1.76 1.82 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.14 4.39 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 18 Q 8.76 4.21 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 19 G 8.01 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.73 4.00 0.00 2.31 2.02 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 2.34 2.48 0.00 21 L 8.12 3.75 0.00 1.69 1.97 0.60 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.99 4.12 0.00 1.92 2.24 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 1.74 0.00 23 K 7.97 3.92 0.00 1.78 2.09 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 24 L 7.73 3.91 0.00 1.64 1.25 0.74 0.79 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 25 I 7.90 3.63 2.16 0.00 0.00 0.42 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 0.39 0.97 0.00 0.00 26 K 8.37 4.08 0.00 1.76 1.78 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.62 7.81 27 E 8.71 3.92 0.00 2.26 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 0.00 2.34 2.33 0.00 28 I 7.32 3.49 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.15 -0.07 0.00 0.00 29 V 7.24 4.34 2.18 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 1.01 0.00 0.00 0.96 0.00 0.00 30 E 8.04 4.13 0.00 1.99 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 2.29 2.36 0.00 31 N 7.80 5.23 0.00 2.77 2.79 0.00 0.00 6.94 7.68 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 32 E 8.12 4.34 0.00 2.13 2.22 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 2.34 2.32 0.00 33 D 7.70 4.58 0.00 2.65 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.64 3.88 0.00 1.74 1.79 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.44 7.81 35 R 7.75 4.29 0.00 1.80 1.91 0.00 3.44 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 36 K 6.95 4.40 0.00 1.56 1.50 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.16 1.29 7.81 37 P 0.00 4.83 0.00 2.18 2.35 0.00 3.35 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 38 Y 7.44 4.51 0.00 3.12 2.90 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 39 S 7.59 4.47 0.00 3.91 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 40 D 8.87 4.41 0.00 2.88 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 41 Q 8.02 3.93 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.14 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 42 E 8.46 4.03 0.00 2.33 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 2.38 2.56 0.00 43 I 7.90 3.67 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.87 0.00 0.00 44 A 7.92 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.47 4.44 0.00 3.04 2.91 0.00 0.00 7.29 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.36 3.73 2.06 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 1.64 1.16 0.99 0.00 0.00 47 L 7.84 3.74 0.00 2.00 2.00 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.18 3.93 0.00 1.79 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.49 7.81 49 E 8.91 4.02 0.00 2.13 2.23 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 0.00 2.28 2.30 0.00 50 K 8.16 3.58 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.30 7.81 51 G 7.70 3.60 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 0.00 0.00 0.00 52 F 7.95 4.69 0.00 3.01 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 53 K 8.38 4.51 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 54 V 8.42 4.38 2.01 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 0.48 0.00 0.00 0.89 0.00 0.00 55 A 8.56 4.94 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 56 R 8.03 3.93 0.00 1.83 2.00 0.00 3.31 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 57 R 7.98 3.96 0.00 1.84 1.92 0.00 3.36 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 58 T 7.75 3.90 4.36 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 0.86 0.00 0.00 59 V 8.70 3.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.87 0.00 0.00 60 A 8.68 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.14 3.96 0.00 2.10 2.07 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 62 Y 8.48 3.92 0.00 3.19 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 63 R 9.24 3.97 0.00 1.90 2.04 0.00 3.28 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 64 E 7.81 3.99 0.00 1.98 1.96 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 2.32 2.35 0.00 65 M 7.60 4.25 0.00 1.83 2.11 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.45 0.00 66 L 8.06 4.53 0.00 1.70 1.62 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.95 4.80 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