NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3141 8.1593 117.3734 62.8980 70.2628 173.0482 2 P 4.5906 0.0000 0.0000 61.2156 33.4934 173.5974 3 D 4.5094 8.8212 121.0934 55.3531 41.5280 176.3845 4 C 4.9543 8.9295 119.4480 57.4244 45.0073 173.9870 5 V 4.7178 7.3101 116.3000 60.4788 35.0626 173.6194 6 T 5.3766 8.0053 116.3600 60.5410 72.6699 174.6168 7 G 3.8345 7.8821 111.1996 45.2662 0.0000 171.7006 8 K 4.5521 7.8365 119.0226 55.0144 32.9378 177.0692 9 V 4.0571 7.9318 119.9880 61.7419 30.8660 175.2526 10 E 4.3318 8.6627 127.9872 59.1276 29.4739 177.2023 11 Y 5.1307 7.2867 115.8262 55.8840 41.5127 173.0717 12 T 5.1230 8.7310 110.7836 59.7620 72.1913 173.3236 13 K 4.4679 8.6281 123.3666 55.1115 35.3011 174.9675 14 Y 4.6801 8.9854 127.3141 57.3323 38.1570 174.9367 15 N 4.6749 8.2962 123.4398 52.8654 39.6988 175.5112 16 D 4.5652 8.6691 118.4301 57.3553 41.5134 176.8684 17 D 4.4230 8.0834 116.8421 56.0951 38.9486 176.6115 18 D 4.5626 8.2785 115.0207 53.8248 38.4923 175.6281 19 T 4.2018 10.2686 115.7765 62.0498 68.6873 172.7744 20 F 4.9682 8.5634 129.3855 57.1056 42.0701 174.5341 21 T 5.2093 6.9811 119.1164 61.9104 72.6466 173.3206 22 V 4.7483 8.9783 118.4617 59.3552 36.1599 174.5013 23 K 4.9394 8.3659 126.1094 54.0164 33.5250 174.9611 24 V 4.5169 7.7399 127.4865 60.7455 34.4967 174.5977 25 G 4.0098 9.0148 117.0610 47.1242 0.0000 174.4420 26 D 5.0322 8.5997 119.0240 52.0183 39.8485 175.7500 27 K 4.7882 7.7511 117.2689 55.8926 37.4331 175.8773 28 E 4.7318 8.8988 125.0122 54.7293 31.4140 174.6466 29 L 5.6091 8.9319 127.3348 52.9357 45.7363 175.6503 30 F 6.1289 9.1453 115.0776 54.6723 41.3677 173.5958 31 T 4.0739 8.2321 113.2243 60.5795 70.5343 173.8294 32 N 4.5350 8.5409 123.1580 53.5547 39.2315 176.1233 33 R 4.0517 7.6323 119.5665 55.4327 30.7409 176.4220 34 W 4.3840 9.0890 122.6995 60.1901 28.1118 177.4945 35 N 4.3036 7.5528 117.8599 55.4254 38.4424 176.3258 36 L 4.0227 7.7937 121.1756 58.1897 42.0608 178.8136 37 Q 3.7942 7.6632 116.8201 58.5842 28.5592 178.4304 38 S 4.2023 8.0540 116.4128 61.0909 62.7913 176.6266 39 L 3.8612 7.7733 121.4074 57.8268 41.3750 179.3579 40 L 4.2774 7.9514 118.6249 57.5917 41.4723 179.4363 41 L 4.0840 7.8894 120.2840 58.4600 40.8095 179.3056 42 S 4.1487 8.6823 115.1109 61.1546 62.7496 176.7239 43 A 4.0014 8.3066 124.1279 55.3205 18.2394 179.0601 44 Q 3.9660 8.4587 118.3321 59.5096 28.9915 178.1208 45 I 4.0463 7.8916 116.4245 62.4036 38.0284 175.8761 46 T 4.5196 7.1318 106.1476 60.9185 69.8644 173.9738 47 G 3.7868 8.2794 110.0268 47.0926 0.0000 173.9303 48 M 4.5020 7.8396 118.9635 55.0111 34.1411 175.3208 49 T 4.9087 8.3691 115.6286 62.0959 71.6213 174.3025 50 V 4.8127 8.5382 118.0492 59.7368 36.3057 174.6019 51 T 4.8344 8.2028 118.4416 61.9570 71.6008 173.1346 52 I 4.6175 8.2619 127.5788 59.6299 39.2805 174.8221 53 K 4.9801 8.0273 125.9983 54.8879 33.9909 175.6370 54 T 4.0553 7.8344 116.6575 62.2659 70.6250 172.7321 55 N 4.4630 9.1041 123.5064 56.1086 39.6141 177.7341 56 A 4.3040 7.7080 122.4260 52.0117 17.2119 178.9496 57 C 5.0095 7.7141 122.5570 55.2378 40.1098 171.2692 58 H 4.8930 7.4519 117.8033 53.5762 31.2864 173.6290 59 N 4.5601 8.7113 117.5782 55.2460 38.6396 176.1144 60 G 4.0250 9.1397 109.6421 45.5591 0.0000 174.2862 61 G 4.3166 8.0218 108.2589 45.8553 0.0000 173.1227 62 G 4.1791 8.7819 109.6252 44.2165 0.0000 172.6881 63 F 5.2467 7.7065 116.7976 55.0727 41.3217 175.3362 64 S 4.4146 8.6311 109.5222 58.5381 65.2993 173.2616 65 E 4.8116 8.2705 121.1298 54.8635 32.5333 174.9393 66 V 4.7801 8.3523 122.7202 61.3075 35.3399 173.9090 67 I 4.3776 8.1484 126.9645 59.5083 39.8716 174.6071 68 F 4.5408 8.8573 126.7677 56.4383 39.7660 176.3058 69 R 4.2745 8.5073 122.6198 56.3246 29.6445 176.6526 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 4.31 4.23 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 0.00 0.00 1.22 0.00 0.00 2 P 0.00 4.59 0.00 2.18 2.15 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 3 D 8.82 4.51 0.00 2.53 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 4 C 8.93 4.95 0.00 2.91 3.15 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 5 V 7.31 4.72 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 0.64 0.00 0.00 0.92 0.00 0.00 6 T 8.01 5.38 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 7 G 7.88 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 8 K 7.84 4.55 0.00 1.75 1.77 0.00 1.79 0.00 0.00 2.30 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.37 7.81 9 V 7.93 4.06 2.11 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 0.86 0.00 0.00 0.93 0.00 0.00 10 E 8.66 4.33 0.00 1.81 1.99 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 2.34 2.21 0.00 11 Y 7.29 5.13 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 5.12 4.40 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 1.43 0.00 0.00 13 K 8.63 4.47 0.00 1.83 1.96 0.00 1.25 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.35 7.81 14 Y 8.99 4.68 0.00 3.30 3.04 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 0.00 0.00 0.00 0.00 15 N 8.30 4.67 0.00 3.04 2.77 0.00 0.00 6.91 7.94 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 16 D 8.67 4.57 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.08 4.42 0.00 2.79 2.82 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 18 D 8.28 4.56 0.00 2.74 3.05 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 19 T 10.27 4.20 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 1.34 0.00 0.00 20 F 8.56 4.97 0.00 3.15 3.15 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 21 T 6.98 5.21 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 1.28 0.00 0.00 22 V 8.98 4.75 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 0.84 0.00 0.00 0.87 0.00 0.00 23 K 8.37 4.94 0.00 0.79 0.74 0.00 1.32 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.01 1.08 7.81 24 V 7.74 4.52 1.89 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 0.86 0.00 0.00 0.74 0.00 0.00 25 G 9.01 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 26 D 8.60 5.03 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 4.79 0.00 1.66 1.63 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.47 7.81 28 E 8.90 4.73 0.00 2.14 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 2.28 2.29 0.00 29 L 8.93 5.61 0.00 1.43 1.65 0.70 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.15 6.13 0.00 3.35 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 31 T 8.23 4.07 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 32 N 8.54 4.54 0.00 2.73 2.87 0.00 0.00 7.01 7.66 0.00 0.00 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 R 7.63 4.05 0.00 1.72 1.78 0.00 3.29 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 34 W 9.09 4.38 0.00 3.16 3.14 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 35 N 7.55 4.30 0.00 1.84 2.40 0.00 0.00 6.70 6.66 0.00 0.00 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 L 7.79 4.02 0.00 1.68 1.63 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.66 3.79 0.00 2.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.00 2.52 0.00 38 S 8.05 4.20 0.00 3.85 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 39 L 7.77 3.86 0.00 1.89 1.20 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.95 4.28 0.00 2.01 2.03 1.33 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.89 4.08 0.00 1.95 1.72 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.68 4.15 0.00 3.93 3.88 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 43 A 8.31 4.00 1.60 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 44 Q 8.46 3.97 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 45 I 7.89 4.05 1.92 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 1.60 0.96 1.02 0.00 0.00 46 T 7.13 4.52 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 1.31 0.00 0.00 47 G 8.28 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 48 M 7.84 4.50 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 49 T 8.37 4.91 4.23 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 0.00 0.00 1.17 0.00 0.00 50 V 8.54 4.81 1.70 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 0.74 0.00 0.00 0.76 0.00 0.00 51 T 8.20 4.83 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 52 I 8.26 4.62 1.54 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.30 0.34 0.00 0.00 53 K 8.03 4.98 0.00 1.61 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.28 7.81 54 T 7.83 4.06 4.30 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 1.20 0.00 0.00 55 N 9.10 4.46 0.00 2.77 2.86 0.00 0.00 6.92 7.35 0.00 0.00 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 A 7.71 4.30 1.34 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 0.00 0.00 0.00 57 C 7.71 5.01 0.00 2.92 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 58 H 7.45 4.89 0.00 3.36 3.38 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.71 4.56 0.00 2.77 2.87 0.00 0.00 6.96 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 60 G 9.14 4.03 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 0.00 0.00 0.00 61 G 8.02 4.32 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 0.00 62 G 8.78 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 63 F 7.71 5.25 0.00 3.08 2.87 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 64 S 8.63 4.41 0.00 3.86 3.76 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 0.00 0.00 0.00 65 E 8.27 4.81 0.00 2.06 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 2.28 2.26 0.00 66 V 8.35 4.78 1.81 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 -0.08 0.00 0.00 0.99 0.00 0.00 67 I 8.15 4.38 1.76 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 1.19 0.49 0.89 0.00 0.00 68 F 8.86 4.54 0.00 2.94 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 69 R 8.51 4.27 0.00 1.90 1.84 0.00 3.15 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00