NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2511 8.1685 120.1339 56.2925 33.8696 175.9780 2 A 3.9735 8.2050 120.6273 53.6641 18.3975 176.2508 3 E 3.9068 8.2348 118.2112 59.3240 30.2314 177.1694 4 R 3.8899 7.8706 118.4355 59.2394 30.3054 178.2435 5 K 3.9663 7.8487 119.7190 59.4431 31.9547 178.8282 6 R 3.9289 7.7020 117.8918 59.5464 29.8279 178.0703 7 M 4.2389 7.8023 118.6777 58.1430 32.0759 178.9112 8 R 4.0223 8.1593 118.3841 59.0608 30.1421 178.4193 9 N 4.4371 8.3496 116.6683 56.0362 39.0125 177.0086 10 R 3.8984 7.5509 119.4060 59.3460 30.1250 178.4536 11 I 3.7993 7.7096 119.1056 64.0988 37.2315 178.0255 12 A 3.9805 7.9614 121.5120 55.0548 18.2001 179.5993 13 A 3.9912 8.3104 119.8401 55.2062 18.5007 180.0479 14 S 4.1402 8.0211 112.4207 61.2758 63.1970 176.6764 15 K 3.9620 8.2813 123.5132 59.1458 31.9630 178.8495 16 S 4.0488 8.1179 113.5628 61.4506 62.3729 176.2205 17 R 3.9203 7.9853 120.7673 59.0784 29.7520 178.7770 18 K 3.8545 8.1330 119.5070 59.6434 32.2842 178.7854 19 R 4.4199 7.8460 116.2029 57.3722 29.5812 178.7506 20 K 3.9417 7.8793 119.8082 59.5997 32.1206 179.0790 21 L 4.0092 7.8900 119.2465 57.8684 41.2442 179.3210 22 E 3.9741 8.5874 118.9639 59.4820 29.3841 179.5446 23 R 3.9063 8.0414 118.6709 59.3877 30.1992 178.5055 24 I 3.6913 7.8555 119.4504 64.4454 37.1153 178.2947 25 A 4.0238 8.1562 121.4950 55.0693 18.1078 179.9418 26 R 3.8641 7.9397 116.4474 59.4047 30.2580 179.1537 27 L 3.9865 7.9263 118.6952 58.0561 41.6399 179.6036 28 E 4.0145 8.3035 118.3552 59.4206 29.3180 179.2905 29 E 4.0219 8.3949 118.7607 59.0083 29.4933 179.2001 30 K 3.9134 8.4307 120.3080 59.6428 32.2760 179.2435 31 V 3.7470 7.8246 112.3456 63.7046 31.3076 178.5100 32 K 3.9305 8.0108 119.8394 59.7921 32.0084 178.7772 33 T 3.9228 8.1895 113.4301 64.8616 67.1987 176.3872 34 L 4.0942 8.1203 121.1522 57.3608 41.7154 179.3301 35 K 3.9808 8.2609 118.4623 59.2878 31.8799 179.2484 36 A 3.9699 7.7605 121.0037 55.2616 18.2763 179.7316 37 Q 3.9199 7.8898 116.2378 59.0500 28.7099 178.4468 38 N 4.3191 8.4910 117.9798 56.8089 38.6263 177.6048 39 S 4.1165 8.0027 115.9641 61.4539 62.8788 176.5002 40 E 3.9477 8.3317 121.3243 59.6806 29.3123 179.5754 41 L 4.0174 8.6639 119.2395 57.6080 41.6077 179.4367 42 A 4.1226 8.3112 121.2261 54.7210 18.5303 179.8059 43 S 4.1015 8.2971 113.0909 61.7754 63.1075 176.9253 44 T 3.7895 7.9576 119.1330 66.2782 68.1604 176.1975 45 A 4.0017 7.9333 122.6343 55.3731 18.4880 179.2677 46 N 4.2426 8.0897 114.6776 57.0313 38.3175 177.5766 47 M 4.3929 8.6230 119.9035 58.1862 32.0400 178.5306 48 L 4.1825 7.9092 118.8416 56.7799 42.0715 178.9681 49 R 3.9192 8.3341 119.6388 59.3451 29.8781 178.4022 50 E 3.9804 8.1119 117.0270 59.6152 29.6104 179.1735 51 Q 4.0285 7.8625 118.4319 58.3259 28.6390 179.0987 52 V 3.5427 7.5931 118.8192 65.9345 31.5788 177.7233 53 A 4.2203 7.9888 117.5609 53.7618 18.2730 178.2141 54 Q 4.4101 7.6748 115.0046 56.4549 30.2283 177.2377 55 L 4.3440 7.7646 119.5080 56.0663 41.5640 177.8573 56 K 4.4593 7.7353 117.2220 57.1185 32.6549 176.8034 57 Q 4.6249 7.9372 120.5000 54.5195 31.1694 176.0240 58 K 4.0883 8.8616 117.6843 57.1313 32.0798 175.4262 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 K 8.17 4.25 0.00 1.80 1.90 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.39 7.81 2 A 8.20 3.97 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 3 E 8.23 3.91 0.00 2.05 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 2.37 2.36 0.00 4 R 7.87 3.89 0.00 1.92 2.04 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 5 K 7.85 3.97 0.00 1.90 1.78 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 6 R 7.70 3.93 0.00 2.18 2.04 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 7 M 7.80 4.24 0.00 2.05 2.22 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 2.73 2.57 0.00 8 R 8.16 4.02 0.00 1.86 1.97 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 9 N 8.35 4.44 0.00 2.93 2.94 0.00 0.00 6.78 7.01 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 10 R 7.55 3.90 0.00 2.13 2.09 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 11 I 7.71 3.80 2.01 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 1.57 0.57 0.91 0.00 0.00 12 A 7.96 3.98 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 13 A 8.31 3.99 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 14 S 8.02 4.14 0.00 4.09 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 15 K 8.28 3.96 0.00 1.92 2.05 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 16 S 8.12 4.05 0.00 4.06 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 17 R 7.99 3.92 0.00 2.18 1.97 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 18 K 8.13 3.85 0.00 2.03 1.97 0.00 1.63 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 1.57 1.46 7.81 19 R 7.85 4.42 0.00 2.11 2.26 0.00 3.15 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.52 0.00 20 K 7.88 3.94 0.00 2.11 1.89 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 21 L 7.89 4.01 0.00 1.87 1.71 0.92 1.00 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 22 E 8.59 3.97 0.00 2.10 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 0.00 2.33 2.32 0.00 23 R 8.04 3.91 0.00 2.00 2.08 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 24 I 7.86 3.69 2.01 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 1.70 1.03 0.91 0.00 0.00 25 A 8.16 4.02 1.37 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 0.00 0.00 0.00 26 R 7.94 3.86 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 27 L 7.93 3.99 0.00 1.86 1.72 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.30 4.01 0.00 2.02 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 2.33 2.51 0.00 29 E 8.39 4.02 0.00 2.24 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 2.33 2.35 0.00 30 K 8.43 3.91 0.00 1.91 1.95 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 31 V 7.82 3.75 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 0.79 0.00 0.00 0.93 0.00 0.00 32 K 8.01 3.93 0.00 2.00 1.98 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 33 T 8.19 3.92 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 1.30 0.00 0.00 34 L 8.12 4.09 0.00 1.74 1.69 0.95 0.70 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 35 K 8.26 3.98 0.00 2.05 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 36 A 7.76 3.97 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 7.89 3.92 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 38 N 8.49 4.32 0.00 3.00 2.89 0.00 0.00 7.07 7.14 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 39 S 8.00 4.12 0.00 4.04 3.91 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 40 E 8.33 3.95 0.00 2.18 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 2.33 2.50 0.00 41 L 8.66 4.02 0.00 1.97 1.72 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.31 4.12 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 43 S 8.30 4.10 0.00 4.06 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 44 T 7.96 3.79 4.39 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 1.21 0.00 0.00 45 A 7.93 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 46 N 8.09 4.24 0.00 3.09 2.89 0.00 0.00 7.08 7.82 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 47 M 8.62 4.39 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 48 L 7.91 4.18 0.00 1.86 1.70 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.33 3.92 0.00 2.13 1.92 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 50 E 8.11 3.98 0.00 2.37 2.19 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 2.43 2.49 0.00 51 Q 7.86 4.03 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 52 V 7.59 3.54 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 1.01 0.00 0.00 0.93 0.00 0.00 53 A 7.99 4.22 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.67 4.41 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 55 L 7.76 4.34 0.00 2.00 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.74 4.46 0.00 1.88 1.89 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.40 7.81 57 Q 7.94 4.62 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 58 K 8.86 4.09 0.00 1.80 1.98 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.15 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.28 7.81