NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3065 8.4293 118.7958 56.1576 31.9461 176.2484 4 R 3.9828 8.0834 115.8412 54.3784 30.5857 174.9681 5 P 4.1477 0.0000 0.0000 66.2351 32.1656 180.1090 6 L 3.9554 7.8864 116.7465 57.6297 41.4995 179.2392 7 D 4.3131 8.0929 119.1334 57.2283 40.5440 178.8333 8 V 3.5299 7.6092 116.9080 66.1410 31.9573 177.5518 9 I 3.6440 7.4387 119.2620 64.5962 36.6279 177.9058 10 H 3.9981 8.0738 119.0608 59.2682 29.5048 177.3977 11 R 4.0308 8.0247 118.2977 58.1753 30.1443 177.9689 12 S 4.5457 7.5377 114.1960 57.2204 63.1935 173.8776 13 L 4.2957 6.9107 122.5139 56.3334 41.8164 176.7543 14 D 4.5140 9.4960 121.0999 54.8700 39.1659 173.6361 15 K 4.7626 7.6530 118.2033 54.1159 36.0951 175.1382 16 D 4.9510 8.5698 122.3929 54.7736 42.6255 175.4038 17 V 4.9760 9.0489 117.8718 59.6838 36.9919 173.7048 18 L 5.0387 8.9274 124.3433 53.3948 44.4910 175.1284 19 V 4.6389 9.1308 126.9890 61.3421 33.6275 174.2383 20 I 4.4718 8.7599 130.6317 60.5213 38.4277 175.8608 21 L 4.9881 8.7912 127.4395 52.5620 44.3376 178.2454 22 K 4.5718 8.1005 119.3035 56.0545 29.9056 178.5586 23 K 4.4787 9.1669 116.3293 55.9630 35.1388 177.4352 24 G 3.7984 8.4340 106.9557 46.3156 0.0000 172.6138 25 F 5.3250 7.6253 118.4128 56.0467 42.4605 173.7635 26 E 4.9535 8.2953 121.9043 55.0928 33.6831 173.6137 27 F 5.3941 9.1091 118.3965 55.8459 43.0579 174.7511 28 R 5.0395 8.7619 119.9031 54.6232 34.5479 174.9498 29 G 4.0804 8.1717 108.0834 46.2659 0.0000 171.3048 30 R 4.8477 8.0887 120.7483 54.9210 31.4992 175.5737 31 L 4.7021 9.0111 130.1841 55.3278 42.5987 176.8043 32 I 4.3850 8.5180 119.4645 60.6506 39.2727 175.1911 33 G 4.2225 7.6443 108.6702 46.3363 0.0000 171.4771 34 Y 5.3439 7.7434 117.2707 56.7719 40.6555 172.1242 35 D 4.7086 8.5279 118.3064 51.3559 42.6877 176.0415 36 I 3.7778 8.2458 118.1270 63.6930 37.8633 175.7726 37 H 4.6241 8.2503 115.5567 55.6095 28.7520 175.2208 38 L 3.8098 8.0265 118.3685 55.6670 39.6021 174.1676 39 N 4.8850 8.2667 115.8338 53.4129 39.9058 174.6552 40 V 5.0336 8.7718 114.9609 59.5758 36.6240 174.5259 41 V 4.8048 8.6495 121.8004 61.2011 34.1609 174.3841 42 L 5.3306 8.9079 127.0517 52.9000 45.3292 175.2375 43 A 4.9980 8.9281 123.3245 50.3836 22.0896 175.9094 44 D 4.5901 8.6046 118.4608 55.3467 39.0790 173.3982 45 A 5.1269 8.4157 121.5310 50.9631 22.0950 177.6102 46 E 5.1616 8.9910 116.5361 54.9618 33.4915 174.0394 47 M 4.4752 9.2105 123.3903 54.6583 34.0081 174.5060 48 I 4.8284 8.5339 127.6840 59.5254 40.2080 174.3675 49 Q 4.6676 8.8058 127.8381 54.5499 31.9342 174.8939 50 D 4.2637 9.2747 129.0222 55.3663 39.0464 175.1334 51 G 4.0107 8.7480 107.2884 44.9055 0.0000 173.7209 52 E 4.6894 7.7442 117.2675 53.8391 32.2633 175.4634 53 V 4.1280 8.2759 120.5090 63.2524 31.7827 175.9855 54 V 4.4787 8.3906 119.6393 61.2407 33.3737 175.6739 55 K 4.4929 7.5691 118.2021 55.4910 36.4632 174.6307 56 R 4.9603 7.7885 119.9786 54.8348 34.3593 174.3173 57 Y 4.7216 9.3024 119.0690 56.2985 42.1254 176.6849 58 G 3.7348 9.0258 110.7789 49.1413 0.0000 173.3591 59 K 5.1498 7.7724 119.4657 55.0422 35.4168 175.1286 60 I 4.4598 8.9184 126.9405 59.3247 41.8104 173.5350 61 V 4.4920 8.2566 128.8723 61.5650 32.7695 174.5969 62 I 4.3573 8.5360 129.5865 59.4291 39.4938 175.4997 63 R 4.5699 8.5527 126.3315 55.4723 30.9475 177.9665 64 G 3.7222 9.7415 112.3504 48.5031 0.0000 175.1424 65 D 4.3203 8.1409 118.2505 56.6652 41.3710 176.3461 66 N 4.6955 7.9947 114.9205 53.4306 39.2661 174.7621 67 V 4.1228 7.6429 119.5384 62.3588 32.4296 175.1416 68 L 4.4094 9.0405 129.9774 57.3479 42.6714 176.1245 69 A 4.7024 7.5508 117.6086 51.1279 22.7740 174.7979 70 I 5.0563 8.1990 118.9841 59.6311 41.0700 175.1108 71 S 4.7394 9.1001 121.2238 55.5347 65.3100 171.3035 72 P 4.6477 0.0000 0.0000 63.2091 32.0904 176.4382 73 T 4.2607 8.6137 118.9473 63.7289 68.2091 174.5918 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 3 E 8.43 4.31 0.00 2.09 2.15 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 2.17 2.30 0.00 4 R 8.08 3.98 0.00 2.01 2.09 0.00 2.81 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 2.19 1.65 0.00 5 P 0.00 4.15 0.00 2.16 2.16 0.00 3.59 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 2.12 2.21 0.00 6 L 7.89 3.96 0.00 1.65 1.74 1.00 1.07 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 7 D 8.09 4.31 0.00 2.83 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 8 V 7.61 3.53 2.20 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 0.82 0.00 0.00 0.95 0.00 0.00 9 I 7.44 3.64 1.54 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 0.26 0.00 0.00 10 H 8.07 4.00 0.00 3.33 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.02 4.03 0.00 1.92 1.96 0.00 3.19 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 12 S 7.54 4.55 0.00 3.95 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 13 L 6.91 4.30 0.00 1.59 1.62 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.50 4.51 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.76 0.00 1.86 1.65 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.52 7.81 16 D 8.57 4.95 0.00 2.81 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 17 V 9.05 4.98 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 0.73 0.00 0.00 0.93 0.00 0.00 18 L 8.93 5.04 0.00 1.71 1.63 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.13 4.64 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 1.08 0.00 0.00 0.95 0.00 0.00 20 I 8.76 4.47 1.89 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 1.23 0.43 0.93 0.00 0.00 21 L 8.79 4.99 0.00 1.91 1.75 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.10 4.57 0.00 1.62 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.75 7.81 23 K 9.17 4.48 0.00 1.75 1.70 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 24 G 8.43 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 0.00 0.00 0.00 25 F 7.63 5.33 0.00 2.95 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 26 E 8.30 4.95 0.00 1.98 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 2.06 2.15 0.00 27 F 9.11 5.39 0.00 2.95 2.81 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 28 R 8.76 5.04 0.00 1.76 1.77 0.00 3.17 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 29 G 8.17 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.09 4.85 0.00 1.92 1.82 0.00 3.10 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 31 L 9.01 4.70 0.00 1.80 1.72 1.04 0.80 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 32 I 8.52 4.38 1.88 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 1.28 0.85 0.97 0.00 0.00 33 G 7.64 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 34 Y 7.74 5.34 0.00 3.00 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 35 D 8.53 4.71 0.00 2.85 2.72 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 I 8.25 3.78 1.83 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 1.38 0.63 0.66 0.00 0.00 37 H 8.25 4.62 0.00 3.34 3.33 0.00 5.81 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.03 3.81 0.00 1.86 1.83 0.93 0.90 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 39 N 8.27 4.88 0.00 2.98 2.74 0.00 0.00 6.77 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 40 V 8.77 5.03 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 0.76 0.00 0.00 0.91 0.00 0.00 41 V 8.65 4.80 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 1.04 0.00 0.00 0.91 0.00 0.00 42 L 8.91 5.33 0.00 1.52 1.49 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.93 5.00 1.21 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 44 D 8.60 4.59 0.00 2.76 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 45 A 8.42 5.13 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 46 E 8.99 5.16 0.00 2.03 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 2.42 2.26 0.00 47 M 9.21 4.48 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 2.18 0.00 48 I 8.53 4.83 1.71 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 1.04 0.74 0.86 0.00 0.00 49 Q 8.81 4.67 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.27 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 50 D 9.27 4.26 0.00 2.88 2.72 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 51 G 8.75 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 52 E 7.74 4.69 0.00 2.13 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 2.40 2.20 0.00 53 V 8.28 4.13 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 0.80 0.00 0.00 0.92 0.00 0.00 54 V 8.39 4.48 2.12 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 0.78 0.00 0.00 1.09 0.00 0.00 55 K 7.57 4.49 0.00 1.69 1.18 0.00 1.57 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.56 7.81 56 R 7.79 4.96 0.00 1.48 1.67 0.00 3.11 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 57 Y 9.30 4.72 0.00 2.85 2.78 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 0.00 0.00 0.00 58 G 9.03 3.73 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 0.00 0.00 0.00 59 K 7.77 5.15 0.00 1.74 1.64 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.53 7.81 60 I 8.92 4.46 1.44 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.09 0.52 0.00 0.00 61 V 8.26 4.49 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 0.81 0.00 0.00 0.88 0.00 0.00 62 I 8.54 4.36 1.76 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.13 0.89 0.00 0.00 63 R 8.55 4.57 0.00 1.88 1.85 0.00 3.13 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 64 G 9.74 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 0.00 0.00 0.00 65 D 8.14 4.32 0.00 2.66 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 66 N 7.99 4.70 0.00 2.83 2.91 0.00 0.00 6.46 9.03 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 67 V 7.64 4.12 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 0.82 0.00 0.00 1.03 0.00 0.00 68 L 9.04 4.41 0.00 1.66 1.86 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.55 4.70 1.21 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 70 I 8.20 5.06 1.85 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 1.24 0.72 0.93 0.00 0.00 71 S 9.10 4.74 0.00 3.82 3.65 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 0.00 0.00 0.00 0.00 72 P 0.00 4.65 0.00 2.10 2.01 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 73 T 8.61 4.26 4.45 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 1.21 0.00 0.00