NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0174 8.0544 120.3927 62.2382 32.7590 174.8758 10 N 4.2092 8.3339 126.4398 53.1969 39.1503 170.5946 11 V 3.8179 9.3329 119.5270 63.2938 32.5908 175.9327 12 Q 4.6416 7.9000 116.7878 55.6063 30.3660 176.1409 13 R 4.6305 8.4394 118.1464 52.6968 30.6743 173.9018 14 P 4.2812 0.0000 0.0000 65.3918 31.6577 177.7945 15 L 4.0007 7.9224 116.9697 57.3637 41.4378 178.8652 16 D 4.3848 8.1282 119.0304 57.1730 40.4208 178.4237 17 A 3.9614 7.8090 120.7170 54.9444 18.4959 179.5020 18 L 3.9028 7.9787 118.0608 57.8295 41.5963 179.7240 19 G 4.0295 8.0348 105.1541 48.0217 0.0000 174.4362 20 N 4.8102 8.2196 115.3137 53.9458 38.7694 175.6553 21 S 4.6878 8.2430 116.4817 57.6369 64.5444 174.0569 22 L 4.1481 7.5447 120.7318 56.6420 41.6898 177.2221 23 N 4.3934 9.4853 119.0785 53.6894 37.2950 174.0577 24 S 4.9571 7.9657 114.8753 55.7072 66.2461 172.0102 25 P 4.8778 0.0000 0.0000 63.3394 31.9316 176.0196 26 V 4.7715 9.3000 115.4286 60.1006 37.1362 173.8321 27 I 4.9226 8.6313 122.6656 59.7572 39.9819 174.7641 28 I 4.7140 9.2917 129.2133 59.4730 39.4399 174.5933 29 K 4.3405 8.5860 130.1410 54.8738 33.0548 175.7191 30 L 4.9419 8.6831 128.2534 53.1809 44.2970 176.5763 31 K 3.9887 8.8874 121.1699 56.5769 33.4969 177.9151 32 G 3.8615 9.0826 106.2587 45.7596 0.0000 173.4850 33 D 4.2904 7.4429 116.9746 55.3870 38.9280 173.2616 34 R 4.6732 7.5430 118.3941 54.5994 33.4465 175.0442 35 E 5.1802 8.3543 124.2962 54.4752 33.6087 174.3163 36 F 5.2710 9.2061 122.9153 55.8438 43.6457 173.9662 37 R 5.0727 8.8042 121.3072 54.5499 34.0935 175.2521 38 G 4.1434 8.2837 108.5624 46.4986 0.0000 171.2598 39 V 4.6910 7.6785 120.6893 61.0687 32.9951 175.7669 40 L 4.5353 8.5535 131.0651 55.6872 42.2514 177.2000 41 K 4.6967 9.1992 125.4107 57.0565 34.6884 176.0480 42 S 4.6890 7.7437 112.2580 57.7752 65.6149 173.6158 43 F 5.9412 8.1208 116.2721 57.3177 40.2598 172.4408 44 D 5.0452 8.4081 119.5484 51.0058 42.1332 176.3147 45 L 4.1756 8.3331 117.9999 58.3081 40.6225 177.3608 46 H 4.5506 8.2326 115.7199 56.1572 29.2774 175.9539 47 M 3.4493 8.3857 118.8950 55.8208 29.8444 175.9701 48 N 5.0736 8.5879 116.9618 53.5403 39.9840 174.1808 49 L 5.0862 8.7839 121.0932 54.7913 44.7768 174.2009 50 V 4.8938 8.7430 119.5383 61.1475 34.3863 174.2892 51 L 5.3509 8.7446 126.7921 53.0959 45.2456 175.1467 52 N 5.2967 8.7805 118.3445 51.5353 42.0147 174.0251 53 D 4.3227 8.4805 119.4930 55.3846 39.1434 173.4376 54 A 4.9918 8.4350 121.2350 51.1380 21.9910 177.7410 55 E 5.0795 9.0181 118.2251 54.6705 34.0287 174.4281 56 E 3.9078 9.3889 125.9394 54.9291 31.1908 174.9272 57 L 5.1536 8.6247 126.3758 53.2733 45.7222 175.9855 58 E 4.4125 8.8914 121.0499 55.4929 33.2744 175.3535 59 D 4.3820 9.1822 127.2205 55.6086 37.9957 174.4236 60 G 3.9552 8.2888 100.8371 46.3575 0.0000 173.2740 61 E 4.4736 7.7164 118.8282 53.5953 32.3353 175.5782 62 V 4.0408 8.5790 124.5153 63.7139 31.6661 175.3197 63 T 4.5103 8.3254 117.2558 61.4937 70.0169 174.3272 64 R 4.5019 7.2667 119.9029 55.7691 33.4871 173.0150 65 R 5.1333 8.7615 123.5561 54.3926 33.2811 174.9056 66 L 4.7203 9.2031 123.6900 52.7192 44.9346 177.9509 67 G 3.9125 8.9444 111.1633 49.5499 0.0000 173.3338 68 T 5.3841 7.6612 114.7552 62.3169 72.8326 173.9324 69 V 4.4443 8.6944 124.0571 60.2791 35.3132 172.8745 70 L 4.9739 8.4336 125.4949 53.6591 43.5955 175.1388 71 I 4.4002 8.5244 127.8027 59.3050 39.6599 175.5681 72 R 4.5492 8.5456 126.4229 55.6791 30.9505 177.9347 73 G 3.9676 9.4035 111.9728 47.5107 0.0000 175.1948 74 D 4.3504 8.1208 118.2543 56.7339 41.4407 176.2884 75 N 4.7457 7.9704 114.9349 53.0569 38.9813 174.5148 76 I 4.3498 7.4342 120.2318 60.8372 38.2877 175.4832 77 V 4.2693 8.9010 125.4786 64.6495 32.4156 175.3137 78 Y 4.9947 7.2015 115.9762 56.0168 41.2393 173.0058 79 I 5.0285 8.5484 120.8333 59.6575 40.4530 174.8505 80 S 4.6339 9.3927 122.4840 55.6093 64.4399 172.3304 81 P 4.4436 0.0000 0.0000 62.8776 31.0709 176.5809 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 9 V 8.05 4.02 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 0.98 0.00 0.00 0.92 0.00 0.00 10 N 8.33 4.21 0.00 2.80 2.69 0.00 0.00 6.78 6.83 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 11 V 9.33 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 7.90 4.64 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.25 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 13 R 8.44 4.63 0.00 1.89 1.95 0.00 3.24 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 14 P 0.00 4.28 0.00 2.14 2.09 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 15 L 7.92 4.00 0.00 1.76 1.77 0.92 1.20 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 16 D 8.13 4.38 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.81 3.96 1.32 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 18 L 7.98 3.90 0.00 0.79 0.15 0.33 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.03 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 20 N 8.22 4.81 0.00 2.70 2.88 0.00 0.00 6.87 7.33 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 21 S 8.24 4.69 0.00 3.93 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 22 L 7.54 4.15 0.00 1.80 1.69 0.97 1.47 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 23 N 9.49 4.39 0.00 2.86 2.99 0.00 0.00 6.86 7.59 0.00 0.00 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 S 7.97 4.96 0.00 3.94 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.88 0.00 1.95 2.00 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 26 V 9.30 4.77 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 0.76 0.00 0.00 1.01 0.00 0.00 27 I 8.63 4.92 1.99 0.00 0.00 0.92 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 0.72 0.98 0.00 0.00 28 I 9.29 4.71 1.96 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 1.15 1.05 0.89 0.00 0.00 29 K 8.59 4.34 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.97 1.15 7.81 30 L 8.68 4.94 0.00 1.74 1.66 1.16 0.52 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 31 K 8.89 3.99 0.00 1.69 1.77 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.59 7.81 32 G 9.08 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.44 4.29 0.00 2.75 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 34 R 7.54 4.67 0.00 1.84 1.76 0.00 3.18 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 35 E 8.35 5.18 0.00 1.90 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.33 0.00 36 F 9.21 5.27 0.00 2.94 2.83 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 37 R 8.80 5.07 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 38 G 8.28 4.14 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 0.00 39 V 7.68 4.69 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 0.95 0.00 0.00 0.95 0.00 0.00 40 L 8.55 4.54 0.00 1.89 1.58 1.07 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.20 4.70 0.00 1.61 1.82 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.72 7.81 42 S 7.74 4.69 0.00 3.82 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.12 5.94 0.00 3.06 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 44 D 8.41 5.05 0.00 2.85 2.80 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 45 L 8.33 4.18 0.00 1.76 1.83 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.23 4.55 0.00 3.36 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.39 3.45 0.00 2.29 2.25 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 2.50 2.47 0.00 48 N 8.59 5.07 0.00 2.98 2.75 0.00 0.00 6.55 6.61 0.00 0.00 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 L 8.78 5.09 0.00 1.92 1.81 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.74 4.89 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 0.96 0.00 0.00 0.92 0.00 0.00 51 L 8.74 5.35 0.00 1.58 1.52 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.78 5.30 0.00 2.71 2.69 0.00 0.00 7.32 7.41 0.00 0.00 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 D 8.48 4.32 0.00 2.72 2.68 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 0.00 0.00 0.00 0.00 54 A 8.44 4.99 1.32 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 55 E 9.02 5.08 0.00 1.90 1.78 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 2.24 2.26 0.00 56 E 9.39 3.91 0.00 1.57 1.57 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 1.82 1.47 0.00 57 L 8.62 5.15 0.00 1.48 1.43 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.89 4.41 0.00 1.82 1.78 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 2.15 2.18 0.00 59 D 9.18 4.38 0.00 2.80 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 60 G 8.29 3.96 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 0.00 0.00 0.00 61 E 7.72 4.47 0.00 2.07 1.79 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 2.40 2.33 0.00 62 V 8.58 4.04 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 0.81 0.00 0.00 0.91 0.00 0.00 63 T 8.33 4.51 4.20 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 0.00 0.00 0.00 1.23 0.00 0.00 64 R 7.27 4.50 0.00 1.84 1.74 0.00 3.14 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 65 R 8.76 5.13 0.00 1.70 1.81 0.00 3.21 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 66 L 9.20 4.72 0.00 1.57 1.55 1.07 0.71 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 67 G 8.94 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 0.00 0.00 0.00 68 T 7.66 5.38 4.24 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 1.24 0.00 0.00 69 V 8.69 4.44 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 0.47 0.00 0.00 0.70 0.00 0.00 70 L 8.43 4.97 0.00 1.61 1.56 0.93 0.98 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 71 I 8.52 4.40 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.46 0.82 0.00 0.00 72 R 8.55 4.55 0.00 1.86 1.84 0.00 3.12 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 1.60 0.00 73 G 9.40 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 0.00 0.00 0.00 74 D 8.12 4.35 0.00 2.65 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 75 N 7.97 4.75 0.00 2.74 2.82 0.00 0.00 6.84 7.90 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 76 I 7.43 4.35 1.99 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 1.16 0.62 0.90 0.00 0.00 77 V 8.90 4.27 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 0.90 0.00 0.00 0.96 0.00 0.00 78 Y 7.20 4.99 0.00 3.00 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 79 I 8.55 5.03 1.88 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 1.23 0.70 0.90 0.00 0.00 80 S 9.39 4.63 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 81 P 0.00 4.44 0.00 2.08 1.95 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00