NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4463 8.3349 115.2932 58.3153 62.6395 172.4701 8 D 4.7412 8.1775 126.9459 51.2515 42.8758 174.6426 9 F 5.3553 8.1662 115.2777 55.4766 41.8736 173.1804 10 V 4.5876 9.0195 120.0909 61.1943 34.3322 174.3141 11 V 4.4140 9.0645 128.0618 61.7362 33.3125 174.4364 12 I 4.8651 8.8744 129.0217 59.4561 40.2759 174.2910 13 K 5.0172 9.2492 129.5723 54.1676 34.4042 175.1181 14 A 4.3610 8.8231 130.6355 52.4906 18.7636 177.5445 15 L 4.7070 8.6426 122.5803 55.1642 42.9118 175.8569 16 E 4.8140 7.8216 115.2200 54.4055 33.2516 174.7192 17 D 4.5509 8.6656 119.3051 55.2848 41.4827 176.7164 18 G 3.8274 8.3302 108.7929 46.2398 0.0000 173.8634 19 V 3.9010 7.9304 120.3326 62.7352 32.7989 174.3892 20 N 5.3395 9.3214 125.4960 51.5102 41.2135 173.7981 21 V 4.7099 8.6439 123.9290 61.3931 33.7381 174.1021 22 I 4.6714 8.9033 129.9860 59.4556 39.7102 174.9447 23 G 4.3599 9.2453 114.7851 44.7804 0.0000 172.8098 24 L 5.7432 9.6447 126.1494 53.2630 43.8404 176.1141 25 T 4.7125 8.4436 112.4680 61.1273 70.0317 174.3684 26 R 4.1849 7.9982 126.3941 55.5515 30.8086 176.1583 27 G 4.1203 8.9279 111.5330 42.9405 0.0000 172.7831 28 A 4.0934 8.4443 122.8965 54.2291 18.3881 177.5900 29 D 5.0332 7.7922 112.6791 51.7041 42.0204 175.4317 30 T 4.7357 8.2538 116.4475 61.8963 71.5731 173.3438 31 R 4.4525 8.3779 121.5649 54.0402 33.9777 174.4504 32 F 5.1933 8.3430 118.6469 57.5278 38.3473 175.3490 33 H 4.7018 8.9481 120.5569 56.9539 29.6238 175.2194 34 H 4.7648 7.5388 118.8126 55.0124 33.1984 171.9727 35 S 4.9669 8.3713 119.7484 56.4332 64.7993 172.4866 36 E 4.5868 9.4418 128.6294 54.6575 31.9006 174.0668 37 K 4.8935 8.4732 125.7773 54.6663 34.4205 175.1761 38 L 4.7415 9.1221 126.9845 53.1596 44.8888 175.3578 39 D 5.0542 9.2601 124.4209 52.9076 43.0466 175.8036 40 K 4.4119 8.4331 122.2195 57.5613 32.0255 176.4183 41 G 3.9619 9.5696 117.2063 44.9762 0.0000 172.7598 42 E 4.3835 8.0410 120.1312 55.6333 31.0361 175.5757 43 V 4.9010 8.2992 123.0658 61.0370 34.0061 174.3467 44 L 4.7389 9.1260 129.1222 53.2902 45.0234 174.7712 45 I 4.8057 8.4025 126.5582 59.5623 39.0614 174.8198 46 A 4.6710 8.8234 128.7748 50.1598 21.9499 174.9209 47 Q 4.8298 8.6586 121.2585 54.8349 30.4599 175.7666 48 F 4.7584 8.6261 122.0684 57.8189 39.7037 174.9436 49 T 4.7871 9.0971 112.8919 59.2664 71.9981 173.1974 50 E 4.0278 9.0403 121.3541 59.6970 29.4200 177.5234 51 H 4.5524 8.1954 113.9552 56.7211 29.7983 174.3850 52 T 5.4940 8.1906 116.2180 60.7775 70.7891 174.4732 53 S 4.7096 8.9380 119.2610 57.7304 65.0778 173.2141 54 A 5.0304 8.0148 122.1261 51.2188 22.4708 175.2144 55 I 4.9139 8.9021 123.0785 59.3359 39.9239 174.9051 56 K 4.5454 9.1297 128.0607 54.5544 34.7096 174.5973 57 V 4.7816 8.4798 127.3626 61.3702 33.2702 174.6058 58 R 4.5028 9.3191 128.0087 55.5382 32.3743 176.9573 59 G 4.1182 9.1346 109.5158 44.7826 0.0000 172.9068 60 K 3.9613 9.0196 119.8216 57.1794 32.9056 175.8854 61 A 4.9934 8.4624 125.0154 50.9026 22.6287 174.2247 62 Y 4.7337 9.4209 122.1489 56.2503 40.8822 174.5070 63 I 5.0360 8.1067 126.9892 59.5040 40.9942 174.3229 64 Q 5.1250 9.0677 125.9717 54.4078 31.8130 174.9377 65 T 4.7977 8.6095 113.6234 59.7303 72.2811 174.5636 66 R 3.7823 8.5931 120.1805 59.2959 30.2453 177.2166 67 H 4.6947 8.2972 114.5043 55.7599 30.2503 176.8069 68 G 4.0951 6.0193 107.7176 46.1353 0.0000 171.7335 69 V 5.0737 8.1564 123.7025 60.0359 34.4649 175.5209 70 I 4.1194 7.5770 117.6225 61.2333 37.4619 174.6974 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 7 S 8.33 4.45 0.00 3.89 3.93 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 0.00 0.00 0.00 8 D 8.18 4.74 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 5.36 0.00 2.80 2.93 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 0.00 0.00 0.00 10 V 9.02 4.59 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 0.96 0.00 0.00 0.66 0.00 0.00 11 V 9.06 4.41 2.26 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 1.07 0.00 0.00 1.03 0.00 0.00 12 I 8.87 4.87 1.86 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 1.09 0.36 0.91 0.00 0.00 13 K 9.25 5.02 0.00 1.84 1.83 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.82 4.36 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 15 L 8.64 4.71 0.00 1.72 1.74 1.00 0.85 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 16 E 7.82 4.81 0.00 1.90 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 0.00 2.35 2.32 0.00 17 D 8.67 4.55 0.00 2.69 2.63 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 18 G 8.33 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 19 V 7.93 3.90 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 0.78 0.00 0.00 0.99 0.00 0.00 20 N 9.32 5.34 0.00 2.54 2.59 0.00 0.00 6.18 7.67 0.00 0.00 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 V 8.64 4.71 2.05 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 0.95 0.00 0.00 0.90 0.00 0.00 22 I 8.90 4.67 1.45 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.23 0.36 0.00 0.00 23 G 9.25 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 0.00 0.00 0.00 0.00 24 L 9.64 5.74 0.00 1.85 1.70 1.23 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.44 4.71 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 26 R 8.00 4.18 0.00 1.85 1.95 0.00 3.18 0.00 0.00 3.05 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 27 G 8.93 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.44 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.79 5.03 0.00 2.74 2.61 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 0.00 0.00 0.00 0.00 30 T 8.25 4.74 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 1.20 0.00 0.00 31 R 8.38 4.45 0.00 1.73 1.92 0.00 2.98 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 32 F 8.34 5.19 0.00 3.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.95 4.70 0.00 3.30 3.51 0.00 5.79 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 34 H 7.54 4.76 0.00 3.29 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.37 4.97 0.00 3.70 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.44 4.59 0.00 2.18 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 2.26 2.29 0.00 37 K 8.47 4.89 0.00 1.74 1.64 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.58 7.81 38 L 9.12 4.74 0.00 1.53 1.52 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.26 5.05 0.00 2.72 2.79 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 40 K 8.43 4.41 0.00 1.71 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.51 7.81 41 G 9.57 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 42 E 8.04 4.38 0.00 2.07 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 2.29 2.24 0.00 43 V 8.30 4.90 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 0.75 0.00 0.00 0.93 0.00 0.00 44 L 9.13 4.74 0.00 1.69 1.43 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.40 4.81 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.51 0.35 0.00 0.00 46 A 8.82 4.67 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.66 4.83 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 48 F 8.63 4.76 0.00 3.02 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 49 T 9.10 4.79 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 1.32 0.00 0.00 50 E 9.04 4.03 0.00 1.94 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 2.21 2.32 0.00 51 H 8.20 4.55 0.00 3.28 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.19 5.49 4.42 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 1.48 0.00 0.00 53 S 8.94 4.71 0.00 3.68 3.98 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 54 A 8.01 5.03 1.31 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 0.00 0.00 0.00 55 I 8.90 4.91 1.88 0.00 0.00 0.51 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 0.78 0.89 0.00 0.00 56 K 9.13 4.55 0.00 1.79 1.50 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.34 7.81 57 V 8.48 4.78 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 0.85 0.00 0.00 0.91 0.00 0.00 58 R 9.32 4.50 0.00 1.68 1.76 0.00 3.02 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 59 G 9.13 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.02 3.96 0.00 1.85 1.81 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.44 7.81 61 A 8.46 4.99 1.26 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 0.00 0.00 0.00 62 Y 9.42 4.73 0.00 3.06 2.94 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 0.00 0.00 0.00 0.00 63 I 8.11 5.04 1.76 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 1.20 0.72 0.88 0.00 0.00 64 Q 9.07 5.12 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 65 T 8.61 4.80 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 1.19 0.00 0.00 66 R 8.59 3.78 0.00 1.61 1.81 0.00 3.15 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 67 H 8.30 4.69 0.00 3.21 3.30 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.02 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 69 V 8.16 5.07 2.04 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 0.63 0.00 0.00 0.88 0.00 0.00 70 I 7.58 4.12 1.83 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 1.17 0.54 0.88 0.00 0.00