NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1738 8.3349 116.7970 62.9303 64.3509 175.3971 3 R 3.3286 6.8175 121.3663 57.3605 27.1610 171.7776 4 V 4.5654 7.2879 110.3741 59.3085 35.8244 175.6605 5 C 3.7881 8.4351 125.6466 61.1007 31.6314 174.5355 6 Q 4.1488 8.2976 123.3917 56.5245 28.3825 174.3300 7 V 4.0221 7.5947 114.5923 62.8853 32.1799 176.3382 8 T 4.4977 7.4017 106.7568 59.9676 70.0284 173.5130 9 G 3.7779 8.0954 109.3909 46.7759 0.0000 174.7542 10 K 4.1673 7.9463 120.4729 55.3266 31.3118 177.2559 11 R 4.6446 8.0940 123.3579 53.7586 31.8856 174.3782 12 P 5.2588 0.0000 0.0000 62.2883 31.8359 176.4477 13 V 4.2991 8.4821 117.9409 60.3976 33.8570 175.2686 14 T 4.6728 8.3184 117.4423 61.8858 69.2159 173.9560 15 G 4.4175 7.9665 110.0479 46.2576 0.0000 171.4061 16 N 5.5977 8.8315 116.1440 51.4618 41.1173 175.1497 17 N 4.2730 9.4318 120.2892 54.0287 39.1788 175.6634 18 R 4.3796 8.1106 116.4130 55.9132 28.0473 174.2816 19 S 4.3038 7.4581 113.4030 58.0029 64.2520 173.2439 20 H 3.8416 8.6029 119.8475 57.1708 29.7289 174.9276 21 A 3.6996 8.5329 121.4296 51.8085 15.9822 177.4110 22 L 3.6887 7.4524 113.7608 56.0435 40.0546 174.5585 23 N 4.6053 7.8167 115.8623 53.2913 39.6811 174.1996 24 A 4.8124 8.5207 125.3081 51.2191 20.5855 176.9736 25 T 4.4176 8.3281 118.9354 61.7130 71.9881 173.5510 26 K 4.4537 8.6895 126.2029 57.0301 32.6357 177.1707 27 R 4.3289 8.1221 121.5587 55.3023 35.3770 175.0308 28 R 4.8322 7.8457 114.9729 55.8985 31.4339 173.8466 29 F 4.7329 9.5122 121.6659 55.9706 41.0357 174.7525 30 L 4.8010 8.4444 124.1043 52.1887 43.0639 174.8681 31 P 4.3975 0.0000 0.0000 62.5875 31.4443 175.6316 32 N 4.3276 8.3417 117.3282 54.5542 39.3219 173.2517 33 L 3.6708 7.6809 119.3910 56.0002 41.0259 174.4580 34 H 4.5334 9.4966 114.5552 55.2784 34.7766 173.1383 35 S 4.2155 8.0463 113.1443 57.9797 61.3445 170.6017 36 H 4.5911 8.0512 124.8045 54.6116 32.3436 174.1407 37 R 3.9648 7.5872 123.1237 55.4157 29.4997 175.3015 38 F 4.9353 8.7099 123.0456 56.2496 40.9538 175.6042 39 W 5.4249 9.3813 133.7656 55.8003 29.4062 175.5812 40 V 3.4117 8.2862 118.5839 62.2369 30.8398 175.1940 41 E 2.5400 5.9000 120.7013 56.2461 29.2182 175.8509 42 S 3.9498 7.6427 114.1605 61.4074 63.3659 175.4484 43 E 3.9188 7.8688 119.9465 55.6473 29.6806 177.6530 44 K 3.5613 7.6180 116.7754 57.4297 33.5036 176.3109 45 R 4.6559 7.3662 120.5098 55.7418 28.9678 176.6511 46 F 6.3000 9.3210 125.3290 58.8958 41.6537 172.6815 47 V 3.6137 7.2409 111.4175 60.3859 31.8273 175.0368 48 T 5.1710 8.5068 118.5238 58.9822 67.7501 172.9438 49 L 4.4186 8.3116 127.2235 54.5458 43.1084 176.5749 50 R 4.4865 8.5232 121.1239 56.0097 28.7162 175.4571 51 V 4.5718 8.1384 124.3752 61.4489 34.2225 174.0225 52 S 5.2497 8.4376 119.0580 55.9498 65.7830 173.3656 53 A 4.1867 8.6833 124.7663 53.5250 19.1503 177.4469 54 K 4.2729 9.1270 125.7185 57.9296 31.6499 178.4818 55 G 3.7616 7.6943 104.0681 47.4204 0.0000 175.2769 56 M 4.0502 8.0613 120.7155 58.1853 32.4740 178.3543 57 R 3.9472 8.0998 118.2943 59.1573 29.8865 179.2860 58 V 3.6288 7.3354 117.7521 66.1565 31.4899 177.9823 59 I 3.5362 7.6321 118.9909 64.4936 36.7343 177.3086 60 D 4.6722 8.0977 116.6176 55.2381 40.7783 176.7064 61 K 4.4045 7.3804 118.5884 56.9711 34.5588 177.0473 62 K 4.0903 9.5790 118.1735 59.5921 32.7445 175.6783 63 G 3.6589 7.6872 105.4606 44.7803 0.0000 174.4916 64 I 3.1600 8.6525 127.1456 64.8269 36.9953 178.0281 65 D 4.1986 7.8292 118.7831 57.7503 40.5846 178.8030 66 T 3.9491 7.6715 115.6412 66.8226 68.3862 176.1291 67 V 4.0658 8.5163 123.3243 64.9986 31.2272 177.8331 68 L 3.7285 8.6083 119.3166 57.1987 41.2651 179.4744 69 A 3.9215 8.0253 120.7094 55.2304 18.9442 178.9738 70 E 4.5499 9.0889 123.9759 53.4525 29.6487 180.7007 71 L 3.5659 9.3459 125.7540 56.4951 42.1007 175.7362 72 R 3.8406 6.1724 121.7697 59.9057 29.5823 178.7003 73 A 4.0861 8.4775 121.9534 55.2473 18.5627 179.6111 74 R 4.0999 7.8185 112.9712 57.5854 29.7269 177.3492 75 G 4.1105 7.3144 107.0421 45.4042 0.0000 173.3186 76 E 4.3692 8.5419 120.9586 54.9934 31.2869 180.3874 77 K 4.4498 7.9580 122.8445 55.1011 32.0328 176.3680 78 Y 3.9659 8.8377 118.9150 57.9143 39.5510 168.4786 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 2 S 8.33 4.17 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 3 R 6.82 3.33 0.00 1.97 2.32 0.00 3.15 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 4 V 7.29 4.57 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 0.74 0.00 0.00 0.97 0.00 0.00 5 C 8.44 3.79 0.00 2.96 3.18 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 6 Q 8.30 4.15 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.62 0.00 7 V 7.59 4.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 8 T 7.40 4.50 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 1.21 0.00 0.00 9 G 8.10 3.78 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 0.00 0.00 0.00 10 K 7.95 4.17 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.46 7.81 11 R 8.09 4.64 0.00 1.80 1.88 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 12 P 0.00 5.26 0.00 2.11 2.10 0.00 3.38 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 13 V 8.48 4.30 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 0.78 0.00 0.00 0.85 0.00 0.00 14 T 8.32 4.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 15 G 7.97 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 0.00 0.00 0.00 0.00 16 N 8.83 5.60 0.00 2.62 2.72 0.00 0.00 6.82 8.00 0.00 0.00 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 N 9.43 4.27 0.00 2.63 2.86 0.00 0.00 7.06 7.96 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 18 R 8.11 4.38 0.00 1.87 1.92 0.00 3.14 0.00 0.00 3.95 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 19 S 7.46 4.30 0.00 4.06 4.02 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 20 H 8.60 3.84 0.00 3.24 3.27 0.00 5.98 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.53 3.70 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 22 L 7.45 3.69 0.00 1.80 1.75 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.82 4.61 0.00 2.61 2.74 0.00 0.00 6.89 6.98 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 24 A 8.52 4.81 1.22 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 25 T 8.33 4.42 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 1.20 0.00 0.00 26 K 8.69 4.45 0.00 1.64 1.79 0.00 2.02 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.43 7.81 27 R 8.12 4.33 0.00 1.58 1.60 0.00 2.77 0.00 0.00 2.80 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.77 0.00 28 R 7.85 4.83 0.00 2.00 1.96 0.00 3.00 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.00 29 F 9.51 4.73 0.00 2.89 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 30 L 8.44 4.80 0.00 1.64 1.60 0.92 1.12 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 31 P 0.00 4.40 0.00 2.05 2.05 0.00 3.70 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 2.23 2.11 0.00 32 N 8.34 4.33 0.00 2.70 2.87 0.00 0.00 7.09 7.78 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 33 L 7.68 3.67 0.00 1.70 1.59 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.50 4.53 0.00 3.07 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.05 4.22 0.00 4.10 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 36 H 8.05 4.59 0.00 3.02 2.43 0.00 5.86 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 37 R 7.59 3.96 0.00 1.31 1.39 0.00 2.21 0.00 0.00 2.81 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.00 38 F 8.71 4.94 0.00 3.34 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 39 W 9.38 5.42 0.00 3.46 3.20 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 0.00 40 V 8.29 3.41 1.92 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 0.84 0.00 0.00 0.71 0.00 0.00 41 E 5.90 2.54 0.00 1.63 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.26 0.00 42 S 7.64 3.95 0.00 3.93 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 43 E 7.87 3.92 0.00 1.98 1.87 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 2.36 2.28 0.00 44 K 7.62 3.56 0.00 1.80 1.87 0.00 1.87 0.00 0.00 1.59 0.00 0.00 3.10 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.54 7.81 45 R 7.37 4.66 0.00 1.86 0.99 0.00 3.47 0.00 0.00 3.17 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 46 F 9.32 6.30 0.00 3.30 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.24 3.61 2.40 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 1.07 0.00 0.00 1.15 0.00 0.00 48 T 8.51 5.17 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 1.19 0.00 0.00 49 L 8.31 4.42 0.00 1.91 2.01 1.22 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.52 4.49 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 V 8.14 4.57 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 1.08 0.00 0.00 1.33 0.00 0.00 52 S 8.44 5.25 0.00 3.97 3.94 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 53 A 8.68 4.19 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 54 K 9.13 4.27 0.00 1.96 1.93 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.37 7.81 55 G 7.69 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 0.00 0.00 0.00 56 M 8.06 4.05 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.97 0.00 57 R 8.10 3.95 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 58 V 7.34 3.63 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 0.99 0.00 0.00 1.00 0.00 0.00 59 I 7.63 3.54 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.18 0.39 0.00 0.00 60 D 8.10 4.67 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 61 K 7.38 4.40 0.00 1.84 1.86 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.35 7.81 62 K 9.58 4.09 0.00 1.67 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.34 7.81 63 G 7.69 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.65 3.16 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.30 0.68 0.00 0.00 65 D 7.83 4.20 0.00 2.61 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 66 T 7.67 3.95 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 1.17 0.00 0.00 67 V 8.52 4.07 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 1.23 0.00 0.00 0.81 0.00 0.00 68 L 8.61 3.73 0.00 1.41 0.96 0.77 0.20 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 69 A 8.03 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.09 4.55 0.00 2.02 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 2.29 2.47 0.00 71 L 9.35 3.57 0.00 1.82 1.55 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.17 3.84 0.00 2.01 2.56 0.00 2.85 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.73 0.00 73 A 8.48 4.09 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 74 R 7.82 4.10 0.00 1.98 2.09 0.00 3.20 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 75 G 7.31 4.11 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 0.00 0.00 0.00 76 E 8.54 4.37 0.00 1.92 1.93 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 2.38 2.37 0.00 77 K 7.96 4.45 0.00 1.95 1.18 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.61 7.81 78 Y 8.84 3.97 0.00 3.11 3.03 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