NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3765 8.2544 121.1263 55.7395 32.7845 178.0049 5 E 4.6982 9.0149 111.3495 53.6911 32.3240 171.6798 6 C 4.2384 9.6950 127.7321 59.7862 32.7238 173.2531 7 D 4.6532 8.5104 124.3006 55.0169 40.3697 176.1259 8 Y 4.4716 7.0935 118.2099 58.4983 41.4472 176.5286 9 C 4.1164 8.8160 113.5534 61.3173 30.8925 175.9421 10 G 4.2126 8.4363 106.9398 45.0758 0.0000 173.6062 11 T 4.3720 7.8225 109.3346 60.8606 69.5877 174.1838 12 D 5.0040 8.5675 124.2081 53.3755 38.8260 174.8597 13 I 3.4879 7.4309 120.1689 60.5788 38.2024 174.9642 14 E 4.2465 8.7970 126.1055 54.3518 30.2352 173.7359 15 P 4.2418 0.0000 0.0000 64.4310 31.6387 176.3273 16 G 3.9557 10.1757 111.1971 45.2915 0.0000 172.9051 17 T 4.4181 7.9704 116.0229 62.0495 71.5098 174.0961 18 G 4.1888 7.7268 114.3871 45.5362 0.0000 170.6484 19 T 4.7169 7.8775 115.4531 62.2579 72.9637 173.0105 20 M 4.6712 8.8235 126.0644 53.6654 34.3484 174.4105 21 F 5.2388 8.8655 128.1655 56.5617 42.1475 174.3468 22 V 4.8979 7.7119 125.1671 61.3026 33.4070 173.7836 23 H 4.6507 7.8227 120.5429 53.3492 32.8132 174.3499 24 K 3.8111 9.0125 119.9585 59.9681 31.9888 177.3869 25 D 4.3806 8.1936 116.4210 57.7506 39.2301 176.7348 26 G 3.8145 7.4388 106.3672 44.5314 0.0000 173.6077 27 A 4.3592 8.2772 123.0840 51.6933 20.6082 177.2836 28 T 4.8369 8.3141 113.6254 62.7449 71.4479 173.8222 29 T 4.7367 9.0112 124.4946 61.2226 70.3704 174.4781 30 H 4.9671 8.9240 123.7180 55.4940 30.7890 174.3968 31 F 5.1372 9.1397 118.8806 56.1361 42.3441 175.8038 32 C 4.4193 9.2420 117.6398 59.1632 30.7282 173.9741 33 S 4.6529 7.3655 114.1106 56.8805 65.7993 177.2774 34 S 4.2187 8.0487 117.7716 60.0771 62.7886 176.3370 35 K 3.8112 7.8214 123.1321 60.0108 32.4039 177.8289 36 C 5.0323 7.5981 117.3917 61.3894 27.9973 175.8673 37 E 3.2169 7.5983 120.1484 59.2295 28.8150 178.5745 38 N 5.3832 7.5422 113.6325 53.9746 38.7987 176.4291 39 N 4.6526 8.0232 119.6303 55.9940 39.1199 177.1682 40 A 4.4785 7.7905 121.8796 54.9421 18.4191 179.2546 41 D 4.4807 8.0601 116.9793 56.3456 40.9537 177.3892 42 L 4.8897 7.8192 119.1846 53.9060 42.1640 178.4386 43 G 4.0719 7.9774 105.8037 46.0845 0.0000 175.2701 44 R 4.1340 7.7632 118.3498 56.3255 30.8636 175.8280 45 E 4.5987 8.2883 119.1078 54.1471 32.4004 177.2156 46 A 3.5860 7.9398 123.7068 55.2706 18.7111 179.6640 47 R 3.9746 7.7038 113.7412 59.2700 30.5328 177.7363 48 N 4.2570 8.0425 113.9287 55.9532 38.6079 175.0599 49 L 4.1190 7.3931 119.2495 53.4838 41.2414 176.3427 50 E 3.9935 8.8883 124.5668 59.3100 29.4032 179.9594 51 W 4.4690 8.1743 112.3150 58.3324 28.1657 175.6827 52 T 4.5798 7.1882 116.6213 61.8930 69.3076 175.4467 53 D 4.6918 8.5587 123.0763 57.0512 41.1022 179.6004 54 T 3.7552 7.6279 114.5828 66.7157 68.4833 176.1734 55 A 4.3396 7.4439 120.4258 51.8973 18.3951 177.6112 56 R 4.1392 7.5943 118.8424 57.3574 29.9935 174.2781 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 4 R 8.25 4.38 0.00 1.82 1.24 0.00 3.12 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 5 E 9.01 4.70 0.00 2.00 1.73 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 2.19 2.58 0.00 6 C 9.69 4.24 0.00 3.07 3.01 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 7 D 8.51 4.65 0.00 3.02 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 8 Y 7.09 4.47 0.00 2.79 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 9 C 8.82 4.12 0.00 3.23 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.44 4.21 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 0.00 11 T 7.82 4.37 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 1.30 0.00 0.00 12 D 8.57 5.00 0.00 2.71 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 13 I 7.43 3.49 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.95 0.00 0.00 14 E 8.80 4.25 0.00 2.06 1.84 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 2.37 2.37 0.00 15 P 0.00 4.24 0.00 2.23 2.07 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 16 G 10.18 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 17 T 7.97 4.42 4.37 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 1.23 0.00 0.00 18 G 7.73 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 0.00 0.00 0.00 0.00 19 T 7.88 4.72 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 20 M 8.82 4.67 0.00 1.97 1.69 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 2.28 2.46 0.00 21 F 8.87 5.24 0.00 3.48 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 4.90 1.82 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 0.90 0.00 0.00 0.83 0.00 0.00 23 H 7.82 4.65 0.00 3.33 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.01 3.81 0.00 1.71 1.87 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 25 D 8.19 4.38 0.00 2.82 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 26 G 7.44 3.81 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 0.00 0.00 0.00 27 A 8.28 4.36 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 28 T 8.31 4.84 4.26 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 1.28 0.00 0.00 29 T 9.01 4.74 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 30 H 8.92 4.97 0.00 3.27 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.14 5.14 0.00 2.98 2.97 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 32 C 9.24 4.42 0.00 3.16 3.14 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 33 S 7.37 4.65 0.00 4.02 3.99 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 0.00 0.00 0.00 34 S 8.05 4.22 0.00 3.91 4.04 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 0.00 0.00 0.00 0.00 35 K 7.82 3.81 0.00 1.73 1.88 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.37 7.81 36 C 7.60 5.03 0.00 3.14 2.98 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 37 E 7.60 3.22 0.00 1.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.12 0.00 38 N 7.54 5.38 0.00 2.60 2.78 0.00 0.00 6.98 7.29 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 39 N 8.02 4.65 0.00 3.18 3.20 0.00 0.00 6.85 7.50 0.00 0.00 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 A 7.79 4.48 1.55 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 0.00 0.00 41 D 8.06 4.48 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.89 0.00 1.92 1.70 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.98 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.76 4.13 0.00 2.17 1.99 0.00 3.43 0.00 0.00 3.47 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 45 E 8.29 4.60 0.00 2.04 1.68 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 2.25 2.24 0.00 46 A 7.94 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.70 3.97 0.00 1.71 1.91 0.00 3.13 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 48 N 8.04 4.26 0.00 2.77 2.84 0.00 0.00 6.91 7.85 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 49 L 7.39 4.12 0.00 0.78 0.51 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.89 3.99 0.00 2.11 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 0.00 2.41 2.35 0.00 51 W 8.17 4.47 0.00 3.54 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.19 4.58 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 1.13 0.00 0.00 53 D 8.56 4.69 0.00 2.83 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 54 T 7.63 3.76 4.26 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 1.10 0.00 0.00 55 A 7.44 4.34 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 56 R 7.59 4.14 0.00 2.00 1.97 0.00 2.84 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.42 0.00