NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 V 4.0142 8.0544 120.3908 62.7346 33.4454 175.9899 29 R 3.8338 7.7979 119.0264 54.4820 30.5650 173.9393 30 T 4.4134 8.8902 116.1078 60.0621 71.2534 174.1883 31 K 4.0876 8.5100 123.6650 56.9863 32.5679 177.0425 32 K 4.4145 8.5531 123.7992 55.2821 33.7515 176.7363 33 V 3.6067 8.2563 122.7083 62.3410 31.7207 174.3157 34 P 4.2795 0.0000 0.0000 62.9855 31.6301 176.5691 35 L 4.1131 8.3542 125.4904 53.7778 40.8849 174.6792 36 D 4.7733 7.9047 123.5821 50.8092 42.6885 176.5239 37 T 3.8915 8.5866 114.8313 67.1131 68.3083 176.0251 38 N 4.5604 8.2956 116.3382 55.1818 39.0928 175.7674 39 H 5.2928 8.1332 115.8522 55.1099 30.2907 175.5191 40 K 3.9736 8.0401 122.6057 59.5813 31.9278 178.4113 41 R 3.7782 7.8700 115.7449 59.5190 28.8912 178.6678 42 F 4.4989 7.7649 118.0726 60.3084 39.0451 177.2206 43 Y 3.5163 8.4275 115.9920 61.2846 37.7116 178.5895 44 D 4.3677 8.4476 119.3670 57.2683 40.8856 178.7361 45 A 4.0226 8.3055 121.4987 55.0633 18.3393 179.4348 46 F 4.2314 8.5027 119.1284 61.5446 39.2447 177.3029 47 A 3.7884 7.9332 118.9836 54.7041 18.2242 178.7025 48 Q 4.2407 7.7048 114.3697 56.3080 29.0629 176.7910 49 G 3.8356 7.8711 108.7570 44.8826 0.0000 173.8371 50 A 4.1484 7.8689 122.3570 51.9531 19.1484 179.0762 51 G 3.9600 8.5336 107.8299 44.3211 0.0000 175.3920 52 K 4.1265 8.7380 122.4855 59.2027 32.1283 179.8275 53 L 4.1538 7.9136 118.8864 57.8228 41.3883 179.0080 54 D 4.3975 8.0567 117.2503 57.4517 41.1436 178.4261 55 L 4.2282 8.0856 119.3309 57.9921 41.4279 178.9908 56 D 4.3062 8.6694 119.1002 57.8907 40.5412 179.5267 57 R 3.9776 7.6951 116.7464 58.8596 30.4499 178.4922 58 Q 4.2823 8.1580 117.6107 58.0813 28.9189 177.8793 59 C 4.0017 7.6070 117.9737 62.7421 28.2579 175.9632 60 V 4.4253 7.5752 109.9167 62.2197 31.5492 176.7226 61 E 4.1588 7.9842 119.4932 59.2303 29.7411 177.5072 62 C 4.5053 8.1335 114.4252 61.0266 31.3216 173.3561 63 H 4.7272 8.2851 118.0639 54.9708 28.6341 174.2395 64 H 5.0682 8.0090 118.6382 55.0475 32.3746 173.1734 65 E 4.5109 8.8520 118.5498 54.7057 30.5522 176.6617 66 K 3.9586 8.5295 119.3924 56.7082 32.4822 174.9341 67 P 4.5072 0.0000 0.0000 62.7425 32.7152 177.5355 68 G 3.6974 8.8586 110.7933 45.6271 0.0000 172.8201 69 G 3.4817 8.4616 107.8589 44.6634 0.0000 172.5588 70 I 4.1822 7.7603 121.5811 58.5336 38.1500 173.6243 71 P 4.6099 0.0000 0.0000 61.4040 32.1105 176.5421 72 F 4.2691 8.1520 119.2503 56.5020 39.7512 173.9058 73 P 4.4055 0.0000 0.0000 62.4332 31.8081 176.0797 74 K 4.1803 8.2793 121.6775 58.0828 32.5704 177.0383 75 N 4.6083 8.9255 121.3805 53.3032 36.5541 174.4154 76 H 4.2108 7.7490 117.8308 55.0611 30.5185 173.1234 77 P 4.2362 0.0000 0.0000 62.9968 31.7054 176.0705 78 V 4.2445 7.7201 119.7890 59.0603 33.8352 175.5203 79 K 3.8613 8.2849 121.9822 56.0149 32.4202 174.8267 80 P 4.5155 0.0000 0.0000 61.9462 32.4324 176.3446 81 A 4.0755 8.5280 121.4908 54.5024 18.4823 177.7273 82 D 4.7240 7.9362 114.7415 53.4483 42.6743 177.4425 83 G 3.9491 8.6858 111.1571 44.1209 0.0000 170.9066 84 P 4.4991 0.0000 0.0000 61.6717 32.2478 175.8747 85 M 4.0288 8.3286 119.2519 56.1114 33.1766 177.5261 86 R 4.6364 8.1601 126.0497 53.9592 29.1815 176.3110 87 C 4.0191 8.2036 120.4363 63.0076 28.6411 176.6287 88 L 4.3921 7.7985 115.6388 55.6786 41.5470 178.3383 89 F 4.4195 8.0556 120.9223 61.1012 39.4986 175.9025 90 C 3.9552 7.9927 116.1262 61.0950 28.7978 172.7813 91 H 4.7831 8.0574 117.7836 53.7120 29.4246 174.5802 92 K 4.2494 8.1713 122.8074 55.5960 33.5214 176.7688 93 F 4.4101 8.1499 120.8881 57.4141 39.6552 175.6369 94 K 4.3724 9.0918 122.1372 56.6748 32.7580 176.4559 95 L 3.8082 8.6165 116.0316 56.3835 38.8876 174.9650 96 E 4.3856 8.3718 122.9234 56.6373 30.0828 176.0727 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 28 V 8.05 4.01 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 0.93 0.00 0.00 0.92 0.00 0.00 29 R 7.80 3.83 0.00 1.86 1.80 0.00 3.30 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 30 T 8.89 4.41 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 1.12 0.00 0.00 31 K 8.51 4.09 0.00 1.70 1.81 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.44 7.81 32 K 8.55 4.41 0.00 1.68 1.92 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 33 V 8.26 3.61 1.94 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 0.85 0.00 0.00 0.52 0.00 0.00 34 P 0.00 4.28 0.00 2.20 2.02 0.00 3.37 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 35 L 8.35 4.11 0.00 1.41 1.46 0.72 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.90 4.77 0.00 2.87 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 37 T 8.59 3.89 4.25 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 1.20 0.00 0.00 38 N 8.30 4.56 0.00 2.83 2.78 0.00 0.00 6.70 8.16 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 39 H 8.13 5.29 0.00 3.62 3.76 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.04 3.97 0.00 1.98 1.79 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.44 7.81 41 R 7.87 3.78 0.00 1.77 1.95 0.00 2.74 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 42 F 7.76 4.50 0.00 3.69 3.42 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 43 Y 8.43 3.52 0.00 3.22 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 8.45 4.37 0.00 2.84 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 45 A 8.31 4.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 4.23 0.00 2.93 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 47 A 7.93 3.79 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 48 Q 7.70 4.24 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.67 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 49 G 7.87 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 0.00 0.00 0.00 50 A 7.87 4.15 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 51 G 8.53 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 52 K 8.74 4.13 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.74 7.81 53 L 7.91 4.15 0.00 1.70 1.72 0.90 1.08 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 54 D 8.06 4.40 0.00 2.87 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 55 L 8.09 4.23 0.00 1.87 1.78 1.26 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.67 4.31 0.00 2.80 2.86 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 57 R 7.70 3.98 0.00 1.96 2.01 0.00 3.17 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 58 Q 8.16 4.28 0.00 2.32 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 59 C 7.61 4.00 0.00 2.98 2.89 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 60 V 7.58 4.43 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.02 0.00 0.00 61 E 7.98 4.16 0.00 2.07 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 0.00 2.41 2.47 0.00 62 C 8.13 4.51 0.00 2.75 2.76 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 63 H 8.29 4.73 0.00 3.16 2.81 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.01 5.07 0.00 3.16 3.58 0.00 5.25 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.85 4.51 0.00 2.06 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 0.00 2.45 2.36 0.00 66 K 8.53 3.96 0.00 1.74 1.79 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.52 7.81 67 P 0.00 4.51 0.00 2.19 2.05 0.00 3.87 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 1.96 1.96 0.00 68 G 8.86 3.70 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 0.00 0.00 0.00 69 G 8.46 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.18 1.55 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.77 0.00 0.00 71 P 0.00 4.61 0.00 2.16 2.01 0.00 3.27 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 72 F 8.15 4.27 0.00 2.98 2.89 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 73 P 0.00 4.41 0.00 2.27 2.04 0.00 3.78 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 2.22 2.14 0.00 74 K 8.28 4.18 0.00 1.74 1.73 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 75 N 8.93 4.61 0.00 2.94 3.08 0.00 0.00 6.93 8.16 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 76 H 7.75 4.21 0.00 3.36 3.22 0.00 5.78 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 77 P 0.00 4.24 0.00 1.89 1.88 0.00 2.84 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 78 V 7.72 4.24 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 0.67 0.00 0.00 0.89 0.00 0.00 79 K 8.28 3.86 0.00 1.69 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.41 7.81 80 P 0.00 4.52 0.00 2.31 2.01 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 81 A 8.53 4.08 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 82 D 7.94 4.72 0.00 2.63 2.57 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 0.00 0.00 0.00 83 G 8.69 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.50 0.00 2.18 2.05 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 85 M 8.33 4.03 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 86 R 8.16 4.64 0.00 1.90 1.85 0.00 3.31 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 1.52 0.00 87 C 8.20 4.02 0.00 2.97 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 88 L 7.80 4.39 0.00 1.49 1.38 0.80 -0.28 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 89 F 8.06 4.42 0.00 2.88 3.23 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 0.00 90 C 7.99 3.96 0.00 2.82 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 91 H 8.06 4.78 0.00 2.97 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.17 4.25 0.00 1.63 1.67 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.35 7.81 93 F 8.15 4.41 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.09 4.37 0.00 2.02 1.92 0.00 1.94 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.57 7.81 95 L 8.62 3.81 0.00 2.00 1.87 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.37 4.39 0.00 2.02 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 2.56 2.42 0.00