NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 G 3.9722 8.3549 109.7339 45.8020 0.0000 175.3255 20 S 3.9748 8.1800 116.2137 59.0160 63.0239 169.5141 21 V 4.2005 8.2317 120.6967 59.9938 33.4478 172.7909 22 P 4.3568 0.0000 0.0000 63.1013 33.0254 174.7214 23 V 4.4949 8.3351 120.2973 61.3293 33.5001 174.1955 24 I 4.9050 8.7095 129.2729 59.3927 39.9204 174.2150 25 L 5.0874 8.8366 129.1247 53.3665 44.4730 174.5714 26 E 5.2258 9.5745 126.9036 54.6025 32.1636 175.2838 27 V 4.2985 8.9729 125.4853 62.4389 32.0575 176.2731 28 A 4.5313 8.2107 130.8846 52.9157 21.3853 176.5227 29 G 3.8578 6.6553 106.6999 46.3451 0.0000 176.7544 30 I 4.0592 8.8199 131.9563 60.3848 37.0580 175.4301 31 G 3.9843 8.5616 113.4366 44.9036 0.0000 171.4202 32 K 4.4955 7.0107 119.5070 54.8279 34.4033 175.0244 33 Y 5.3549 8.7865 120.9268 56.2990 42.9498 173.9498 34 A 5.3849 9.2890 123.0013 50.1722 22.7125 175.2361 35 I 5.0478 8.9926 114.4044 59.1399 41.3022 174.1316 36 S 5.0346 9.5494 121.3597 56.7553 64.5117 172.6784 37 I 4.4078 9.2088 129.9746 59.2324 39.1603 176.4351 38 G 3.9937 9.1512 118.9494 46.3876 0.0000 172.7565 39 G 3.9983 8.4580 106.9542 44.6277 0.0000 173.5734 40 E 4.3461 8.1888 121.7013 55.2731 30.9036 175.1026 41 R 5.0599 8.5935 127.2270 54.7802 32.2253 174.8526 42 Q 4.7522 9.4125 125.2802 54.2034 31.5157 174.5606 43 E 4.8067 8.8746 122.6364 55.0489 33.1206 175.7439 44 G 3.8402 8.7793 107.7852 46.5124 0.0000 173.7214 45 L 4.4361 7.8029 119.3186 53.8058 42.8757 176.9600 46 T 4.8117 8.1262 112.6335 60.4958 71.8272 175.8946 47 E 3.7691 8.6602 119.5121 59.6046 29.7610 178.7588 48 E 3.8959 8.1159 120.0532 59.0745 29.8436 178.3117 49 M 4.0960 8.1930 118.6237 58.4740 32.2398 178.5867 50 V 3.6811 8.2336 119.8669 64.8843 31.4679 178.6357 51 T 3.7393 7.7975 116.3725 66.4044 68.2823 175.9888 52 Q 3.9430 7.8493 121.1209 59.4473 28.9852 178.8652 53 L 4.0087 7.8329 119.3413 58.0001 41.7334 179.6580 54 S 4.3354 8.3084 115.2289 61.7880 62.7712 177.1327 55 R 3.9997 8.5906 121.0140 59.2996 29.8246 178.8965 56 Q 4.0182 8.3415 119.4803 59.3041 29.0793 178.2005 57 E 4.0939 8.5472 119.7512 59.3817 29.3126 179.0862 58 F 4.8504 8.2828 121.2314 60.7220 39.5023 176.6558 59 D 4.3414 8.1715 117.9279 56.6063 40.7356 178.3085 60 K 4.4353 7.7751 117.9853 57.1003 32.3709 176.2239 61 D 4.5995 8.1315 118.2710 52.4928 42.4455 174.9497 62 N 4.4068 8.6401 122.8857 53.8200 38.6424 175.5377 63 N 5.1109 8.6677 114.9611 53.0386 39.6600 174.4031 64 T 3.9998 8.1971 116.1518 63.1367 68.9680 173.9565 65 L 4.2078 8.5732 129.4247 55.2464 43.2063 175.2769 66 F 5.3346 8.9527 125.0221 55.5445 41.5536 174.8757 67 L 4.9248 8.7720 122.4313 53.9807 44.0709 175.3184 68 V 4.9914 8.6007 120.8891 61.2104 33.9823 174.7459 69 G 4.3126 9.1562 114.2129 44.4516 0.0000 171.4716 70 G 4.7194 8.6451 108.3789 43.8194 0.0000 172.4317 71 A 4.4524 8.3061 123.1699 50.8447 19.5733 179.0314 72 K 3.8521 8.7204 118.4023 59.6984 32.1440 178.5295 73 E 4.1816 8.0392 115.4867 57.1470 29.8782 176.5558 74 V 4.0326 7.5562 120.2719 60.9727 32.5338 173.9511 75 P 4.6126 0.0000 0.0000 62.2882 32.5347 176.5932 76 Y 4.3715 8.6140 120.1096 60.9729 38.7944 178.0079 77 E 3.7274 8.2029 119.2057 59.4795 29.5382 179.0633 78 E 4.0393 8.0839 118.3635 59.2082 29.5054 179.4466 79 V 3.7146 7.7639 117.9942 65.9169 31.6003 177.9410 80 I 3.6392 7.7604 119.5525 64.3210 36.8793 178.2961 81 K 3.8568 7.8779 118.6175 59.4912 31.9910 179.0678 82 A 3.9299 8.0603 120.6987 55.3597 18.3699 179.7101 83 L 3.9401 7.9553 117.4163 57.8461 41.6454 179.3007 84 N 4.2800 8.4944 117.5119 56.6987 38.8468 176.9619 85 L 3.9698 8.0482 120.5640 57.6768 41.6766 179.4883 86 L 3.8249 7.7604 118.8259 57.9505 41.5379 179.0324 87 H 4.0576 8.1759 118.2257 59.0833 29.5631 176.9606 88 L 3.9247 7.8262 120.9719 57.7272 41.9148 177.8564 89 A 4.4628 7.5078 117.5991 50.8338 19.3150 176.9643 90 G 3.7863 7.7529 105.9792 47.6190 0.0000 175.4089 91 I 3.0183 7.7142 120.8130 62.0554 38.5553 176.7790 92 K 3.9008 7.3437 122.6668 57.0549 32.8207 174.7714 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 19 G 8.35 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 20 S 8.18 3.97 0.00 3.94 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 21 V 8.23 4.20 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 0.76 0.00 0.00 0.91 0.00 0.00 22 P 0.00 4.36 0.00 2.04 2.04 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 23 V 8.34 4.49 0.67 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 0.82 0.00 0.00 0.43 0.00 0.00 24 I 8.71 4.90 1.86 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 1.10 0.70 0.98 0.00 0.00 25 L 8.84 5.09 0.00 1.80 1.58 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 E 9.57 5.23 0.00 2.06 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 2.26 2.25 0.00 27 V 8.97 4.30 2.14 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 0.89 0.00 0.00 1.10 0.00 0.00 28 A 8.21 4.53 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 G 6.66 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 30 I 8.82 4.06 1.83 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 1.31 0.95 0.89 0.00 0.00 31 G 8.56 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 0.00 0.00 0.00 32 K 7.01 4.50 0.00 1.51 1.61 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 33 Y 8.79 5.35 0.00 2.94 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 34 A 9.29 5.38 1.23 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 0.00 0.00 35 I 8.99 5.05 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.97 0.00 0.00 36 S 9.55 5.03 0.00 3.86 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 37 I 9.21 4.41 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.95 0.00 0.00 38 G 9.15 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 0.00 0.00 0.00 39 G 8.46 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.35 0.00 2.06 1.96 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 2.27 2.25 0.00 41 R 8.59 5.06 0.00 1.85 1.79 0.00 3.34 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 1.54 1.64 0.00 42 Q 9.41 4.75 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 43 E 8.87 4.81 0.00 1.82 1.83 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 2.21 2.28 0.00 44 G 8.78 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 45 L 7.80 4.44 0.00 1.92 1.65 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.13 4.81 4.30 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 1.25 0.00 0.00 47 E 8.66 3.77 0.00 2.15 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 0.00 2.43 2.38 0.00 48 E 8.12 3.90 0.00 2.07 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 0.00 2.37 2.36 0.00 49 M 8.19 4.10 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 50 V 8.23 3.68 2.15 0.00 0.00 0.00 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 0.90 0.00 0.00 51 T 7.80 3.74 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 1.17 0.00 0.00 52 Q 7.85 3.94 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 53 L 7.83 4.01 0.00 1.94 1.75 1.01 0.94 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 54 S 8.31 4.34 0.00 4.06 3.80 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 R 8.59 4.00 0.00 1.95 2.01 0.00 3.33 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 56 Q 8.34 4.02 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 57 E 8.55 4.09 0.00 2.38 2.21 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 2.39 2.51 0.00 58 F 8.28 4.85 0.00 3.02 3.11 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 59 D 8.17 4.34 0.00 2.80 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 60 K 7.78 4.44 0.00 1.87 1.87 0.00 1.53 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 61 D 8.13 4.60 0.00 2.65 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 4.41 0.00 2.61 2.60 0.00 0.00 6.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.67 5.11 0.00 2.68 2.81 0.00 0.00 6.95 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 64 T 8.20 4.00 4.32 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 1.11 0.00 0.00 65 L 8.57 4.21 0.00 1.78 1.51 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.95 5.33 0.00 2.85 2.88 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 67 L 8.77 4.92 0.00 1.76 1.72 0.94 0.58 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 68 V 8.60 4.99 2.13 0.00 0.00 0.00 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 0.98 0.00 0.00 69 G 9.16 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 0.00 0.00 0.00 0.00 70 G 8.65 4.72 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 0.00 0.00 0.00 71 A 8.31 4.45 1.24 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 0.00 0.00 0.00 72 K 8.72 3.85 0.00 1.74 1.90 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 73 E 8.04 4.18 0.00 1.95 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 2.31 2.29 0.00 74 V 7.56 4.03 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 0.77 0.00 0.00 0.99 0.00 0.00 75 P 0.00 4.61 0.00 2.28 2.17 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 76 Y 8.61 4.37 0.00 3.00 2.99 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 77 E 8.20 3.73 0.00 2.01 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 0.00 2.26 2.36 0.00 78 E 8.08 4.04 0.00 2.20 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 0.00 2.45 2.37 0.00 79 V 7.76 3.71 2.49 0.00 0.00 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 1.15 0.00 0.00 80 I 7.76 3.64 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.14 0.80 0.00 0.00 81 K 7.88 3.86 0.00 1.99 1.93 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 A 8.06 3.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.94 0.00 1.85 1.72 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.49 4.28 0.00 2.92 2.86 0.00 0.00 7.15 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.05 3.97 0.00 1.66 1.59 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.76 3.82 0.00 1.77 1.51 0.61 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.18 4.06 0.00 3.20 3.43 0.00 5.79 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 88 L 7.83 3.92 0.00 1.88 1.64 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.51 4.46 1.21 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 90 G 7.75 3.79 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 0.00 0.00 0.00 91 I 7.71 3.02 1.49 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.32 -0.49 0.00 0.00 92 K 7.34 3.90 0.00 1.45 1.54 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.21 7.81