NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 H 4.5319 8.4444 117.8524 55.3676 29.4232 172.8850 58 M 4.1226 8.6245 128.9310 55.2529 32.6825 174.3921 59 R 4.7565 9.2981 114.6195 55.6847 32.1393 174.1864 60 K 5.2475 8.0796 119.6264 55.2115 34.3102 175.3320 61 I 5.0807 8.6082 117.8288 58.9246 41.6290 174.0318 62 L 4.7684 8.9129 124.6744 53.3688 45.2827 174.9112 63 I 4.8218 8.2460 126.8409 59.8026 39.3655 174.9763 64 R 4.6291 8.9086 125.1870 55.0979 33.9188 176.6222 65 G 3.7653 8.8593 109.3304 45.3549 0.0000 173.8324 66 L 4.1247 7.4453 118.8726 53.5113 42.1417 175.4276 67 P 4.4311 0.0000 0.0000 62.3132 31.9821 177.2162 68 G 3.7158 8.6789 109.7700 48.3611 0.0000 174.3783 69 D 4.8829 7.7232 118.0822 52.6371 40.1175 176.9988 70 V 3.7909 7.6946 118.7335 62.7554 32.1532 175.5310 71 T 4.6513 7.8629 111.2973 59.4964 72.9924 174.5377 72 N 4.3526 8.5225 119.5220 56.6092 38.6315 176.9785 73 Q 3.7802 8.0149 120.3312 59.6465 28.9753 178.5460 74 E 3.9503 7.8744 118.8476 59.6430 29.4951 179.8272 75 V 3.5009 8.0176 118.3033 66.3838 31.6926 177.9041 76 H 4.2175 8.2780 115.4519 58.8333 28.6312 177.4816 77 D 4.4408 8.6607 121.2433 57.1511 40.4603 177.9751 78 L 3.7900 8.0314 120.0296 57.8644 42.7593 179.5431 79 L 4.9231 7.9306 118.3575 54.6736 42.3789 178.9363 80 S 4.3903 7.7832 113.8683 60.4120 63.2873 174.6445 81 D 4.4600 8.0012 119.1959 54.4445 40.6806 174.7483 82 Y 4.6892 7.5168 116.0502 56.0890 41.8094 174.5780 83 E 4.5208 8.7791 121.6240 54.7049 30.5110 174.4741 84 L 4.3509 8.4933 127.5887 54.8496 41.7633 177.1261 85 K 4.5706 9.1139 123.0219 57.2129 34.5447 176.1306 86 Y 4.9177 7.7688 119.2706 56.3328 42.7873 174.3039 87 C 4.6810 7.3814 125.3180 58.8039 33.3979 172.4921 88 F 4.6873 9.1628 130.2388 56.2282 41.4259 173.8158 89 V 3.9776 7.7847 126.8055 61.7913 32.6579 175.0844 90 D 4.5049 8.8255 129.1094 52.3376 40.7794 176.7171 91 K 4.0101 8.5036 125.4097 59.1473 32.4193 178.1901 92 Y 4.2215 8.1694 118.2782 59.1016 38.9381 175.6826 93 K 4.1923 7.9622 116.1066 54.9944 34.1775 175.8824 94 G 3.9372 8.5440 108.2150 46.6858 0.0000 173.0588 95 T 5.1259 7.6891 107.6376 59.4610 72.3636 172.4486 96 A 5.1178 8.6540 125.7072 50.2039 22.6628 175.4699 97 F 4.9318 9.2427 119.2925 55.8899 41.3348 174.6523 98 V 4.9344 8.3502 124.0181 61.5112 34.5235 174.5366 99 T 5.1217 8.8080 120.6426 62.0619 72.1401 173.9367 100 L 5.1259 9.2350 127.6159 52.1945 43.7529 176.4800 101 L 4.2626 8.5142 121.9105 58.4673 42.6784 176.1811 102 N 4.8253 7.8563 113.3864 50.8898 39.8564 174.5140 103 G 3.6953 8.9044 103.9001 47.7400 0.0000 175.2004 104 E 3.9756 8.2511 121.6205 58.9388 29.6162 178.6975 105 Q 4.0595 8.4364 117.8703 59.0653 28.8374 178.6809 106 A 3.8783 7.8861 121.2941 54.8563 18.2007 179.4595 107 E 3.7730 7.9098 117.5470 59.5055 29.7794 178.8126 108 A 3.9564 8.2610 120.8972 54.9373 18.3951 179.4064 109 A 3.6802 7.9111 119.4794 55.2834 18.4315 179.6028 110 I 3.6667 7.5635 118.2015 64.9231 37.0328 178.4195 111 N 4.3272 8.1775 115.5196 56.3299 38.4405 177.1492 112 A 3.9481 8.0987 121.5158 53.9862 18.4961 178.0645 113 F 5.0705 7.7996 112.0261 56.5295 40.5192 174.9609 114 H 4.4332 8.5912 122.5610 57.0459 29.8496 175.0659 115 Q 3.9415 9.4259 126.3866 55.9852 26.5514 173.6293 116 S 4.5785 7.6440 113.5804 57.4816 64.6406 172.6698 117 R 4.8202 8.2799 119.0879 54.2253 31.9156 175.8443 118 L 4.4412 8.8108 124.6235 53.7812 42.9358 176.4055 119 R 3.9022 9.3963 127.7448 57.5345 27.4444 177.3183 120 E 3.9539 8.5385 112.9185 56.3409 27.3128 174.5535 121 R 4.6524 7.7393 118.8465 54.0494 32.9143 174.8322 122 E 4.5364 8.8024 125.3486 56.1592 30.3394 175.8080 123 L 4.8426 9.2227 127.6250 53.6071 44.4302 176.0954 124 S 4.7523 8.7846 116.6686 56.7808 65.0615 172.4741 125 V 4.9057 8.4122 125.5166 61.4348 32.8496 174.6725 126 Q 4.6390 8.5846 123.5627 54.6882 32.2848 173.5122 127 L 4.3817 8.5443 120.2388 55.1926 42.3545 176.8694 128 Q 4.0499 8.7700 125.3360 55.7730 29.5783 174.1090 129 P 4.1557 0.0000 0.0000 63.8957 31.1619 176.1966 130 T 4.1949 8.4484 118.7298 63.4752 68.6719 174.5629 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 57 H 8.44 4.53 0.00 3.13 3.03 0.00 5.87 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 58 M 8.62 4.12 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.68 0.00 59 R 9.30 4.76 0.00 2.07 2.21 0.00 3.35 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 60 K 8.08 5.25 0.00 1.77 2.05 0.00 1.63 0.00 0.00 1.92 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.45 7.81 61 I 8.61 5.08 1.85 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 1.12 0.89 0.00 0.00 62 L 8.91 4.77 0.00 1.47 1.42 0.26 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.25 4.82 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.47 0.81 0.00 0.00 64 R 8.91 4.63 0.00 1.69 1.73 0.00 3.09 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 65 G 8.86 3.77 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 0.00 0.00 0.00 66 L 7.45 4.12 0.00 1.61 1.55 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.43 0.00 2.00 1.95 0.00 3.63 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 1.98 2.05 0.00 68 G 8.68 3.72 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 69 D 7.72 4.88 0.00 2.77 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 70 V 7.69 3.79 2.18 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 0.73 0.00 0.00 0.87 0.00 0.00 71 T 7.86 4.65 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 1.22 0.00 0.00 72 N 8.52 4.35 0.00 2.64 2.84 0.00 0.00 6.44 7.74 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 73 Q 8.01 3.78 0.00 2.08 2.07 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 2.40 2.71 0.00 74 E 7.87 3.95 0.00 2.05 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 2.30 2.34 0.00 75 V 8.02 3.50 2.19 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 0.95 0.00 0.00 0.92 0.00 0.00 76 H 8.28 4.22 0.00 3.34 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.66 4.44 0.00 2.84 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 78 L 8.03 3.79 0.00 1.52 1.68 0.54 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.93 4.92 0.00 1.84 1.90 0.89 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.78 4.39 0.00 4.02 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.00 4.46 0.00 2.45 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 0.00 0.00 0.00 82 Y 7.52 4.69 0.00 3.04 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 83 E 8.78 4.52 0.00 2.10 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 2.34 2.35 0.00 84 L 8.49 4.35 0.00 1.56 1.57 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 K 9.11 4.57 0.00 1.69 1.90 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.55 7.81 86 Y 7.77 4.92 0.00 3.04 2.82 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 0.00 0.00 0.00 0.00 87 C 7.38 4.68 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.16 4.69 0.00 2.90 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 89 V 7.78 3.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.82 0.00 0.00 90 D 8.83 4.50 0.00 2.94 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 91 K 8.50 4.01 0.00 1.80 1.85 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 92 Y 8.17 4.22 0.00 2.95 3.04 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 93 K 7.96 4.19 0.00 1.89 1.81 0.00 1.97 0.00 0.00 1.60 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.63 1.65 7.81 94 G 8.54 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 0.00 0.00 0.00 95 T 7.69 5.13 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 1.22 0.00 0.00 96 A 8.65 5.12 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 97 F 9.24 4.93 0.00 3.34 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 98 V 8.35 4.93 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 1.06 0.00 0.00 0.89 0.00 0.00 99 T 8.81 5.12 4.59 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 0.00 0.00 0.00 1.29 0.00 0.00 100 L 9.24 5.13 0.00 1.44 1.65 0.72 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.51 4.26 0.00 1.84 1.97 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.86 4.83 0.00 2.96 2.92 0.00 0.00 6.09 6.99 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 0.00 103 G 8.90 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 0.00 104 E 8.25 3.98 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 105 Q 8.44 4.06 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 106 A 7.89 3.88 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 0.00 107 E 7.91 3.77 0.00 2.15 2.16 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 0.00 2.30 2.36 0.00 108 A 8.26 3.96 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.91 3.68 1.03 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 0.00 0.00 110 I 7.56 3.67 1.98 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 1.51 0.78 0.92 0.00 0.00 111 N 8.18 4.33 0.00 2.86 2.84 0.00 0.00 7.11 7.83 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 0.00 112 A 8.10 3.95 0.70 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 0.00 113 F 7.80 5.07 0.00 3.21 2.95 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 0.00 114 H 8.59 4.43 0.00 3.25 3.29 0.00 5.99 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.43 3.94 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.25 1.82 0.00 116 S 7.64 4.58 0.00 4.10 4.09 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 0.00 117 R 8.28 4.82 0.00 1.80 1.87 0.00 3.30 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 118 L 8.81 4.44 0.00 1.58 1.48 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.40 3.90 0.00 1.95 1.95 0.00 3.29 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 120 E 8.54 3.95 0.00 2.13 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 0.00 2.17 2.25 0.00 121 R 7.74 4.65 0.00 1.79 1.77 0.00 3.26 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.64 0.00 122 E 8.80 4.54 0.00 1.96 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 2.26 2.32 0.00 123 L 9.22 4.84 0.00 1.59 1.54 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.78 4.75 0.00 3.93 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 0.00 125 V 8.41 4.91 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 0.86 0.00 0.00 1.04 0.00 0.00 126 Q 8.58 4.64 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 127 L 8.54 4.38 0.00 1.54 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.77 4.05 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 129 P 0.00 4.16 0.00 2.25 2.14 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 130 T 8.45 4.19 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 1.23 0.00 0.00