NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 64 N 4.8076 8.2827 119.5001 53.3047 41.5395 172.1672 65 L 4.6793 8.2508 122.7798 54.1431 43.0992 174.6967 66 F 5.3215 9.4108 124.5752 55.6739 44.5658 173.4896 67 V 5.0298 8.9229 118.5523 59.8506 34.8761 174.8969 68 A 4.6375 8.9565 125.4638 52.2910 18.9021 178.2837 69 L 3.9546 8.8774 121.9150 56.4840 42.6268 176.4527 70 Y 4.9858 7.3713 113.4403 56.2832 42.2590 174.7164 71 D 4.9842 8.8656 120.8280 54.7597 42.0321 175.9837 72 F 5.0762 9.2996 123.6991 56.9883 43.2488 173.2152 73 V 4.4651 7.6903 118.6938 58.8753 33.5813 175.4901 74 A 4.0211 8.5591 128.0106 51.9394 18.8937 177.7651 75 S 4.4366 8.5602 116.9464 57.5142 63.3717 174.4187 76 G 3.7620 7.9462 107.9822 46.6247 0.0000 172.7935 77 D 4.3805 8.8441 114.7872 55.4965 38.2563 173.2331 78 N 4.1869 8.0721 112.4672 54.7325 37.5177 173.6862 79 T 4.9911 7.4879 105.1864 60.6207 70.3769 173.2930 80 L 4.9039 8.6497 124.0364 53.2992 44.6841 176.1864 81 S 4.8341 8.8115 122.2918 58.5686 63.8014 173.4314 82 I 5.1410 9.1593 116.8950 59.6081 41.5908 173.9046 83 T 5.2321 8.7436 112.6077 59.2527 72.1814 173.4049 84 K 4.1764 9.0215 124.9912 58.4894 32.4202 177.1412 85 G 3.9964 8.8589 115.5116 44.9173 0.0000 173.2167 86 E 4.1735 8.1335 121.7455 56.1536 30.6696 176.2489 87 K 4.8446 8.5907 125.4541 56.3935 33.4862 176.0602 88 L 4.8733 9.0255 121.6375 53.7107 47.0250 174.7561 89 R 4.9817 8.8334 120.7958 54.8230 32.1746 175.4917 90 V 4.0939 8.6336 124.7698 61.9042 31.8335 175.4544 91 L 4.2996 8.6331 128.2164 55.7685 43.1734 176.6130 92 G 3.9463 6.6332 105.3179 45.9332 0.0000 170.7816 93 Y 5.2324 8.5120 115.8921 55.8945 41.8359 175.1577 94 N 4.8991 8.9081 119.6769 51.8648 39.1147 175.6723 95 H 4.1500 9.0150 117.7863 59.5314 29.5676 175.5191 96 N 4.4791 8.2299 112.5194 52.6367 37.5322 175.8043 97 G 4.0439 8.2047 106.8018 46.1567 0.0000 174.5347 98 E 4.1549 8.8891 120.2941 57.6873 30.8040 176.6103 99 W 5.2775 8.7830 119.0726 54.8771 32.7104 174.5009 100 C 4.9293 9.4658 123.0210 57.4972 34.5900 172.2664 101 E 3.8859 8.6338 127.7606 55.1422 30.2667 175.0051 102 A 5.1142 8.6395 128.4908 50.0403 23.1792 174.3065 103 Q 4.9709 8.8142 119.5705 54.8396 32.5520 174.2941 104 T 5.1251 8.8912 115.7935 60.0357 72.3378 174.6380 105 K 4.0393 8.8138 119.5472 59.6202 32.1512 178.4411 106 N 4.5366 7.9956 115.4688 53.6603 39.2720 175.9558 107 G 3.8433 6.2349 104.3707 45.6023 0.0000 170.3669 108 Q 4.8400 8.5090 120.8231 53.7126 32.4907 176.4007 109 G 3.8493 7.6794 110.5202 46.3426 0.0000 170.9446 110 W 5.2634 8.2901 119.8092 56.2081 30.6088 176.6336 111 V 4.7572 9.0946 116.0381 58.7606 36.2417 173.3527 112 P 4.0140 0.0000 0.0000 62.1487 31.5243 178.0163 113 S 4.1703 8.7187 119.7108 61.6044 62.9378 175.6005 114 N 5.1800 8.1015 114.8710 53.3307 37.3686 174.7264 115 Y 4.8690 8.2261 115.9088 58.4241 39.1439 174.8427 116 I 5.2203 7.5002 112.0846 59.5626 41.3475 174.4651 117 T 4.9968 8.8690 116.1006 59.7803 70.9715 171.2928 118 P 3.8243 0.0000 0.0000 62.4666 32.4028 175.4049 119 V 4.0408 7.5844 121.1990 61.9480 33.5618 173.6967 120 N 4.1192 9.9322 125.7541 53.2108 35.9649 173.9391 121 S 4.1429 7.5937 116.8956 58.6968 63.8914 174.6464 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 64 N 8.28 4.81 0.00 3.05 3.12 0.00 0.00 6.70 5.78 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 65 L 8.25 4.68 0.00 1.83 1.49 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 F 9.41 5.32 0.00 2.97 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 67 V 8.92 5.03 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 0.77 0.00 0.00 1.01 0.00 0.00 68 A 8.96 4.64 1.37 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 0.00 0.00 0.00 69 L 8.88 3.95 0.00 0.39 0.58 0.73 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.37 4.99 0.00 2.61 2.67 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 0.00 0.00 0.00 0.00 71 D 8.87 4.98 0.00 2.68 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 72 F 9.30 5.08 0.00 3.27 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 73 V 7.69 4.47 1.95 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 0.71 0.00 0.00 0.78 0.00 0.00 74 A 8.56 4.02 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 75 S 8.56 4.44 0.00 3.91 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 76 G 7.95 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 77 D 8.84 4.38 0.00 2.59 2.45 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 78 N 8.07 4.19 0.00 2.95 3.00 0.00 0.00 6.80 7.22 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 79 T 7.49 4.99 4.68 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 1.17 0.00 0.00 80 L 8.65 4.90 0.00 1.66 1.64 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.81 4.83 0.00 3.82 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 82 I 9.16 5.14 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.10 1.02 0.00 0.00 83 T 8.74 5.23 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 1.26 0.00 0.00 84 K 9.02 4.18 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.46 7.81 85 G 8.86 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 86 E 8.13 4.17 0.00 2.17 1.95 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 2.34 2.32 0.00 87 K 8.59 4.84 0.00 1.70 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.48 7.81 88 L 9.03 4.87 0.00 1.61 1.63 1.10 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.83 4.98 0.00 1.73 1.83 0.00 3.10 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 90 V 8.63 4.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 -0.05 0.00 0.00 91 L 8.63 4.30 0.00 1.36 1.57 0.81 0.83 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 92 G 6.63 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 93 Y 8.51 5.23 0.00 2.99 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 94 N 8.91 4.90 0.00 2.79 2.76 0.00 0.00 6.96 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 95 H 9.02 4.15 0.00 3.10 3.43 0.00 5.92 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.23 4.48 0.00 2.85 2.92 0.00 0.00 6.03 7.00 0.00 0.00 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 G 8.20 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 0.00 0.00 0.00 98 E 8.89 4.15 0.00 1.99 1.69 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 2.25 2.35 0.00 99 W 8.78 5.28 0.00 3.17 3.19 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 0.00 100 C 9.47 4.93 0.00 2.57 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 0.00 101 E 8.63 3.89 0.00 1.16 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 1.71 1.47 0.00 102 A 8.64 5.11 1.09 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 0.00 0.00 103 Q 8.81 4.97 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.46 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 104 T 8.89 5.13 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 1.23 0.00 0.00 105 K 8.81 4.04 0.00 1.78 1.92 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.47 7.81 106 N 8.00 4.54 0.00 2.69 2.89 0.00 0.00 6.90 8.89 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 0.00 107 G 6.23 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 0.00 108 Q 8.51 4.84 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.01 0.00 0.00 0.00 0.00 0.00 2.05 2.30 0.00 109 G 7.68 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 W 8.29 5.26 0.00 3.11 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 0.00 111 V 9.09 4.76 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 0.90 0.00 0.00 0.94 0.00 0.00 112 P 0.00 4.01 0.00 1.57 1.16 0.00 2.74 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.68 0.00 113 S 8.72 4.17 0.00 3.93 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 0.00 114 N 8.10 5.18 0.00 2.89 2.95 0.00 0.00 5.95 7.55 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 0.00 115 Y 8.23 4.87 0.00 3.06 3.10 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 0.00 116 I 7.50 5.22 2.08 0.00 0.00 0.46 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 0.80 0.96 0.00 0.00 117 T 8.87 5.00 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 1.19 0.00 0.00 118 P 0.00 3.82 0.00 1.74 1.33 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 119 V 7.58 4.04 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 0.71 0.00 0.00 0.88 0.00 0.00 120 N 9.93 4.12 0.00 2.84 2.84 0.00 0.00 6.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.59 4.14 0.00 3.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00