NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 84 V 4.1523 8.0549 120.3123 62.0573 32.7257 176.3487 85 T 4.4672 8.1694 121.5883 61.7908 70.5313 170.3511 86 L 4.7785 8.3601 124.1605 53.1560 45.1821 175.8284 87 F 5.7415 9.1564 122.1547 55.0165 42.4382 174.7007 88 V 4.8351 8.3475 121.3511 61.0260 34.7302 174.3453 89 A 4.9062 8.5440 127.8599 51.7049 18.8256 178.3727 90 L 3.8975 8.6564 122.9964 56.9825 42.1446 176.3185 91 Y 4.7502 7.2854 114.9654 56.6725 42.4024 173.6015 92 D 4.8399 8.5179 120.6456 53.1484 41.8556 175.1283 93 Y 4.4767 7.8170 116.6163 56.7348 42.8498 172.7026 94 E 4.4704 7.6659 126.0108 54.1116 31.2644 175.2899 95 A 4.2332 8.1788 127.3177 52.2939 19.2270 177.3639 96 R 4.2921 8.5742 117.5193 57.0271 29.8736 175.9595 97 T 4.6970 7.2962 106.8851 60.5256 71.8184 173.4196 98 E 4.3192 8.6986 117.8588 57.3088 30.3425 177.0298 99 D 4.7010 8.1484 120.1477 56.7675 41.7864 177.1591 100 D 5.8500 7.8707 115.4399 53.9533 41.3777 174.0346 101 L 5.3447 8.6001 118.7038 53.4402 46.3043 175.6122 102 S 5.1470 8.6126 113.2559 57.2164 66.1076 173.5932 103 F 4.9122 7.7738 115.4760 57.5058 42.2797 171.8082 104 H 5.4052 8.7207 114.1204 53.6191 33.4741 173.3529 105 K 4.8140 8.2826 118.3090 58.5055 32.3358 177.2220 106 G 3.9325 9.0128 109.7778 44.8102 0.0000 172.6530 107 E 4.1736 8.0082 121.7520 55.2530 30.6974 176.1543 108 K 4.4270 8.2021 125.9815 56.5704 33.5205 176.2758 109 F 5.0193 8.8281 119.8372 56.4678 44.2393 173.9495 110 Q 4.5091 8.8761 121.7238 54.1765 29.6748 174.5773 111 I 3.7544 8.4441 124.9986 61.6125 36.9486 175.9736 112 L 4.2336 8.6087 128.2723 56.0397 42.4846 177.2517 113 N 4.8408 7.8513 116.8174 51.7606 41.6932 174.2061 114 S 3.9199 8.0985 121.5627 57.5509 62.7637 174.0948 115 S 4.4773 7.6171 113.8500 59.5640 65.8692 176.2691 116 E 4.3731 8.1087 117.3254 55.3995 28.7974 175.5817 117 G 4.2037 8.7172 105.0967 46.3748 0.0000 173.2717 118 D 4.7947 9.0272 119.1171 55.0936 41.0373 175.1557 119 W 4.8044 8.0114 119.8278 54.7399 30.9484 175.7133 120 W 5.3606 8.3674 123.8757 55.0552 32.5848 174.5770 121 E 5.2010 9.1142 119.0326 54.3399 30.4515 175.1227 122 A 5.2085 8.2577 126.0297 49.9956 22.8991 174.5702 123 R 4.8024 8.2751 119.6929 54.2063 32.8424 175.1248 124 S 4.5390 8.7615 121.6916 58.5609 62.7559 174.9697 125 L 4.1296 8.6013 127.6203 57.2079 41.4042 178.0191 126 T 4.2092 7.2663 115.3669 65.8499 69.4120 176.2307 127 T 3.9236 7.7973 112.2253 65.6424 69.1060 175.6726 128 G 4.1034 7.8678 108.3847 44.2963 0.0000 173.5191 129 E 4.3501 7.9647 117.8497 56.4413 31.0079 176.5294 130 T 4.8479 8.3315 118.9681 63.1039 71.0637 174.0760 131 G 4.1138 7.9942 108.3566 46.4806 0.0000 170.9676 132 Y 5.3869 8.5385 117.4616 56.1711 40.5317 175.5723 133 I 4.6030 8.3564 117.3478 57.7511 41.7069 173.4170 134 P 2.9700 0.0000 0.0000 61.8628 31.5237 178.0253 135 S 2.8703 7.4386 118.7753 60.5208 62.6861 175.5620 136 N 4.5342 7.4091 115.4295 53.9719 37.4479 174.5137 137 Y 5.0060 7.7246 116.4340 58.1114 39.2953 175.3655 138 V 5.7107 7.9400 110.9503 59.3586 36.1051 174.2436 139 A 5.1780 8.5674 123.2549 49.5782 22.9956 173.7453 140 P 3.5989 0.0000 0.0000 62.1265 32.1699 176.7626 141 V 3.6293 7.4877 120.1251 63.6257 31.3326 175.7651 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 84 V 8.05 4.15 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 0.89 0.00 0.00 0.89 0.00 0.00 85 T 8.17 4.47 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 86 L 8.36 4.78 0.00 1.48 1.53 1.00 1.03 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 87 F 9.16 5.74 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 4.84 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 1.07 0.00 0.00 0.90 0.00 0.00 89 A 8.54 4.91 1.70 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 90 L 8.66 3.90 0.00 1.19 1.03 0.95 0.46 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 91 Y 7.29 4.75 0.00 1.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.52 4.84 0.00 2.51 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 93 Y 7.82 4.48 0.00 3.01 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 0.00 0.00 0.00 94 E 7.67 4.47 0.00 1.59 1.71 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 1.99 2.02 0.00 95 A 8.18 4.23 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.57 4.29 0.00 1.90 1.96 0.00 3.11 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 97 T 7.30 4.70 4.24 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 1.20 0.00 0.00 98 E 8.70 4.32 0.00 2.14 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 0.00 2.29 2.37 0.00 99 D 8.15 4.70 0.00 2.76 2.75 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 0.00 0.00 0.00 0.00 100 D 7.87 5.85 0.00 3.03 3.15 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 0.00 0.00 0.00 101 L 8.60 5.34 0.00 1.81 1.83 0.95 0.82 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 0.00 102 S 8.61 5.15 0.00 3.83 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.77 4.91 0.00 3.36 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 0.00 104 H 8.72 5.41 0.00 3.13 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.28 4.81 0.00 1.74 1.80 0.00 1.12 0.00 0.00 2.30 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 106 G 9.01 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 0.00 0.00 0.00 107 E 8.01 4.17 0.00 2.28 1.71 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 1.47 1.62 0.00 108 K 8.20 4.43 0.00 1.50 1.62 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.32 7.81 109 F 8.83 5.02 0.00 3.12 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 0.00 110 Q 8.88 4.51 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 111 I 8.44 3.75 1.59 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.09 0.77 0.00 0.00 112 L 8.61 4.23 0.00 1.61 1.69 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.85 4.84 0.00 2.90 2.62 0.00 0.00 6.61 7.71 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 0.00 114 S 8.10 3.92 0.00 2.72 2.63 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 0.00 0.00 0.00 0.00 115 S 7.62 4.48 0.00 3.88 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 0.00 116 E 8.11 4.37 0.00 2.19 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 0.00 2.46 2.67 0.00 117 G 8.72 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 9.03 4.79 0.00 2.96 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 0.00 119 W 8.01 4.80 0.00 3.14 3.29 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 0.00 120 W 8.37 5.36 0.00 3.21 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 0.00 121 E 9.11 5.20 0.00 1.61 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 2.29 2.08 0.00 122 A 8.26 5.21 1.08 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 0.00 0.00 123 R 8.28 4.80 0.00 1.90 1.82 0.00 3.30 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 124 S 8.76 4.54 0.00 4.32 3.82 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 0.00 125 L 8.60 4.13 0.00 1.57 1.67 0.89 0.94 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 0.00 126 T 7.27 4.21 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 1.21 0.00 0.00 127 T 7.80 3.92 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 1.31 0.00 0.00 128 G 7.87 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 0.00 0.00 0.00 0.00 129 E 7.96 4.35 0.00 2.17 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 0.00 2.38 2.39 0.00 130 T 8.33 4.85 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 1.20 0.00 0.00 131 G 7.99 4.11 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 0.00 0.00 0.00 132 Y 8.54 5.39 0.00 3.13 3.17 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 0.00 0.00 0.00 0.00 133 I 8.36 4.60 1.54 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.42 0.71 0.00 0.00 134 P 0.00 2.97 0.00 1.20 0.62 0.00 3.15 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.00 135 S 7.44 2.87 0.00 2.72 2.63 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 0.00 0.00 0.00 0.00 136 N 7.41 4.53 0.00 2.77 2.77 0.00 0.00 5.50 7.31 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 0.00 137 Y 7.72 5.01 0.00 2.81 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.94 5.71 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.77 0.00 0.00 139 A 8.57 5.18 1.26 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 0.00 0.00 0.00 140 P 0.00 3.60 0.00 1.92 1.72 0.00 3.91 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 141 V 7.49 3.63 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 0.61 0.00 0.00 0.83 0.00 0.00