NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.4245 8.2893 118.1890 55.0446 32.7806 175.3965 54 T 4.0621 7.9630 110.4176 60.7367 71.0626 174.1174 55 L 4.0019 8.5768 121.9745 58.0341 42.0777 180.5324 56 D 4.3026 8.0285 117.4113 57.4314 41.1947 177.8185 57 E 3.9642 8.3582 119.8275 59.1734 29.2524 178.8041 58 S 4.1321 8.1763 115.3241 61.9135 62.9351 176.5464 59 C 4.2510 8.4464 119.6232 62.6570 27.9842 176.2426 60 K 3.9622 8.2100 120.1056 59.6215 31.4477 179.4010 61 I 3.7644 7.8631 118.9594 64.0653 37.1516 177.6336 62 L 4.3810 7.7856 116.3546 53.3689 42.6607 175.9635 63 N 4.1195 7.6890 116.3641 54.7075 37.6645 174.0893 64 I 4.3374 8.2236 118.0782 59.7244 39.3143 176.2088 65 E 4.4930 8.9088 125.5314 54.1369 29.8303 176.0050 66 E 3.9208 8.8698 126.1139 59.2057 29.7119 179.3558 67 S 4.2010 8.0474 110.9577 60.3464 63.1623 174.6150 68 K 4.2773 8.0715 119.8440 55.9432 31.5527 177.5036 69 G 3.9725 8.3710 107.8467 45.7464 0.0000 175.6446 70 D 4.0709 7.9229 119.0940 56.5839 41.2560 177.0629 71 L 4.3591 7.0693 122.5524 53.4580 40.4380 175.3060 72 N 5.0847 7.5021 119.6414 50.0344 42.3320 175.0954 73 M 4.0087 8.4397 120.0370 58.8399 32.4015 177.8330 74 D 4.3389 8.0974 117.8368 56.9244 41.4745 177.8949 75 K 3.9201 8.2812 120.1693 59.6293 32.2016 178.5860 76 I 3.7469 7.7261 120.0296 64.6958 37.0578 178.0576 77 N 4.4012 8.2437 116.9433 56.5792 38.3899 177.3059 78 N 4.4737 8.4391 117.8175 56.1998 38.5937 177.7136 79 R 4.0360 8.5241 120.0016 59.2183 30.1167 178.7245 80 F 4.1180 8.5310 120.4266 61.5119 39.3697 176.8168 81 N 4.1705 8.3131 115.9610 56.4150 38.3740 176.8698 82 Y 4.1212 8.0482 120.6887 60.9298 38.8347 177.8536 83 L 3.6247 7.9604 118.8049 57.2502 41.7336 179.1819 84 F 3.7464 8.1038 121.1524 61.0776 39.1944 176.8618 85 E 3.9773 7.8765 118.6956 59.3582 29.4478 178.7384 86 V 3.5050 7.6040 118.1716 65.4211 31.1478 176.6472 87 N 4.7174 7.2833 114.4870 52.6654 38.8065 174.1168 88 D 4.3830 7.5648 119.7015 53.8884 41.6757 177.6463 89 K 4.4200 8.4986 124.2417 58.9514 32.7628 177.5950 90 E 4.3906 8.5989 118.0989 57.0195 31.5233 176.9201 91 K 4.3271 8.1527 115.0480 56.4159 31.7987 177.7567 92 G 4.3029 6.0234 112.0136 45.1374 0.0000 173.3835 93 G 3.7541 7.5902 113.4720 44.1498 0.0000 173.2877 94 S 4.7254 8.5005 117.4141 55.7963 66.0902 175.7587 95 F 4.0834 8.9141 123.3958 61.4718 39.0563 176.8407 96 Y 3.7566 8.0108 118.7485 60.6914 38.6850 177.8591 97 L 3.9683 8.0585 119.8424 57.7332 41.5747 179.5804 98 Q 3.4730 7.8368 117.9001 58.8965 28.4911 178.8449 99 S 3.9906 7.6171 116.3676 61.7271 62.7314 177.1533 100 K 3.8822 7.6860 120.7795 59.2201 31.7184 179.5636 101 V 3.6586 8.0206 118.8297 66.2410 31.4577 177.4965 102 Y 4.3177 8.6144 119.4234 60.9577 38.7105 178.2232 103 R 3.9470 8.5955 119.1142 58.9755 30.1410 178.7073 104 A 4.0541 8.6294 122.1189 54.5001 18.3069 179.5944 105 A 3.8536 8.0083 119.0903 55.1968 18.4874 179.1719 106 E 3.6072 8.1095 118.3010 59.4745 29.5611 179.1657 107 R 3.9068 7.8768 118.3260 59.6015 30.1447 178.5610 108 L 4.0683 7.9193 118.7937 57.6436 41.5756 179.6856 109 K 3.9412 8.4535 119.0380 58.9849 31.9582 179.1568 110 W 4.0749 8.3057 128.6970 60.4825 30.6906 177.6651 111 E 3.8804 8.4630 119.2325 59.3031 29.1178 178.7850 112 L 3.9335 8.1916 119.0609 57.6689 41.4180 179.3720 113 A 3.8887 7.5370 119.9634 55.0205 18.5557 179.4690 114 Q 3.7716 7.5979 116.6680 58.9126 28.5198 178.9080 115 R 3.8464 7.6570 118.0797 59.3124 30.2067 178.3595 116 E 3.9872 7.9061 117.7239 59.0640 29.5665 177.3122 117 K 4.2263 7.4944 121.7237 56.5437 32.2946 176.5744 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 53 M 8.29 4.42 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 54 T 7.96 4.06 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 1.21 0.00 0.00 55 L 8.58 4.00 0.00 1.73 1.78 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.03 4.30 0.00 2.79 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 57 E 8.36 3.96 0.00 2.09 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 2.31 2.36 0.00 58 S 8.18 4.13 0.00 4.11 4.05 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 0.00 0.00 0.00 0.00 59 C 8.45 4.25 0.00 3.10 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 60 K 8.21 3.96 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.65 7.81 61 I 7.86 3.76 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.62 0.99 0.00 0.00 62 L 7.79 4.38 0.00 1.67 1.75 1.02 1.28 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 63 N 7.69 4.12 0.00 2.88 2.85 0.00 0.00 7.00 7.23 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 64 I 8.22 4.34 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.04 0.94 0.00 0.00 65 E 8.91 4.49 0.00 2.02 1.89 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 2.23 2.21 0.00 66 E 8.87 3.92 0.00 2.00 1.97 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 2.39 2.33 0.00 67 S 8.05 4.20 0.00 4.02 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 68 K 8.07 4.28 0.00 1.93 1.87 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.37 7.81 69 G 8.37 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 70 D 7.92 4.07 0.00 2.78 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 71 L 7.07 4.36 0.00 1.50 1.60 0.96 0.90 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 72 N 7.50 5.08 0.00 2.96 2.84 0.00 0.00 5.75 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 M 8.44 4.01 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 74 D 8.10 4.34 0.00 2.79 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 75 K 8.28 3.92 0.00 1.90 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 76 I 7.73 3.75 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.51 0.92 0.00 0.00 77 N 8.24 4.40 0.00 2.97 2.92 0.00 0.00 7.09 6.29 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 78 N 8.44 4.47 0.00 2.90 2.89 0.00 0.00 7.07 7.25 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 79 R 8.52 4.04 0.00 2.03 2.08 0.00 3.38 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 80 F 8.53 4.12 0.00 3.22 3.31 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 81 N 8.31 4.17 0.00 3.13 2.93 0.00 0.00 6.76 7.51 0.00 0.00 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 8.05 4.12 0.00 3.06 3.08 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 83 L 7.96 3.62 0.00 1.65 1.60 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.10 3.75 0.00 2.33 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.88 3.98 0.00 2.19 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 2.32 2.37 0.00 86 V 7.60 3.50 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 0.71 0.00 0.00 0.54 0.00 0.00 87 N 7.28 4.72 0.00 2.70 2.56 0.00 0.00 6.55 7.94 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 88 D 7.56 4.38 0.00 2.59 2.50 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 89 K 8.50 4.42 0.00 1.92 1.98 0.00 1.24 0.00 0.00 0.94 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 90 E 8.60 4.39 0.00 2.25 2.04 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 2.32 2.32 0.00 91 K 8.15 4.33 0.00 1.69 1.15 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.48 7.81 92 G 6.02 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 0.00 0.00 0.00 0.00 93 G 7.59 3.75 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 0.00 0.00 0.00 94 S 8.50 4.73 0.00 3.99 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 95 F 8.91 4.08 0.00 3.20 3.21 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 96 Y 8.01 3.76 0.00 3.16 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 97 L 8.06 3.97 0.00 1.81 1.62 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.84 3.47 0.00 1.78 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 1.55 2.37 0.00 99 S 7.62 3.99 0.00 3.53 3.63 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 0.00 100 K 7.69 3.88 0.00 1.83 1.79 0.00 1.49 0.00 0.00 1.37 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 101 V 8.02 3.66 2.27 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 1.16 0.00 0.00 0.91 0.00 0.00 102 Y 8.61 4.32 0.00 3.55 3.26 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 0.00 103 R 8.60 3.95 0.00 1.87 1.97 0.00 3.41 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 104 A 8.63 4.05 1.42 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 0.00 0.00 105 A 8.01 3.85 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 0.00 106 E 8.11 3.61 0.00 1.56 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 2.21 2.17 0.00 107 R 7.88 3.91 0.00 1.96 2.07 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 108 L 7.92 4.07 0.00 1.75 1.71 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.45 3.94 0.00 1.78 1.81 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.47 7.81 110 W 8.31 4.07 0.00 3.49 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.88 0.00 2.39 2.06 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 2.34 2.40 0.00 112 L 8.19 3.93 0.00 1.96 1.63 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.54 3.89 1.11 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 0.00 114 Q 7.60 3.77 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 1.59 2.11 0.00 115 R 7.66 3.85 0.00 1.86 1.95 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 116 E 7.91 3.99 0.00 1.91 2.06 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 2.26 2.31 0.00 117 K 7.49 4.23 0.00 1.86 1.62 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.49 7.81