NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 62 M 4.5615 8.2893 118.2016 54.9102 32.5434 175.3553 63 S 4.1507 8.7261 114.1795 59.1778 63.3709 173.1790 64 S 4.4716 7.8122 115.6990 57.1845 65.1319 175.0953 65 G 4.0173 8.3213 107.2633 45.7260 0.0000 172.7710 66 Y 4.6676 7.8219 120.0449 54.5399 41.9789 172.7732 67 P 4.2404 0.0000 0.0000 64.0912 31.9192 176.3945 68 G 4.0900 9.2245 111.3898 44.8139 0.0000 172.5127 69 V 5.0692 7.5803 120.2241 61.5704 33.0480 175.0357 70 S 5.3292 9.4303 122.3181 56.1610 66.8352 173.0362 71 W 4.4800 9.6943 133.2997 57.4160 31.2515 174.8780 72 N 4.4581 8.3062 127.4110 52.1190 38.9456 175.7364 73 K 3.6570 8.5664 126.4718 59.5665 32.5699 178.5671 74 R 3.9650 7.9087 117.0155 59.6715 29.9897 177.5662 75 M 3.8926 8.1279 116.0381 56.2241 32.4101 175.7198 76 C 3.1670 6.9437 117.4712 59.0425 30.4986 172.1152 77 A 4.2034 5.8000 118.2109 50.0801 22.8898 176.7807 78 W 5.0344 9.0992 121.0984 56.6140 30.7107 175.3815 79 L 5.2943 9.6803 124.5561 52.9845 44.3018 175.2426 80 A 5.2014 9.3024 126.3361 50.6689 20.6811 175.5551 81 F 5.0952 9.4181 122.6355 56.8853 40.3797 175.6924 82 F 5.1530 8.8659 118.0395 55.7860 42.2584 172.5010 83 Y 4.7950 8.9085 115.8769 56.4613 40.0373 176.4796 84 D 4.8397 9.2336 125.9769 53.2251 41.6639 178.7555 85 G 3.9769 8.5469 117.2171 46.1814 0.0000 172.7692 86 A 4.2004 9.2776 125.4016 54.3136 19.0597 179.4322 87 S 4.4222 7.9015 110.7731 57.7838 64.0934 172.9901 88 R 4.1815 8.3268 124.1091 55.5925 30.7575 175.3564 89 R 4.5440 8.4788 124.8226 54.2220 34.3753 174.4019 90 S 4.7726 7.8117 113.3490 56.8069 66.0062 173.2257 91 R 4.6053 8.9731 122.2252 54.9254 32.8899 174.2446 92 T 4.8290 8.1771 122.0671 62.4678 70.4446 174.7733 93 F 4.7613 9.6418 124.3236 55.8355 41.2400 173.8831 94 H 4.6718 8.7272 120.0997 54.3461 29.8310 173.7171 95 P 4.4954 0.0000 0.0000 63.0186 31.9668 177.1865 96 K 3.9321 9.1064 122.7343 59.8073 32.3815 178.6227 97 H 5.0147 7.9504 114.6620 54.8798 29.7640 176.0937 98 F 4.1748 8.3835 123.1321 61.6650 39.5863 175.4154 99 N 4.1992 8.3015 115.4266 56.6693 38.4168 177.1969 100 M 4.0605 7.9456 119.4445 58.5606 32.2852 178.3750 101 D 4.3743 8.2154 118.7696 56.6351 40.9204 178.7949 102 K 3.7402 7.9157 120.8998 59.1424 32.0818 178.5345 103 E 3.8514 7.9026 119.2206 59.1498 29.6598 178.7944 104 K 3.8906 8.1464 118.3621 59.5564 32.0716 179.1731 105 A 3.9832 7.9001 120.6672 54.8965 18.2697 179.5618 106 R 3.8118 8.2060 117.5584 59.7712 30.1328 178.8538 107 L 4.0215 8.1198 118.4271 57.5952 41.5255 179.4177 108 A 4.0057 8.0442 120.5981 54.9323 18.2985 179.5149 109 A 3.9833 8.2173 119.4837 55.2492 18.4806 180.0462 110 V 3.5472 7.9630 116.7565 66.0815 31.6293 177.6931 111 E 3.9378 8.3638 119.1583 59.3733 29.3984 178.5618 112 F 4.0965 8.4324 120.5378 61.4434 39.4554 176.4832 113 M 3.9052 8.3363 117.8434 58.9315 31.7861 178.4736 114 K 4.1515 7.8842 116.9394 59.4408 32.2353 179.4283 115 T 4.0163 7.5701 115.6724 66.5552 68.6222 177.2298 116 V 3.5108 7.7026 119.9537 64.3541 31.4118 175.9224 117 E 4.0412 7.7359 122.8073 56.5725 29.2930 176.5334 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 62 M 8.29 4.56 0.00 2.19 2.42 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.72 0.00 63 S 8.73 4.15 0.00 4.34 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 0.00 64 S 7.81 4.47 0.00 3.60 3.60 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 0.00 0.00 0.00 0.00 65 G 8.32 4.02 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 0.00 0.00 0.00 66 Y 7.82 4.67 0.00 2.82 2.71 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 0.00 0.00 0.00 67 P 0.00 4.24 0.00 1.68 1.81 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 68 G 9.22 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 0.00 0.00 0.00 69 V 7.58 5.07 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 1.03 0.00 0.00 1.05 0.00 0.00 70 S 9.43 5.33 0.00 4.05 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 71 W 9.69 4.48 0.00 2.78 2.92 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 0.00 0.00 0.00 72 N 8.31 4.46 0.00 2.68 2.44 0.00 0.00 6.77 6.72 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 73 K 8.57 3.66 0.00 1.73 1.83 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.56 7.81 74 R 7.91 3.96 0.00 1.70 1.87 0.00 3.20 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 75 M 8.13 3.89 0.00 1.75 1.84 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 2.62 2.35 0.00 76 C 6.94 3.17 0.00 2.78 2.23 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 77 A 5.80 4.20 0.68 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 0.00 0.00 78 W 9.10 5.03 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 79 L 9.68 5.29 0.00 1.93 1.66 0.80 0.55 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 80 A 9.30 5.20 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.42 5.10 0.00 2.94 2.97 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 82 F 8.87 5.15 0.00 3.15 3.12 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 83 Y 8.91 4.79 0.00 2.95 3.13 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 0.00 0.00 0.00 84 D 9.23 4.84 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 86 A 9.28 4.20 1.32 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 0.00 0.00 0.00 87 S 7.90 4.42 0.00 3.93 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 88 R 8.33 4.18 0.00 1.71 1.74 0.00 3.12 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.00 89 R 8.48 4.54 0.00 0.67 0.94 0.00 3.11 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.32 0.00 90 S 7.81 4.77 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 91 R 8.97 4.61 0.00 2.00 1.93 0.00 3.02 0.00 0.00 2.90 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.28 0.00 92 T 8.18 4.83 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 1.05 0.00 0.00 93 F 9.64 4.76 0.00 3.20 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 94 H 8.73 4.67 0.00 3.07 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.50 0.00 2.48 2.23 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 96 K 9.11 3.93 0.00 1.85 1.95 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.60 7.81 97 H 7.95 5.01 0.00 3.26 3.29 0.00 5.82 0.00 0.00 0.00 0.00 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.38 4.17 0.00 3.33 3.14 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 0.00 0.00 0.00 99 N 8.30 4.20 0.00 2.81 2.86 0.00 0.00 7.07 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 0.00 100 M 7.95 4.06 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.65 0.00 101 D 8.22 4.37 0.00 2.74 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 0.00 102 K 7.92 3.74 0.00 0.92 1.51 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.24 7.81 103 E 7.90 3.85 0.00 2.17 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 2.28 2.37 0.00 104 K 8.15 3.89 0.00 1.95 1.83 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 105 A 7.90 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 3.81 0.00 1.97 2.08 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 107 L 8.12 4.02 0.00 1.88 1.70 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.04 4.01 1.40 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 0.00 0.00 0.00 0.00 0.00 109 A 8.22 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 3.55 2.24 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 1.00 0.00 0.00 0.96 0.00 0.00 111 E 8.36 3.94 0.00 2.19 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 2.34 2.35 0.00 112 F 8.43 4.10 0.00 3.18 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 0.00 113 M 8.34 3.91 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.67 0.00 114 K 7.88 4.15 0.00 1.90 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.58 7.81 115 T 7.57 4.02 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 1.16 0.00 0.00 116 V 7.70 3.51 0.80 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 0.32 0.00 0.00 0.68 0.00 0.00 117 E 7.74 4.04 0.00 2.00 1.87 0.00 0.00 0.00 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 2.25 0.00