NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2380 0.0000 0.0000 59.5173 33.6844 176.3206 17 S 3.7298 8.0261 112.3445 57.6849 61.3051 170.5651 18 R 4.4098 8.4621 120.4414 54.7242 29.4033 175.5957 19 K 4.1052 7.7226 120.4954 56.7010 33.3422 177.7228 20 A 4.3312 7.1858 116.3966 51.3332 21.6273 176.0130 21 K 4.2702 8.1455 123.2621 56.0805 32.6869 178.0268 22 V 3.5086 8.3598 124.8259 65.9835 31.5290 177.2220 23 K 4.2343 7.9259 119.7386 59.2458 31.6481 177.1513 24 A 4.0386 7.7294 122.0215 55.6311 18.7884 178.9027 25 T 4.2363 7.5679 108.4892 58.8877 66.5253 172.7895 26 L 4.9211 7.2900 135.0000 55.7785 44.5934 173.4501 27 G 4.0621 8.3479 115.1408 43.1685 0.0000 172.3764 28 E 3.7649 8.6789 116.5570 56.7791 29.2172 176.6949 29 F 4.8942 7.5127 117.2691 54.6443 41.3070 173.6062 30 D 4.4565 8.7243 122.4353 53.9158 41.0330 177.0538 31 L 4.3290 8.4174 127.2595 57.1164 41.9301 178.0369 32 R 4.1175 8.0352 116.7187 56.3162 30.2563 175.6562 33 D 4.2475 7.5992 117.0913 54.3710 40.2383 174.4816 34 Y 4.6853 7.5505 124.3231 57.0700 38.0809 176.2772 35 R 4.6827 7.7068 117.8472 56.3334 32.4030 176.3376 36 N 4.6717 7.9548 118.6319 54.7236 38.3042 177.3656 37 V 3.7034 7.7425 119.8546 65.8836 32.0449 175.7901 38 E 3.8957 8.2387 115.9767 59.4407 29.2169 179.0318 39 V 3.7146 8.7283 120.4612 63.9558 31.7580 177.9643 40 L 4.0935 7.9674 119.7724 57.7588 41.2091 179.4417 41 K 3.7461 8.2420 119.2242 59.8398 31.8038 178.3910 42 R 3.7969 7.8386 117.4427 58.2867 30.1674 177.9630 43 F 4.4834 9.0769 117.5107 57.3373 39.4237 175.8906 44 L 4.7223 6.9258 118.5822 54.2542 42.5223 177.6328 45 S 4.6465 8.8311 116.7122 57.6898 65.2763 175.3434 46 E 4.4447 8.6230 119.7724 57.1156 28.7285 176.5091 47 T 4.2823 8.0918 113.6002 62.9828 73.1023 174.8991 48 G 3.9575 8.7066 112.3900 45.5475 0.0000 173.7430 49 K 4.6337 7.3779 119.0442 54.0948 34.9187 177.0028 50 I 4.1662 8.3269 125.9914 60.9969 37.5181 176.1108 51 L 4.2656 8.6211 127.7832 54.0539 42.5265 175.6305 52 P 4.4418 0.0000 0.0000 62.1963 32.2781 177.6939 53 R 3.9686 8.9169 121.7136 59.7462 30.0987 179.1501 54 R 4.4937 7.8169 112.1657 55.7513 29.2277 176.5807 55 R 4.8178 7.8306 117.5746 58.7643 37.7400 177.4709 56 T 4.1786 8.2486 108.2837 62.3169 69.2452 175.6775 57 G 3.8986 8.8610 110.4556 46.4728 0.0000 173.3144 58 L 4.7893 7.4627 118.7914 52.6754 43.9527 177.0924 59 S 4.6394 9.2391 116.4235 57.3327 65.4747 175.4441 60 G 3.7309 8.5620 108.6229 47.9796 0.0000 175.6844 61 K 3.8875 7.9059 121.4395 59.5951 32.4156 178.0351 62 E 3.8467 7.9427 118.6354 59.4313 29.4593 178.8930 63 Q 3.8496 8.6668 119.4422 59.5991 29.1487 179.6027 64 R 3.8393 7.8948 119.3000 59.4325 30.1091 178.5789 65 I 3.6510 7.6529 119.5187 64.6794 37.0429 177.4504 66 L 3.7115 8.3277 120.6273 58.3305 41.6903 178.5995 67 A 4.0547 8.0244 119.6993 55.4068 18.3332 179.3837 68 K 3.8125 7.8433 117.0685 60.0526 32.2913 179.1104 69 T 3.9495 8.2159 116.1158 66.8608 68.4660 176.7441 70 I 3.8137 8.4443 122.5592 64.3361 37.0386 178.7354 71 K 3.7706 8.1112 119.1770 59.4036 31.6936 179.2525 72 R 3.7997 7.4155 116.9384 59.3702 30.2325 178.4762 73 A 4.1339 7.8669 119.7752 55.3107 18.3751 179.4495 74 R 4.5275 7.5574 117.8053 59.1557 29.8479 179.0945 75 I 4.0065 7.4644 117.5588 64.3893 37.4287 177.3937 76 L 4.5025 8.1621 118.7807 54.2507 41.5145 177.7518 77 G 4.1254 8.0177 105.0197 46.3895 0.0000 175.2643 78 L 4.2240 7.8558 119.8143 56.3469 42.1208 177.4929 79 L 4.8122 7.5059 117.3290 51.6680 44.6787 174.3621 80 P 4.9065 0.0000 0.0000 63.1639 31.8858 175.9185 81 F 4.5094 8.4128 115.9606 58.1058 40.5153 176.2401 82 T 4.3013 7.2908 110.5063 61.4426 69.6372 171.5970 83 E 4.7808 8.7377 126.5693 54.3018 32.7294 175.7254 84 K 4.2762 8.2856 119.5351 55.7214 33.2238 176.4320 85 L 4.5144 8.1833 122.4822 53.3516 42.9040 176.0228 86 V 4.0655 7.9546 126.0825 63.0846 33.9224 173.2388 87 R 4.1499 9.9017 125.1239 54.3818 25.2003 175.4821 88 K 4.1928 9.2065 126.1665 57.4968 33.1910 172.9971 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 16 P 0.00 4.24 0.00 2.20 2.14 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 17 S 8.03 3.73 0.00 4.12 4.03 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 18 R 8.46 4.41 0.00 1.84 1.88 0.00 3.42 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 19 K 7.72 4.11 0.00 1.74 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 20 A 7.19 4.33 1.19 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 0.00 0.00 21 K 8.15 4.27 0.00 1.90 1.81 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.61 7.81 22 V 8.36 3.51 2.30 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 -0.14 0.00 0.00 0.88 0.00 0.00 23 K 7.93 4.23 0.00 2.12 1.95 0.00 2.18 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.60 7.81 24 A 7.73 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.57 4.24 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 1.19 0.00 0.00 26 L 7.29 4.92 0.00 1.71 1.92 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.35 4.06 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 0.00 0.00 0.00 28 E 8.68 3.76 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 29 F 7.51 4.89 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 30 D 8.72 4.46 0.00 2.78 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 31 L 8.42 4.33 0.00 1.64 1.72 0.86 1.12 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 32 R 8.04 4.12 0.00 1.78 2.22 0.00 3.09 0.00 0.00 3.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 33 D 7.60 4.25 0.00 2.77 2.78 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 0.00 0.00 0.00 0.00 34 Y 7.55 4.69 0.00 3.05 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 35 R 7.71 4.68 0.00 1.70 2.00 0.00 3.26 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 36 N 7.95 4.67 0.00 3.28 2.77 0.00 0.00 6.65 7.59 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 37 V 7.74 3.70 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 1.13 0.00 0.00 0.99 0.00 0.00 38 E 8.24 3.90 0.00 2.12 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 0.00 2.40 2.32 0.00 39 V 8.73 3.71 2.05 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 0.86 0.00 0.00 0.43 0.00 0.00 40 L 7.97 4.09 0.00 1.74 1.84 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.24 3.75 0.00 1.79 2.02 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.51 7.81 42 R 7.84 3.80 0.00 1.22 1.55 0.00 3.21 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 43 F 9.08 4.48 0.00 3.06 3.05 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 44 L 6.93 4.72 0.00 1.79 1.60 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.83 4.65 0.00 3.97 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 46 E 8.62 4.44 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 47 T 8.09 4.28 4.26 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 1.30 0.00 0.00 48 G 8.71 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.38 4.63 0.00 1.75 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 50 I 8.33 4.17 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.91 0.00 0.00 51 L 8.62 4.27 0.00 1.72 1.67 1.00 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 52 P 0.00 4.44 0.00 2.19 1.97 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 53 R 8.92 3.97 0.00 1.88 2.04 0.00 3.44 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 54 R 7.82 4.49 0.00 1.91 2.04 0.00 3.12 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 55 R 7.83 4.82 0.00 2.09 1.97 0.00 3.30 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 56 T 8.25 4.18 4.62 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 1.41 0.00 0.00 57 G 8.86 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 0.00 0.00 0.00 58 L 7.46 4.79 0.00 1.70 1.69 0.68 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.24 4.64 0.00 3.98 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 60 G 8.56 3.73 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 0.00 0.00 0.00 61 K 7.91 3.89 0.00 1.82 1.79 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 7.94 3.85 0.00 2.07 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 2.28 2.29 0.00 63 Q 8.67 3.85 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 64 R 7.89 3.84 0.00 2.17 2.09 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 65 I 7.65 3.65 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.90 0.00 0.00 66 L 8.33 3.71 0.00 1.42 1.63 0.41 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.02 4.05 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 68 K 7.84 3.81 0.00 1.88 1.97 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.55 7.81 69 T 8.22 3.95 4.53 0.00 0.00 0.00 0.00 0.00 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 70 I 8.44 3.81 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.85 0.00 0.00 71 K 8.11 3.77 0.00 1.92 1.79 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.54 7.81 72 R 7.42 3.80 0.00 1.93 1.75 0.00 3.29 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 73 A 7.87 4.13 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 74 R 7.56 4.53 0.00 1.45 0.66 0.00 2.66 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 75 I 7.46 4.01 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.56 0.94 0.00 0.00 76 L 8.16 4.50 0.00 1.86 1.67 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.02 4.13 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 0.00 0.00 0.00 78 L 7.86 4.22 0.00 1.85 1.77 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.51 4.81 0.00 1.58 1.45 0.97 1.04 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 80 P 0.00 4.91 0.00 2.23 2.11 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 81 F 8.41 4.51 0.00 2.94 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 82 T 7.29 4.30 4.32 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 1.27 0.00 0.00 83 E 8.74 4.78 0.00 1.97 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 2.27 2.24 0.00 84 K 8.29 4.28 0.00 1.75 1.74 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 85 L 8.18 4.51 0.00 1.56 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.95 4.07 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 0.86 0.00 0.00 0.93 0.00 0.00 87 R 9.90 4.15 0.00 1.90 2.06 0.00 3.54 0.00 0.00 3.15 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 88 K 9.21 4.19 0.00 1.78 1.75 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.42 7.81