NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 S 4.3711 8.1933 115.4072 57.9696 65.1828 174.2383 35 S 3.9641 7.6869 117.3928 57.9537 62.9803 174.5222 36 G 3.6828 7.7303 112.5276 47.9511 0.0000 176.1251 37 R 3.9814 7.6691 115.4735 58.5405 29.9081 177.4386 38 F 5.0086 8.2891 116.9454 57.3031 40.3189 176.8847 39 G 3.6778 7.6003 109.6218 47.1083 0.0000 174.1119 40 A 4.4883 8.5852 126.4167 52.2132 18.9300 177.0975 41 R 4.2022 7.2826 117.1355 57.1266 32.1647 176.4041 42 Y 3.9471 8.0698 116.3820 57.4029 36.6927 171.1249 43 G 4.0388 7.9742 103.2127 45.2913 0.0000 173.0376 44 R 3.8730 8.0222 115.9424 59.1503 29.7147 179.0496 45 V 3.5728 7.7309 116.8165 66.8145 31.6977 178.3035 46 S 4.1238 8.1938 114.0023 61.9498 62.9083 176.7245 47 R 4.4015 8.0037 117.6325 58.1601 29.6423 178.5986 48 R 3.9550 8.3129 120.7675 59.6150 30.1933 178.4171 49 R 4.0385 8.2713 117.8418 58.7870 30.0196 179.2481 50 V 3.5373 7.7348 117.9670 65.7902 31.5744 177.9257 51 A 4.5414 7.8070 121.4298 54.8153 18.1323 179.3191 52 E 3.9044 8.0903 116.6132 59.5977 29.7021 179.3005 53 I 3.6749 7.9499 119.6439 64.9229 37.1893 178.3537 54 E 4.0977 8.3550 118.9294 58.8852 29.1235 179.2669 55 S 4.0522 8.0808 113.5086 61.5087 62.3783 175.8825 56 E 4.1327 8.2481 120.8047 59.3651 29.3664 178.1711 57 M 4.6990 7.6824 118.7484 57.8572 32.4958 177.0759 58 N 4.7850 8.1807 113.7742 52.8572 39.2518 175.3077 59 E 4.1700 7.0603 120.5051 55.8401 30.2263 176.3665 60 D 4.4793 8.3901 121.0451 54.7166 41.5931 175.6416 61 H 5.0470 8.6168 120.3438 53.5931 32.1520 172.8887 62 A 4.5268 8.6978 125.2281 51.6580 18.7378 176.7440 63 C 4.1975 8.9055 124.5464 59.4400 31.5953 172.3346 64 P 4.2390 0.0000 0.0000 65.5376 30.6159 176.8816 65 N 4.1593 7.1188 115.5481 55.5081 39.8374 178.6213 66 C 4.9901 7.4568 124.8838 57.7663 29.1040 176.6368 67 G 4.1953 8.5948 103.7504 45.3408 0.0000 172.2295 68 E 4.0023 8.1069 120.4668 56.0395 30.6144 176.8792 69 D 4.8667 8.2840 123.7939 53.4496 38.6671 176.2973 70 R 4.7950 7.6842 117.1077 55.8861 32.5911 175.7407 71 V 5.0471 8.0865 119.4237 61.7233 32.8992 174.6633 72 D 5.3691 9.1170 127.2482 52.2328 44.6922 175.5711 73 R 3.2684 8.6594 121.8087 56.1575 30.6072 176.2393 74 Q 4.2561 8.3298 124.3053 56.5044 30.6346 175.4611 75 G 3.6793 6.6211 103.6007 45.5633 0.0000 171.7230 76 T 3.5189 8.3985 117.2643 65.1553 67.8260 174.6727 77 G 4.0988 8.5387 114.7856 46.0641 0.0000 170.9555 78 I 4.6809 6.9328 121.1936 59.0869 39.3412 174.9019 79 W 4.9844 8.7653 126.1329 55.0340 33.3087 174.1442 80 Q 5.7990 8.7647 121.5590 55.3813 32.8768 172.7615 81 C 5.2515 8.9915 126.1048 58.5656 32.4736 174.0738 82 S 4.0885 9.5250 122.1060 60.6384 62.5493 174.4021 83 Y 4.5858 8.3813 121.9956 59.0734 39.2531 175.1193 84 C 4.0283 7.8736 115.9945 58.0229 30.7659 174.0464 85 D 4.6402 8.3210 119.3316 55.0280 38.4560 172.9881 86 Y 4.4610 8.0273 121.6773 57.9654 39.7108 174.2857 87 K 5.0545 8.5620 128.9743 54.8645 33.8710 175.1274 88 F 4.9661 9.1611 122.0317 55.8074 41.8356 173.1374 89 T 4.8156 8.5222 109.6737 61.3434 70.3715 174.2348 90 G 4.4757 8.1811 109.2234 46.3762 0.0000 172.7544 91 G 4.0450 8.1773 106.7222 46.5229 0.0000 175.2985 92 S 4.0984 8.7055 116.3803 60.9917 62.4580 175.2873 93 Y 5.0976 7.7651 114.0230 57.2902 39.4945 175.0319 94 K 4.6285 7.9232 119.5217 53.4992 35.7709 175.4416 95 P 2.9700 0.0000 0.0000 64.2380 31.5395 176.0851 96 E 4.8388 7.5103 117.3473 54.5424 33.2618 174.6790 97 T 4.6398 8.1155 112.3812 59.1730 71.2279 173.4516 98 P 4.3179 0.0000 0.0000 66.1413 30.9365 179.2827 99 G 3.8229 8.1541 103.3878 47.2639 0.0000 175.8231 100 G 3.4438 8.2119 108.4939 47.6690 0.0000 176.1008 101 K 4.1534 7.8360 119.5786 59.4007 31.5368 179.5566 102 T 3.9792 7.5219 115.9768 66.3064 68.0285 176.5543 103 V 3.6243 7.1831 118.3197 66.0931 31.5683 177.3485 104 R 3.9947 7.4040 114.5606 59.5862 29.6324 178.1528 105 R 3.7399 7.6312 113.9864 60.2308 30.6610 176.6741 106 S 4.3026 7.9764 116.3057 58.6768 63.0630 174.0795 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 34 S 8.19 4.37 0.00 3.96 4.15 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 35 S 7.69 3.96 0.00 4.03 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 36 G 7.73 3.68 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 0.00 37 R 7.67 3.98 0.00 1.84 1.91 0.00 2.74 0.00 0.00 3.07 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.34 0.00 38 F 8.29 5.01 0.00 3.44 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 39 G 7.60 3.68 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 0.00 40 A 8.59 4.49 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 41 R 7.28 4.20 0.00 0.90 0.66 0.00 2.84 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.00 42 Y 8.07 3.95 0.00 3.05 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 43 G 7.97 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 44 R 8.02 3.87 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.28 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 45 V 7.73 3.57 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 1.15 0.00 0.00 0.94 0.00 0.00 46 S 8.19 4.12 0.00 4.07 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 47 R 8.00 4.40 0.00 2.30 2.59 0.00 2.96 0.00 0.00 3.47 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.74 0.00 48 R 8.31 3.96 0.00 2.02 2.16 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 49 R 8.27 4.04 0.00 1.99 1.95 0.00 3.18 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 50 V 7.73 3.54 2.31 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 1.14 0.00 0.00 1.06 0.00 0.00 51 A 7.81 4.54 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 52 E 8.09 3.90 0.00 2.21 2.00 0.00 0.00 0.00 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 2.52 0.00 53 I 7.95 3.67 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.99 0.56 0.00 0.00 54 E 8.35 4.10 0.00 2.06 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 2.26 2.47 0.00 55 S 8.08 4.05 0.00 4.04 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 56 E 8.25 4.13 0.00 2.03 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 2.39 2.54 0.00 57 M 7.68 4.70 0.00 2.36 2.46 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.63 0.00 58 N 8.18 4.79 0.00 2.82 2.88 0.00 0.00 7.09 7.78 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 59 E 7.06 4.17 0.00 2.03 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 0.00 2.33 2.51 0.00 60 D 8.39 4.48 0.00 2.64 2.60 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 61 H 8.62 5.05 0.00 3.24 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.70 4.53 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.91 4.20 0.00 3.15 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 64 P 0.00 4.24 0.00 1.84 1.91 0.00 3.49 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.85 0.00 65 N 7.12 4.16 0.00 2.36 2.54 0.00 0.00 6.93 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 66 C 7.46 4.99 0.00 3.28 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 68 E 8.11 4.00 0.00 1.95 1.80 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 1.89 2.21 0.00 69 D 8.28 4.87 0.00 2.56 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.80 0.00 1.83 1.98 0.00 3.03 0.00 0.00 3.48 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 71 V 8.09 5.05 2.40 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 1.10 0.00 0.00 1.26 0.00 0.00 72 D 9.12 5.37 0.00 2.66 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 73 R 8.66 3.27 0.00 0.96 1.47 0.00 2.96 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 74 Q 8.33 4.26 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 75 G 6.62 3.68 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 0.00 76 T 8.40 3.52 4.14 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 1.07 0.00 0.00 77 G 8.54 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 78 I 6.93 4.68 1.59 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.00 0.73 0.00 0.00 79 W 8.77 4.98 0.00 1.78 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 80 Q 8.76 5.80 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 81 C 8.99 5.25 0.00 3.32 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 82 S 9.53 4.09 0.00 3.95 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 83 Y 8.38 4.59 0.00 2.87 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 84 C 7.87 4.03 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.64 0.00 2.90 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 86 Y 8.03 4.46 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 5.05 0.00 1.79 1.63 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.36 7.81 88 F 9.16 4.97 0.00 3.00 2.31 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 89 T 8.52 4.82 4.27 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 0.00 0.00 0.00 1.21 0.00 0.00 90 G 8.18 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 92 S 8.71 4.10 0.00 3.22 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 93 Y 7.77 5.10 0.00 3.17 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 94 K 7.92 4.63 0.00 1.73 1.58 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.48 7.81 95 P 0.00 2.97 0.00 1.78 0.86 0.00 3.05 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.18 0.00 96 E 7.51 4.84 0.00 1.83 1.79 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 2.19 2.22 0.00 97 T 8.12 4.64 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 1.22 0.00 0.00 98 P 0.00 4.32 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 99 G 8.15 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 0.00 0.00 0.00 100 G 8.21 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.15 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.65 7.81 102 T 7.52 3.98 4.41 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 1.21 0.00 0.00 103 V 7.18 3.62 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 0.84 0.00 0.00 1.02 0.00 0.00 104 R 7.40 3.99 0.00 1.97 1.98 0.00 3.40 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 105 R 7.63 3.74 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 106 S 7.98 4.30 0.00 4.02 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