NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.4465 8.1776 115.3112 58.2071 64.5205 175.5311 21 Y 4.1201 8.3075 118.2148 59.1526 38.3705 176.7101 22 L 3.5778 7.9569 122.0767 57.6529 42.6555 180.0912 23 L 4.1422 7.5305 116.1125 56.4357 41.6264 177.6958 24 K 4.3879 7.8299 117.1177 56.2005 32.4566 176.8846 25 I 4.0142 7.2659 120.4441 60.7771 37.4252 175.9139 26 K 4.0721 8.3060 126.0748 59.2281 32.8764 177.2839 27 E 4.2649 7.7898 118.4391 55.5802 31.6200 177.6399 28 L 3.9574 8.4589 124.6179 58.1470 42.1501 179.5109 29 K 4.0693 7.9433 118.3185 59.5553 32.7949 178.8117 30 E 3.9244 8.1206 120.0001 59.1921 29.8256 178.5032 31 A 4.0679 8.1718 120.6975 54.9125 18.3423 179.7104 32 K 4.0793 8.1265 117.3257 59.1223 32.1296 179.8237 33 K 4.0210 8.0219 121.5066 60.1832 32.1320 179.5525 34 E 4.0438 8.2355 118.5469 61.4023 29.5008 181.0914 35 F 4.2947 8.2074 121.3467 61.2073 39.5191 176.9750 36 E 3.8721 8.3055 118.9255 58.7770 29.3721 178.7737 37 K 3.9152 8.6463 120.2920 59.4822 32.2446 178.8946 38 I 3.6814 7.6893 120.0785 64.2607 36.9110 178.1516 39 F 3.8003 8.0888 121.7832 61.4347 39.1699 177.3140 40 I 3.8437 7.8594 119.6665 64.1136 36.3809 178.2844 41 E 3.9706 8.2709 118.7421 59.3140 29.3431 178.6675 42 E 3.9218 8.1706 119.0976 57.9433 29.8076 178.1614 43 K 4.0192 7.4216 119.8042 59.0894 32.3254 178.5196 44 L 3.8273 7.6664 119.3173 57.8657 41.3186 179.5561 45 R 3.4078 7.0074 116.4785 58.3236 29.9209 177.2678 46 E 4.4380 7.0633 115.2499 56.0138 29.8897 175.8026 47 Y 4.8432 6.6949 113.7512 57.9205 40.2409 174.9094 48 D 4.2793 7.9501 116.9899 60.0333 38.1628 174.1478 49 Y 3.5397 7.1578 110.3033 59.3927 36.3321 173.2744 50 D 4.9572 7.5649 122.2337 52.4530 43.4591 176.4281 51 L 4.0045 8.7039 126.9093 57.8784 41.8366 179.2409 52 K 3.8405 8.0809 117.9052 59.6141 32.0372 178.9150 53 R 3.7252 7.6323 117.2284 59.7658 30.0180 178.3770 54 T 3.5308 8.0320 115.2900 66.5976 68.5391 176.1996 55 A 4.0441 8.4673 125.2243 56.0928 18.2787 180.2615 56 E 3.9742 8.1931 116.6235 60.6488 29.5866 179.9573 57 E 4.4752 7.7596 116.1322 56.4802 30.0624 177.1569 58 I 4.5081 7.7703 112.4594 60.3286 38.3142 176.0631 59 G 3.8981 7.9850 108.5777 45.6665 0.0000 172.7147 60 I 4.6452 7.4078 112.1468 58.0451 40.8350 174.8366 61 D 4.6994 8.2269 119.9032 53.3291 42.9201 177.6129 62 L 3.9519 8.2322 121.6888 58.6109 42.1870 178.8839 63 S 4.3791 8.1433 113.6642 61.5289 62.2990 176.2301 64 N 4.3192 8.0778 119.4946 56.2284 38.5381 176.8756 65 L 3.9975 7.9722 121.7168 58.4243 42.0740 178.3991 66 Y 4.0338 8.6509 119.8900 60.5282 37.8191 177.3214 67 R 4.0550 8.0270 117.6791 57.6222 30.1656 177.6634 68 K 4.3308 7.5530 117.2591 59.0746 33.1005 178.5485 69 I 3.7241 7.8644 120.3371 63.7478 36.6699 178.1852 70 K 4.1057 7.3064 120.6087 59.8500 33.1627 179.5199 71 S 4.3418 7.3983 114.9387 61.6202 62.2607 176.9355 72 L 4.7710 7.6041 117.1149 56.4329 43.9677 176.3374 73 N 4.5622 7.9148 118.5781 53.2763 38.6791 174.5767 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 20 S 8.18 4.45 0.00 3.92 4.01 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 0.00 0.00 0.00 21 Y 8.31 4.12 0.00 3.38 3.19 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 22 L 7.96 3.58 0.00 1.51 1.59 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.53 4.14 0.00 1.62 1.70 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.83 4.39 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 25 I 7.27 4.01 1.94 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 1.23 0.71 0.98 0.00 0.00 26 K 8.31 4.07 0.00 1.72 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 27 E 7.79 4.26 0.00 2.06 1.84 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 2.40 2.36 0.00 28 L 8.46 3.96 0.00 1.73 1.65 0.88 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.94 4.07 0.00 2.02 2.05 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.49 7.81 30 E 8.12 3.92 0.00 2.11 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 2.40 2.46 0.00 31 A 8.17 4.07 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 32 K 8.13 4.08 0.00 1.85 1.89 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.66 7.81 33 K 8.02 4.02 0.00 1.95 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.60 7.81 34 E 8.24 4.04 0.00 1.98 1.98 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 2.25 2.21 0.00 35 F 8.21 4.29 0.00 3.16 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 36 E 8.31 3.87 0.00 2.35 2.10 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 2.33 2.33 0.00 37 K 8.65 3.92 0.00 1.83 2.05 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 38 I 7.69 3.68 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.96 0.88 0.00 0.00 39 F 8.09 3.80 0.00 2.26 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.84 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.71 0.94 0.00 0.00 41 E 8.27 3.97 0.00 2.22 2.33 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 2.49 2.29 0.00 42 E 8.17 3.92 0.00 2.06 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 2.22 2.22 0.00 43 K 7.42 4.02 0.00 1.89 1.76 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.63 7.81 44 L 7.67 3.83 0.00 1.51 1.19 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.01 3.41 0.00 1.70 1.76 0.00 3.25 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 46 E 7.06 4.44 0.00 1.73 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 2.06 1.55 0.00 47 Y 6.69 4.84 0.00 2.98 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 48 D 7.95 4.28 0.00 3.00 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 49 Y 7.16 3.54 0.00 3.07 3.25 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 0.00 50 D 7.56 4.96 0.00 2.84 2.53 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 0.00 51 L 8.70 4.00 0.00 1.83 1.76 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.08 3.84 0.00 1.75 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.45 7.81 53 R 7.63 3.73 0.00 1.99 1.90 0.00 3.10 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.48 0.00 54 T 8.03 3.53 4.31 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 1.23 0.00 0.00 55 A 8.47 4.04 1.46 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 0.00 0.00 56 E 8.19 3.97 0.00 2.01 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 2.24 2.22 0.00 57 E 7.76 4.48 0.00 1.31 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 2.13 2.16 0.00 58 I 7.77 4.51 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.69 1.07 0.00 0.00 59 G 7.98 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 60 I 7.41 4.65 1.89 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 1.33 0.80 0.93 0.00 0.00 61 D 8.23 4.70 0.00 2.76 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 62 L 8.23 3.95 0.00 1.71 1.64 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.14 4.38 0.00 4.11 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 0.00 64 N 8.08 4.32 0.00 2.90 2.93 0.00 0.00 6.79 6.74 0.00 0.00 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 L 7.97 4.00 0.00 1.88 1.87 0.97 0.82 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 66 Y 8.65 4.03 0.00 3.14 2.96 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 67 R 8.03 4.05 0.00 2.07 2.11 0.00 3.16 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 68 K 7.55 4.33 0.00 2.02 1.83 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.70 7.81 69 I 7.86 3.72 1.80 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.84 0.00 0.00 70 K 7.31 4.11 0.00 1.93 1.69 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.36 7.81 71 S 7.40 4.34 0.00 3.73 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 72 L 7.60 4.77 0.00 1.61 1.69 0.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.91 4.56 0.00 2.92 2.70 0.00 0.00 6.94 6.87 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