NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 E 4.4584 8.4444 120.2228 56.4534 30.7473 175.1643 29 L 4.2457 8.4513 123.5154 54.0444 44.1922 175.2793 30 S 4.0791 9.6963 111.9969 59.8470 63.9098 174.8036 31 N 3.1400 7.0872 114.1796 54.4903 37.8179 175.1534 32 T 5.0423 7.9901 106.3397 61.6822 71.0946 173.1420 33 R 5.1204 8.6178 120.6982 55.0699 34.1873 174.2793 34 L 4.9277 8.9953 124.5753 53.4725 43.7957 175.6040 35 F 5.0607 9.1028 128.7652 56.8029 39.7623 173.6309 36 V 4.7229 9.0995 125.9783 60.1236 32.7659 174.8928 37 R 4.9705 8.1778 120.3849 53.6031 30.2970 175.3391 38 P 4.1029 0.0000 0.0000 65.8774 31.5755 176.9842 39 F 4.5923 6.8739 115.8614 56.3444 39.9869 174.3083 40 P 4.6389 0.0000 0.0000 62.0629 32.9311 176.9577 41 L 4.0818 8.6015 118.7631 58.1613 41.7390 178.1365 42 D 4.4701 8.0955 118.1269 56.8445 41.0079 177.5311 43 V 3.3931 7.4051 118.1134 61.5128 32.0513 175.5843 44 Q 4.4979 7.9712 120.8298 53.1673 34.3048 175.7099 45 E 3.9141 8.6935 118.5970 59.6874 29.1340 179.2960 46 S 4.0802 7.9386 115.0285 61.1952 63.2243 175.9923 47 E 4.0290 7.9142 121.5601 58.7929 29.5117 178.7638 48 L 4.1210 7.8308 119.1013 57.7722 41.7136 179.1764 49 N 4.3856 8.2616 116.8595 56.3550 38.2192 177.2115 50 E 3.9811 7.9956 119.0420 59.4604 29.6369 179.0705 51 I 3.9570 7.6542 118.4541 63.5071 37.6996 177.5151 52 F 2.7622 8.7752 117.9986 57.9892 39.3280 178.1139 53 G 3.8242 7.8046 105.3980 47.7502 0.0000 173.8049 54 P 4.4131 0.0000 0.0000 65.1239 31.3505 178.3540 55 F 4.6333 7.6684 116.7036 60.9436 38.9762 175.3901 56 G 4.0953 8.0314 106.4441 45.1843 0.0000 173.1143 57 P 4.5518 0.0000 0.0000 62.0048 33.1938 176.3542 58 M 5.2540 7.9951 117.2732 55.6460 31.4953 174.9568 59 K 4.2479 8.3936 123.3454 59.6110 33.7937 176.8985 60 E 4.6762 8.5237 119.3234 54.1593 33.4821 175.5139 61 V 4.8423 7.5925 122.0248 61.8852 31.3468 174.1119 62 K 4.2053 8.8112 122.8503 56.5653 33.4844 177.5035 63 I 4.9520 8.4369 126.2851 59.6509 39.3898 175.0807 64 L 5.0196 9.2814 126.2239 52.7869 45.9485 177.2387 65 N 4.8550 8.8739 117.6615 53.8966 36.8941 175.7952 66 G 3.9540 8.3163 104.4285 45.9484 0.0000 173.1891 67 F 5.2153 8.7666 118.1161 55.4187 43.3612 173.7125 68 A 5.1907 9.1599 123.6895 50.4022 22.3882 175.2414 69 F 5.1844 9.3861 120.7800 55.5019 40.2424 174.9840 70 V 4.1939 8.6860 123.6028 62.7196 33.3284 173.7547 71 E 4.9418 8.3540 123.0917 55.1514 33.2798 173.6441 72 F 5.6542 8.5749 122.5250 55.7182 42.9854 174.9148 73 E 4.4117 9.1440 117.1152 56.6892 30.0091 175.3560 74 E 4.6636 7.8046 116.0445 54.5915 32.7952 175.0855 75 A 4.5845 8.4272 118.6715 52.6371 19.2959 178.7895 76 E 3.9845 8.0634 117.9975 59.0239 29.8729 178.6698 77 S 3.7057 8.6683 113.3920 60.8485 62.1129 176.1779 78 A 4.3138 8.0275 122.8730 55.1989 18.3670 179.0114 79 A 3.9429 8.1338 119.6062 55.3884 18.3584 180.0664 80 K 3.7960 8.0727 116.9353 59.7901 32.7172 179.0562 81 A 2.5800 7.7970 122.3503 54.6071 18.1577 179.2834 82 I 3.5551 7.9039 118.3700 64.9913 37.0380 178.6051 83 E 3.9450 7.9422 118.0465 59.0531 29.2972 179.0062 84 E 4.2687 8.1571 118.9680 58.7012 29.5264 178.2093 85 V 4.3942 7.7463 113.1062 61.7492 35.0394 173.2862 86 H 4.1677 8.2633 122.2952 58.1759 29.5483 175.3071 87 G 3.9268 8.2277 114.9006 45.0725 0.0000 173.3648 88 K 4.0810 7.4980 119.2619 56.0168 32.6009 176.8848 89 S 4.5802 8.3604 118.0170 57.2303 62.4030 172.9100 90 F 4.0263 8.6056 128.9344 58.1308 40.3111 175.6525 91 A 3.6932 7.7810 133.4489 53.1174 17.1331 178.1861 92 N 4.9016 7.6270 105.8337 53.1567 41.6737 173.5606 93 Q 4.6483 7.9365 116.7678 54.6205 32.2816 171.8771 94 P 5.5298 0.0000 0.0000 61.9748 32.2678 175.9384 95 L 4.1883 8.2120 120.4717 53.7876 43.6291 175.9057 96 E 4.3646 8.1943 118.9575 55.3725 29.2705 176.6491 97 V 4.2520 7.8258 119.6240 63.3672 32.2281 175.5998 98 V 3.9373 8.3309 135.0000 61.5535 38.1693 175.6187 99 Y 5.1664 8.2682 110.9106 55.5749 35.9504 174.8277 100 S 4.2410 8.8708 115.8125 58.9400 63.4256 175.3124 101 K 4.1615 8.8395 123.1548 56.9613 31.3887 176.2565 102 L 4.6481 7.6132 119.8414 52.3619 43.5462 174.9586 103 P 4.4520 0.0000 0.0000 63.4151 32.1573 175.9369 104 A 4.1660 7.4724 126.9806 52.4647 19.2474 175.5797 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 28 E 8.44 4.46 0.00 1.95 1.90 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 2.19 2.22 0.00 29 L 8.45 4.25 0.00 1.60 1.32 1.08 0.79 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 30 S 9.70 4.08 0.00 3.92 3.92 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 31 N 7.09 3.14 0.00 2.84 2.55 0.00 0.00 6.62 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 32 T 7.99 5.04 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 1.29 0.00 0.00 33 R 8.62 5.12 0.00 1.96 1.91 0.00 3.10 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 34 L 9.00 4.93 0.00 1.88 1.90 1.18 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.10 5.06 0.00 3.05 3.20 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 36 V 9.10 4.72 2.32 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 1.39 0.00 0.00 1.16 0.00 0.00 37 R 8.18 4.97 0.00 1.93 2.14 0.00 2.73 0.00 0.00 2.52 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.30 0.00 38 P 0.00 4.10 0.00 2.03 2.05 0.00 2.53 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.22 0.00 39 F 6.87 4.59 0.00 2.92 3.02 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 40 P 0.00 4.64 0.00 2.32 2.01 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 41 L 8.60 4.08 0.00 1.64 1.76 0.97 1.00 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 42 D 8.10 4.47 0.00 2.68 2.74 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 0.00 0.00 0.00 0.00 43 V 7.41 3.39 0.67 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 0.57 0.00 0.00 0.09 0.00 0.00 44 Q 7.97 4.50 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 45 E 8.69 3.91 0.00 2.07 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 2.31 2.28 0.00 46 S 7.94 4.08 0.00 4.04 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 47 E 7.91 4.03 0.00 2.03 1.76 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 2.24 2.40 0.00 48 L 7.83 4.12 0.00 1.61 1.17 0.73 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.26 4.39 0.00 2.91 2.85 0.00 0.00 7.25 7.74 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 50 E 8.00 3.98 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 2.35 2.52 0.00 51 I 7.65 3.96 2.03 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.57 0.60 0.00 0.00 52 F 8.78 2.76 0.00 2.98 3.02 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 53 G 7.80 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 54 P 0.00 4.41 0.00 2.06 2.16 0.00 3.36 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 55 F 7.67 4.63 0.00 3.00 2.87 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 0.00 0.00 0.00 56 G 8.03 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 57 P 0.00 4.55 0.00 1.90 2.09 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 58 M 8.00 5.25 0.00 2.39 2.08 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 59 K 8.39 4.25 0.00 1.98 2.18 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.56 7.81 60 E 8.52 4.68 0.00 2.01 1.65 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 2.16 2.21 0.00 61 V 7.59 4.84 1.99 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 0.67 0.00 0.00 0.81 0.00 0.00 62 K 8.81 4.21 0.00 1.93 1.74 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.65 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.56 7.81 63 I 8.44 4.95 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.91 0.00 0.00 64 L 9.28 5.02 0.00 2.10 1.80 1.14 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.87 4.85 0.00 3.05 3.00 0.00 0.00 7.16 7.73 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 66 G 8.32 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.77 5.22 0.00 3.09 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 68 A 9.16 5.19 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.39 5.18 0.00 2.86 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 70 V 8.69 4.19 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 0.19 0.00 0.00 0.25 0.00 0.00 71 E 8.35 4.94 0.00 1.98 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 72 F 8.57 5.65 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 73 E 9.14 4.41 0.00 2.12 2.11 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 2.33 2.34 0.00 74 E 7.80 4.66 0.00 2.04 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 2.18 2.40 0.00 75 A 8.43 4.58 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 3.98 0.00 2.08 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 2.38 2.29 0.00 77 S 8.67 3.71 0.00 3.42 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 78 A 8.03 4.31 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 0.00 0.00 0.00 0.00 0.00 79 A 8.13 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.80 0.00 1.85 1.96 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.04 7.81 81 A 7.80 2.58 1.25 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 0.00 0.00 82 I 7.90 3.56 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 0.74 0.00 0.00 83 E 7.94 3.94 0.00 1.87 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 2.42 2.44 0.00 84 E 8.16 4.27 0.00 1.95 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 2.38 2.42 0.00 85 V 7.75 4.39 2.11 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 0.71 0.00 0.00 0.97 0.00 0.00 86 H 8.26 4.17 0.00 3.18 3.33 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.23 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.50 4.08 0.00 2.13 1.77 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.43 7.81 89 S 8.36 4.58 0.00 3.92 3.87 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 0.00 0.00 0.00 90 F 8.61 4.03 0.00 3.09 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 91 A 7.78 3.69 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.63 4.90 0.00 2.75 2.84 0.00 0.00 5.77 7.62 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 93 Q 7.94 4.65 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.88 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 94 P 0.00 5.53 0.00 2.00 2.14 0.00 3.29 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 95 L 8.21 4.19 0.00 1.63 1.54 0.69 0.80 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 96 E 8.19 4.36 0.00 1.71 1.60 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 2.21 2.13 0.00 97 V 7.83 4.25 2.12 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 1.03 0.00 0.00 0.95 0.00 0.00 98 V 8.33 3.94 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 0.75 0.00 0.00 0.76 0.00 0.00 99 Y 8.27 5.17 0.00 2.91 2.90 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 0.00 100 S 8.87 4.24 0.00 4.13 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.16 0.00 1.87 1.88 0.00 2.03 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.65 7.81 102 L 7.61 4.65 0.00 1.40 1.33 0.64 0.30 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 0.00 103 P 0.00 4.45 0.00 2.13 2.13 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 104 A 7.47 4.17 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