NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4000 8.0433 122.7598 54.8340 44.0258 175.1640 2 K 5.0812 8.8291 124.2678 54.4375 35.6855 173.2309 3 C 5.3791 9.9779 122.5891 55.0044 44.6670 173.3490 4 N 5.2472 8.9874 119.3841 53.4719 39.2448 174.4458 5 K 4.4261 8.8309 120.5217 54.7417 34.4412 176.9684 6 L 3.8109 8.6696 122.3457 58.5236 42.3472 177.2939 7 V 3.8382 7.8044 119.7630 61.7270 31.7887 174.5004 8 P 4.2309 0.0000 0.0000 65.9594 31.2029 177.6390 9 L 3.9858 7.6274 113.8606 55.9732 41.6358 176.5010 10 F 5.4284 8.0770 117.7667 56.2088 43.6190 173.1523 11 Y 5.4242 8.1309 118.4794 56.1303 41.4463 173.2400 12 K 4.6734 9.3997 117.7877 55.9073 36.7568 175.0546 13 T 4.9246 8.3235 117.5472 62.3261 69.5066 175.8052 14 C 4.6369 8.7216 125.0618 56.3521 40.4549 172.1712 15 P 4.5372 0.0000 0.0000 62.0516 32.0862 175.0789 16 A 3.7496 8.1077 122.0040 53.1521 18.4510 176.5585 17 G 4.1990 8.4939 119.7948 45.0428 0.0000 173.2378 18 K 3.9641 7.5718 128.7343 56.1090 31.6931 177.5268 19 N 5.0075 8.1190 127.1361 51.0460 37.6820 174.8073 20 L 4.6513 7.4419 116.0721 55.0040 47.4909 174.9222 21 C 5.6379 9.0244 118.8808 55.4042 41.4641 172.8644 22 Y 5.5669 8.6816 120.6819 55.0859 41.5644 174.1976 23 K 4.8234 9.7703 121.1607 54.9640 36.2807 174.6787 24 M 5.0657 9.1126 124.7449 53.0047 35.5918 173.7615 25 F 5.3029 7.5018 119.6353 55.3234 40.9982 173.7082 26 M 4.6943 8.7314 118.9119 55.0044 32.8318 177.9513 27 V 3.9434 8.8721 121.7460 65.2650 31.6838 177.4390 28 A 4.0660 8.4831 123.3031 54.7590 17.9260 178.3303 29 T 4.4403 7.2563 109.8083 59.0743 68.1298 173.1708 30 P 3.4324 0.0000 0.0000 65.3987 31.7590 177.8397 31 K 4.0378 7.7339 117.1200 56.3054 32.3257 176.9274 32 V 4.2097 6.8054 117.8635 60.5111 30.4334 172.9308 33 P 4.5984 0.0000 0.0000 62.6370 31.8862 177.5062 34 V 4.5025 8.6055 111.3567 60.8259 33.8065 176.0647 35 K 4.7043 7.6940 119.1643 55.3127 36.0922 175.0161 36 R 4.5638 8.5154 121.2458 53.6133 34.6880 176.0051 37 G 3.8165 6.2910 105.7144 46.5228 0.0000 170.9552 38 C 5.7257 8.1839 116.8298 55.5166 40.5607 172.5187 39 I 4.3810 7.6687 118.9138 60.5670 40.2056 174.6891 40 D 4.2935 8.7016 124.9113 55.1604 40.0077 176.6404 41 V 4.3022 7.2429 118.7093 58.2464 33.5583 175.7117 42 C 4.0227 8.8702 124.0868 56.0986 43.7976 171.5468 43 P 4.0999 0.0000 0.0000 62.0432 31.3245 176.3110 44 K 4.0619 8.1953 121.4495 56.6038 32.5091 176.8612 45 S 4.7452 8.6282 120.4442 57.9408 64.6728 173.6555 46 S 4.7832 8.1017 123.9220 58.5517 61.3947 174.7493 47 L 4.3261 8.3677 117.6377 56.7818 42.7377 177.1395 48 L 4.3190 7.6392 116.9163 55.6621 43.3200 175.7133 49 V 4.4114 7.5150 119.0937 60.8124 33.7533 174.3819 50 K 4.6718 7.9519 127.0311 54.6342 35.0247 174.8055 51 Y 4.7973 8.4251 120.6677 56.1516 40.7540 175.2231 52 V 4.6136 9.0375 124.0510 61.3225 34.5027 173.6361 53 C 5.8816 8.9594 123.9541 55.5211 42.8374 171.8172 54 C 5.1659 9.4428 115.9483 53.9016 45.4855 173.8558 55 N 4.7434 8.7529 113.8728 52.8471 37.2710 174.3128 56 T 4.5157 7.5622 114.7744 62.0230 70.6699 173.8686 57 D 4.5363 8.4378 123.2240 55.5955 41.6384 177.2825 58 R 3.7665 8.5475 123.4783 57.4306 27.5932 173.1715 59 C 4.8919 7.8008 110.6659 55.4017 44.5431 174.7478 60 N 4.5290 8.1413 121.4456 52.9631 37.1057 174.6464 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 1 L 8.04 4.40 0.00 1.81 1.63 0.93 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.83 5.08 0.00 1.77 1.70 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.55 7.81 3 C 9.98 5.38 0.00 2.86 3.04 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 4 N 8.99 5.25 0.00 2.63 2.79 0.00 0.00 6.86 7.71 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 5 K 8.83 4.43 0.00 1.86 1.80 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.59 7.81 6 L 8.67 3.81 0.00 1.62 1.76 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.80 3.84 2.34 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 0.89 0.00 0.00 1.05 0.00 0.00 8 P 0.00 4.23 0.00 2.02 2.10 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 9 L 7.63 3.99 0.00 1.02 0.75 0.79 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.08 5.43 0.00 2.98 2.73 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 11 Y 8.13 5.42 0.00 3.09 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 12 K 9.40 4.67 0.00 1.77 1.89 0.00 1.31 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 13 T 8.32 4.92 4.28 0.00 0.00 0.00 0.00 0.00 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 14 C 8.72 4.64 0.00 2.91 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 15 P 0.00 4.54 0.00 2.23 2.18 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 16 A 8.11 3.75 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 17 G 8.49 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 18 K 7.57 3.96 0.00 1.94 1.88 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.42 7.81 19 N 8.12 5.01 0.00 2.80 2.88 0.00 0.00 6.11 7.79 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 20 L 7.44 4.65 0.00 1.77 1.61 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.02 5.64 0.00 2.89 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 22 Y 8.68 5.57 0.00 3.16 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 23 K 9.77 4.82 0.00 1.86 1.81 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.41 7.81 24 M 9.11 5.07 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.08 0.00 25 F 7.50 5.30 0.00 3.27 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 26 M 8.73 4.69 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 27 V 8.87 3.94 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 0.66 0.00 0.00 0.99 0.00 0.00 28 A 8.48 4.07 1.33 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 0.00 0.00 0.00 0.00 0.00 29 T 7.26 4.44 4.24 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 1.22 0.00 0.00 30 P 0.00 3.43 0.00 1.79 2.04 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 31 K 7.73 4.04 0.00 1.60 1.76 0.00 1.43 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.39 7.81 32 V 6.81 4.21 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 0.88 0.00 0.00 0.91 0.00 0.00 33 P 0.00 4.60 0.00 2.26 2.11 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 34 V 8.61 4.50 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 0.83 0.00 0.00 1.05 0.00 0.00 35 K 7.69 4.70 0.00 1.88 1.95 0.00 1.93 0.00 0.00 2.01 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 36 R 8.52 4.56 0.00 1.72 1.85 0.00 3.68 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 37 G 6.29 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 38 C 8.18 5.73 0.00 3.05 3.09 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 39 I 7.67 4.38 1.88 0.00 0.00 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 1.31 0.96 1.02 0.00 0.00 40 D 8.70 4.29 0.00 2.80 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 41 V 7.24 4.30 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 0.67 0.00 0.00 0.88 0.00 0.00 42 C 8.87 4.02 0.00 2.94 3.04 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 43 P 0.00 4.10 0.00 0.49 0.91 0.00 3.27 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.50 0.00 44 K 8.20 4.06 0.00 1.72 1.75 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 45 S 8.63 4.75 0.00 3.89 3.79 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 0.00 0.00 0.00 46 S 8.10 4.78 0.00 3.99 3.48 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 47 L 8.37 4.33 0.00 1.60 1.68 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.64 4.32 0.00 1.63 1.67 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.52 4.41 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 0.61 0.00 0.00 0.86 0.00 0.00 50 K 7.95 4.67 0.00 0.79 1.18 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.57 7.81 51 Y 8.43 4.80 0.00 2.88 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 52 V 9.04 4.61 2.28 0.00 0.00 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 0.00 0.00 1.14 0.00 0.00 53 C 8.96 5.88 0.00 2.90 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 54 C 9.44 5.17 0.00 2.93 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.75 4.74 0.00 2.82 2.92 0.00 0.00 5.96 7.71 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 56 T 7.56 4.52 4.24 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 1.20 0.00 0.00 57 D 8.44 4.54 0.00 2.60 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 58 R 8.55 3.77 0.00 1.79 1.94 0.00 2.21 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 59 C 7.80 4.89 0.00 3.03 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 60 N 8.14 4.53 0.00 2.88 2.84 0.00 0.00 5.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00