NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2657 8.1127 120.8598 56.7030 32.2407 177.1157 2 M 3.7908 8.0937 116.7058 57.8571 32.0637 176.4537 3 K 4.0848 8.7958 120.6123 59.6042 32.8532 178.0923 4 Q 3.9896 8.0523 117.9021 59.0237 28.6461 178.7796 5 I 3.7341 7.7972 120.8246 64.4314 37.2760 178.3600 6 E 3.9915 8.4766 119.7124 59.4525 29.2421 179.2266 7 D 4.3510 8.3815 119.1983 57.1422 40.8112 178.5920 8 K 3.9175 8.0753 120.1941 59.5663 32.0706 178.8784 9 I 3.6792 7.9131 120.0487 64.3763 36.9974 178.0200 10 E 4.1768 8.0219 121.1411 58.6457 29.3773 178.4097 11 E 3.9102 8.3276 119.3775 59.3941 29.6309 178.9049 12 I 3.6987 8.0331 120.0386 64.4425 36.6303 178.2684 13 E 3.9428 8.5005 119.7738 59.3076 29.2814 179.3273 14 S 4.0960 8.2535 113.2022 61.4408 62.5216 176.3450 15 K 3.9715 8.2237 121.2215 59.6715 31.6951 179.3472 16 Q 4.0114 8.3889 118.5357 58.8295 28.5957 178.8089 17 K 3.9444 8.1991 120.7020 59.2890 32.1785 179.0219 18 K 3.9642 8.1512 118.8872 59.5151 31.8941 179.3475 19 I 3.7091 7.8890 119.9858 64.4153 37.0222 178.3092 20 E 3.9754 8.4373 119.6378 59.5746 29.2845 179.2601 21 N 4.3514 8.3503 116.5358 56.0784 38.4857 177.0901 22 E 3.9092 8.3628 120.8299 59.4075 29.6835 178.9175 23 I 3.6645 8.1358 119.9579 64.3512 37.1459 178.2081 24 A 3.9870 8.1517 121.5594 55.2568 18.1716 179.9689 25 R 3.8592 8.0445 116.5008 59.4251 30.1260 179.3261 26 I 3.7070 8.0068 119.8189 64.3137 37.0967 178.6266 27 K 3.9613 8.3383 119.5881 59.2271 31.8731 179.1211 28 K 3.9862 7.9708 119.8742 59.6666 32.1104 178.5914 29 L 3.9676 7.9132 120.4742 57.9266 42.0231 178.5310 30 L 3.9813 8.3777 120.8320 58.3132 42.0365 178.9374 31 Q 4.0771 8.6084 118.3832 59.0025 28.6086 178.8260 32 L 4.0827 8.0404 120.2834 58.0610 41.5608 179.7225 33 T 3.9905 8.0024 109.8158 64.6574 68.7186 176.9184 34 V 3.5735 7.9904 121.1685 65.4482 31.6052 177.5749 35 W 4.2453 8.4192 128.3290 60.6206 30.4696 178.1667 36 G 3.7287 8.5588 105.4741 47.9166 0.0000 175.5890 37 I 3.6757 8.0492 122.7746 64.0661 37.1500 178.4637 38 K 3.8162 8.0125 120.3276 59.3193 31.9877 178.6536 39 Q 3.6068 7.5996 119.8368 59.0222 28.8755 178.2994 40 L 3.9259 7.8962 120.0674 57.7645 41.5546 179.3020 41 Q 3.8990 8.2401 119.4444 59.0420 28.7631 178.0706 42 A 3.9063 7.7340 120.8993 55.0125 18.4503 179.2763 43 R 3.9409 7.6179 116.2215 59.6697 30.2647 178.5280 44 I 3.8382 7.4608 118.3414 64.2332 37.1906 176.6609 45 L 4.2890 7.9933 123.3432 54.9813 41.6596 176.7365 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 R 8.11 4.27 0.00 1.90 1.98 0.00 3.21 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 2 M 8.09 3.79 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.71 0.00 3 K 8.80 4.08 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 Q 8.05 3.99 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.80 3.73 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 0.91 0.00 0.00 6 E 8.48 3.99 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 2.33 2.35 0.00 7 D 8.38 4.35 0.00 2.86 2.71 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 8 K 8.08 3.92 0.00 2.07 1.94 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 9 I 7.91 3.68 2.03 0.00 0.00 0.86 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 0.69 0.91 0.00 0.00 10 E 8.02 4.18 0.00 2.07 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 2.30 2.17 0.00 11 E 8.33 3.91 0.00 2.16 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 2.31 2.35 0.00 12 I 8.03 3.70 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.91 0.00 0.00 13 E 8.50 3.94 0.00 2.16 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 2.33 2.42 0.00 14 S 8.25 4.10 0.00 3.88 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 15 K 8.22 3.97 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.63 7.81 16 Q 8.39 4.01 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 17 K 8.20 3.94 0.00 2.05 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 18 K 8.15 3.96 0.00 2.03 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.61 7.81 19 I 7.89 3.71 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.91 0.00 0.00 20 E 8.44 3.98 0.00 2.16 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 2.33 2.48 0.00 21 N 8.35 4.35 0.00 2.87 2.86 0.00 0.00 6.67 7.27 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 22 E 8.36 3.91 0.00 2.17 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 0.00 2.31 2.35 0.00 23 I 8.14 3.66 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.91 0.00 0.00 24 A 8.15 3.99 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 25 R 8.04 3.86 0.00 2.06 1.98 0.00 3.13 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 1.64 1.84 0.00 26 I 8.01 3.71 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.92 0.00 0.00 27 K 8.34 3.96 0.00 1.93 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 28 K 7.97 3.99 0.00 1.99 1.89 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 L 7.91 3.97 0.00 1.82 1.77 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.38 3.98 0.00 1.83 1.89 0.94 0.66 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 31 Q 8.61 4.08 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 32 L 8.04 4.08 0.00 1.94 1.74 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.00 3.99 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 1.26 0.00 0.00 34 V 7.99 3.57 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 1.02 0.00 0.00 1.00 0.00 0.00 35 W 8.42 4.25 0.00 3.48 3.38 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 36 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 37 I 8.05 3.68 2.00 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 1.41 0.70 0.89 0.00 0.00 38 K 8.01 3.82 0.00 1.80 1.65 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.32 7.81 39 Q 7.60 3.61 0.00 1.30 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 40 L 7.90 3.93 0.00 1.81 1.67 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.24 3.90 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 42 A 7.73 3.91 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 43 R 7.62 3.94 0.00 1.80 2.11 0.00 3.42 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 44 I 7.46 3.84 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.89 0.00 0.00 45 L 7.99 4.29 0.00 1.77 1.55 0.92 1.12 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