NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6854 8.4093 117.7899 52.2109 38.4232 173.4552 2 K 4.4006 8.2161 123.4673 52.9193 35.0875 174.2035 3 R 3.9050 9.1937 118.5404 56.5724 31.3879 178.1016 4 T 3.9715 8.2500 117.8776 63.1763 69.0676 174.5020 5 R 3.9578 8.4246 126.5617 56.6300 30.6470 176.1795 6 T 3.9292 8.2965 121.7854 62.9483 69.2764 174.3195 7 A 4.4309 7.9128 127.9306 50.3303 19.4749 176.1065 8 Y 4.5491 8.0822 119.3585 58.9647 38.9363 176.7140 9 T 4.5205 8.9982 113.7175 60.5022 71.9573 176.0503 10 R 3.8721 8.6184 121.5372 59.7466 29.9722 178.9724 11 A 3.9627 7.9448 119.5282 55.3933 18.4646 179.5423 12 Q 3.8493 8.1086 116.4503 59.0708 28.7722 179.0998 13 L 3.6211 8.0375 120.1231 57.5132 41.5546 179.5640 14 L 3.9332 7.8809 118.9545 57.8286 41.5627 179.3826 15 E 3.8835 7.8085 118.3631 59.2610 29.3088 179.5215 16 L 3.5497 7.3788 118.8617 57.5932 41.4253 179.3500 17 E 4.0953 8.2325 118.8330 59.2732 28.9341 179.2096 18 K 3.6949 8.5953 120.0064 59.6784 32.2273 178.4553 19 E 4.2375 8.4110 119.3823 59.1290 29.3214 178.5045 20 F 4.6045 8.4304 122.1603 60.3033 39.4611 176.5117 21 L 3.8358 7.7221 119.4906 58.2884 41.8946 178.8482 22 F 4.7024 6.9799 115.3477 58.9467 38.9572 175.7386 23 N 4.8872 8.1921 116.2665 51.4688 41.5755 175.4749 24 K 3.3593 8.4953 122.9551 57.9639 32.5005 176.8865 25 Y 4.7453 7.7292 115.9576 55.9903 41.5860 174.3263 26 I 4.5365 7.8758 117.1771 58.4456 40.5789 176.0464 27 S 4.3527 8.1716 116.5298 58.0332 65.2228 175.0706 28 R 3.8651 8.5366 122.8242 59.4675 29.8717 177.1157 29 P 4.2797 0.0000 0.0000 65.4128 31.3515 178.6086 30 R 3.8873 7.8049 117.3179 59.1779 30.0042 178.2598 31 R 3.8218 8.5498 118.9991 59.6511 30.0034 178.6913 32 V 3.6281 7.7002 117.3635 65.8812 31.5844 177.5856 33 E 3.9653 8.1141 118.8723 59.2615 29.4128 178.9068 34 L 4.0009 8.1929 118.9600 57.5693 41.6310 179.1051 35 A 4.0394 7.7826 120.3611 55.1933 18.4192 179.9594 36 V 3.4936 7.9050 116.6504 66.2608 31.4343 177.8737 37 M 4.0283 7.8684 116.7169 58.5341 32.2261 177.4322 38 L 4.2049 8.3104 115.8503 53.7680 43.0110 175.7953 39 N 4.1584 7.8869 116.1119 54.7754 37.5182 171.8104 40 L 4.8499 8.5304 117.7588 53.8719 46.1234 176.2417 41 T 4.7054 8.5358 116.7684 62.8158 71.0192 175.7834 42 E 4.0490 8.9712 123.9966 61.6522 29.4066 179.5823 43 R 4.1253 8.0036 118.4370 59.6465 30.2461 177.9688 44 H 4.2870 8.2077 116.0650 59.2155 28.8096 177.8296 45 I 3.9360 7.8803 120.7761 64.4276 36.9910 178.2234 46 K 4.0842 8.5171 120.8084 59.6248 31.9590 178.9483 47 I 3.8410 8.3046 120.4207 63.9870 37.0977 177.9228 48 W 4.0604 8.8801 129.6746 60.7935 30.3927 178.0711 49 F 3.8812 8.7324 117.4632 60.4177 38.3993 177.7823 50 Q 4.0322 8.0476 118.0305 59.0252 28.4576 178.5434 51 N 4.2284 8.1387 117.5477 56.0638 38.5308 177.4142 52 R 3.0662 7.4380 120.4363 59.2771 29.7864 178.8368 53 R 4.2964 7.9914 117.9044 59.5904 29.9447 179.0228 54 M 4.1051 7.9142 118.2331 58.1445 31.7026 178.6838 55 K 3.8838 7.8741 119.2731 58.8783 32.1286 178.6119 56 W 4.5211 8.4590 131.3956 61.1438 30.7701 178.8277 57 K 3.3513 8.6329 123.1964 58.1194 31.2452 182.3035 58 K 4.3471 8.1580 119.0113 55.1506 31.9728 178.6208 59 E 4.5586 9.4070 122.9563 55.6774 37.4300 179.4908 60 E 4.2163 5.9000 116.2039 56.8669 30.2833 176.7741 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 N 8.41 4.69 0.00 2.76 2.73 0.00 0.00 6.60 6.56 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 2 K 8.22 4.40 0.00 1.92 1.85 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.52 7.81 3 R 9.19 3.91 0.00 1.81 1.95 0.00 3.21 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 1.64 1.70 0.00 4 T 8.25 3.97 4.23 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 1.19 0.00 0.00 5 R 8.42 3.96 0.00 1.76 1.82 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 6 T 8.30 3.93 3.75 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 0.00 0.00 0.76 0.00 0.00 7 A 7.91 4.43 1.17 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 0.00 0.00 8 Y 8.08 4.55 0.00 3.06 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 9.00 4.52 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 1.28 0.00 0.00 10 R 8.62 3.87 0.00 1.83 2.05 0.00 3.30 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 11 A 7.94 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 3.85 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 13 L 8.04 3.62 0.00 1.78 1.66 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.88 3.93 0.00 1.79 1.67 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.81 3.88 0.00 1.93 1.92 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 2.46 2.44 0.00 16 L 7.38 3.55 0.00 0.57 0.13 -0.63 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.23 4.10 0.00 2.05 2.01 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 2.52 2.48 0.00 18 K 8.60 3.69 0.00 1.92 1.99 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.67 1.45 7.81 19 E 8.41 4.24 0.00 2.36 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 2.51 2.67 0.00 20 F 8.43 4.60 0.00 3.11 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 21 L 7.72 3.84 0.00 1.38 1.31 0.76 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 22 F 6.98 4.70 0.00 3.12 3.01 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 23 N 8.19 4.89 0.00 2.76 2.91 0.00 0.00 7.04 7.21 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 24 K 8.50 3.36 0.00 1.54 1.13 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 0.65 7.81 25 Y 7.73 4.75 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 4.54 1.71 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.36 0.73 0.00 0.00 27 S 8.17 4.35 0.00 4.06 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 28 R 8.54 3.87 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 29 P 0.00 4.28 0.00 2.19 2.07 0.00 3.59 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 2.10 2.13 0.00 30 R 7.80 3.89 0.00 1.90 2.03 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 31 R 8.55 3.82 0.00 1.89 2.10 0.00 3.16 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 32 V 7.70 3.63 2.21 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 0.95 0.00 0.00 1.02 0.00 0.00 33 E 8.11 3.97 0.00 2.30 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 0.00 2.30 2.35 0.00 34 L 8.19 4.00 0.00 1.93 1.70 1.00 0.69 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 35 A 7.78 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.49 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 37 M 7.87 4.03 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 38 L 8.31 4.20 0.00 1.68 1.66 0.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.89 4.16 0.00 2.86 2.84 0.00 0.00 6.88 7.06 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 40 L 8.53 4.85 0.00 1.61 1.59 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.54 4.71 4.40 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 0.00 0.00 0.00 1.28 0.00 0.00 42 E 8.97 4.05 0.00 1.97 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 0.00 2.32 1.96 0.00 43 R 8.00 4.13 0.00 1.89 1.94 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 44 H 8.21 4.29 0.00 3.52 3.63 0.00 5.67 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 45 I 7.88 3.94 2.11 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 1.57 0.89 1.07 0.00 0.00 46 K 8.52 4.08 0.00 1.88 2.00 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.57 7.81 47 I 8.30 3.84 2.15 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 1.78 0.82 0.98 0.00 0.00 48 W 8.88 4.06 0.00 3.42 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.73 3.88 0.00 3.34 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 50 Q 8.05 4.03 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 51 N 8.14 4.23 0.00 2.46 2.63 0.00 0.00 6.67 7.28 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 52 R 7.44 3.07 0.00 0.67 0.73 0.00 2.25 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 7.99 4.30 0.00 1.95 2.19 0.00 2.96 0.00 0.00 2.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 54 M 7.91 4.11 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.82 0.00 55 K 7.87 3.88 0.00 1.57 1.79 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.37 7.81 56 W 8.46 4.52 0.00 3.51 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.63 3.35 0.00 1.70 1.80 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.26 7.81 58 K 8.16 4.35 0.00 1.76 1.72 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.26 7.81 59 E 9.41 4.56 0.00 1.89 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 2.15 2.09 0.00 60 E 5.90 4.22 0.00 1.97 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 2.15 2.11 0.00