NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.1258 8.1933 116.7695 58.7916 63.7393 173.5269 2 H 4.5640 8.2116 122.2164 55.6749 28.3533 173.5499 3 Y 4.5773 7.9431 120.3109 57.3688 38.6480 175.4999 4 E 4.1907 8.8485 124.8262 56.5778 30.2401 176.0685 5 E 4.6535 8.5921 119.7505 54.9258 33.4185 175.6118 6 G 3.9409 8.9113 106.0744 43.8163 0.0000 171.2870 7 P 4.1979 0.0000 0.0000 64.2721 31.5000 177.5100 8 G 3.9017 8.8645 109.5742 45.7160 0.0000 173.8266 9 K 4.4210 8.1535 117.5130 56.0549 33.6457 176.1153 10 N 4.8615 7.9259 115.8977 52.3428 37.8108 174.5738 11 I 4.4276 7.0921 110.5084 59.1818 40.4172 173.0124 12 P 4.5365 0.0000 0.0000 62.9412 31.4022 175.7802 13 F 4.9209 6.5555 112.6759 54.8898 40.8207 174.2143 14 S 4.2368 8.7931 117.8132 58.4101 62.6916 174.0816 15 V 4.4689 8.1783 125.4533 61.5208 31.6818 176.4149 16 E 3.9866 8.1115 121.8579 58.6522 29.5927 177.0121 17 N 4.8764 7.9068 117.5905 51.3001 40.9438 174.9704 18 K 3.7099 8.5208 128.6421 59.7027 32.4411 178.7114 19 W 4.5666 8.3476 119.8028 59.0762 29.1367 178.8887 20 R 4.0153 8.1938 117.8444 58.9962 29.5819 178.4003 21 L 3.9237 8.1102 120.2937 58.1976 42.0669 178.5499 22 L 3.9528 7.9803 119.8991 58.2716 41.8842 178.8264 23 A 4.0098 8.2511 120.3012 55.5629 18.3639 179.3190 24 M 3.9901 8.2230 117.1902 59.0732 32.0451 179.0492 25 M 4.1782 8.4995 118.9868 58.6348 32.1006 178.9802 26 T 3.9935 8.0546 115.9514 66.7006 68.6691 176.7655 27 L 4.0380 8.2177 120.9709 58.2924 41.5603 178.4958 28 F 4.0117 8.7182 120.8042 61.9131 39.1181 177.0747 29 F 4.1123 8.8987 117.3321 60.1556 38.9611 178.2230 30 G 3.7224 8.3274 105.8955 47.9806 0.0000 176.0325 31 S 4.3365 8.6766 117.8583 60.7822 62.6754 176.8295 32 G 3.5027 7.4835 109.0396 47.6443 0.0000 175.3172 33 F 4.4138 8.3457 121.8484 60.6395 39.7746 176.8074 34 A 4.5210 8.4389 120.3521 54.3052 18.3693 179.0340 35 A 4.0223 7.7862 119.9416 55.4041 18.4093 177.9733 36 P 4.0874 0.0000 0.0000 65.6922 31.3304 178.8059 37 F 3.8804 7.8014 115.9267 60.6422 38.8797 177.5644 38 F 4.1607 8.4355 116.6994 59.8628 38.5725 178.0904 39 I 3.7855 7.7999 120.1565 64.2309 36.8835 178.2946 40 V 3.5156 7.7709 119.1026 65.9472 31.2142 177.8261 41 R 3.8245 7.9385 118.2992 59.8790 29.6851 177.7855 42 H 4.1731 8.1921 116.4685 59.6168 29.8854 176.9140 43 Q 4.0511 8.1205 119.0023 58.7157 28.6296 178.2437 44 L 4.1499 8.0868 119.1040 56.0525 42.5533 177.4224 45 L 4.7682 7.3324 119.2992 53.7598 41.5749 176.8496 46 K 4.5676 8.4113 116.1745 53.1705 36.2123 177.0665 47 K 3.9513 8.7390 122.9414 57.0399 32.6014 174.0023 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 S 8.19 4.13 0.00 3.88 3.78 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 2 H 8.21 4.56 0.00 3.02 3.18 0.00 5.70 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.94 4.58 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.85 4.19 0.00 1.99 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 2.33 2.29 0.00 5 E 8.59 4.65 0.00 1.91 1.81 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 2.21 2.45 0.00 6 G 8.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.20 0.00 2.03 2.02 0.00 3.73 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 2.02 2.10 0.00 8 G 8.86 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 9 K 8.15 4.42 0.00 1.80 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.45 7.81 10 N 7.93 4.86 0.00 2.75 2.83 0.00 0.00 5.85 7.81 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 11 I 7.09 4.43 0.67 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.22 0.68 0.00 0.00 12 P 0.00 4.54 0.00 2.21 2.14 0.00 3.51 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 2.15 1.98 0.00 13 F 6.56 4.92 0.00 3.04 2.93 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 14 S 8.79 4.24 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.18 4.47 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 0.79 0.00 0.00 1.01 0.00 0.00 16 E 8.11 3.99 0.00 1.99 2.05 0.00 0.00 0.00 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 2.38 0.00 17 N 7.91 4.88 0.00 2.76 2.71 0.00 0.00 6.96 6.97 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 18 K 8.52 3.71 0.00 1.53 1.76 0.00 0.97 0.00 0.00 1.09 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.89 0.21 7.81 19 W 8.35 4.57 0.00 3.48 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 20 R 8.19 4.02 0.00 2.06 2.03 0.00 3.18 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 21 L 8.11 3.92 0.00 1.85 1.75 1.08 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.98 3.95 0.00 2.12 1.96 1.31 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.25 4.01 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 24 M 8.22 3.99 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 25 M 8.50 4.18 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 26 T 8.05 3.99 4.62 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 0.00 0.00 0.00 1.27 0.00 0.00 27 L 8.22 4.04 0.00 1.91 1.75 1.00 0.87 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 28 F 8.72 4.01 0.00 2.93 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 29 F 8.90 4.11 0.00 3.19 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 30 G 8.33 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.68 4.34 0.00 3.97 4.19 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 32 G 7.48 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.35 4.41 0.00 3.10 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 34 A 8.44 4.52 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 0.00 0.00 0.00 0.00 0.00 35 A 7.79 4.02 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 36 P 0.00 4.09 0.00 1.57 1.81 0.00 3.68 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 1.90 2.05 0.00 37 F 7.80 3.88 0.00 3.17 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.44 4.16 0.00 3.22 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 39 I 7.80 3.79 1.98 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 1.42 0.95 0.92 0.00 0.00 40 V 7.77 3.52 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 1.03 0.00 0.00 0.80 0.00 0.00 41 R 7.94 3.82 0.00 1.97 2.07 0.00 3.11 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 42 H 8.19 4.17 0.00 3.27 3.60 0.00 5.81 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.12 4.05 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 44 L 8.09 4.15 0.00 1.81 1.71 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.33 4.77 0.00 1.57 1.62 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.41 4.57 0.00 1.62 1.61 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.40 7.81 47 K 8.74 3.95 0.00 1.81 1.75 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 1.14 7.81