#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pa4 n GLU 7 N 0.00 0.76 0.00 1.97 1.02 -1.26 -4.91 120.64 118.22 1pa4 n GLU 7 Ca 0.00 -1.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 1pa4 n GLU 7 Cb 0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.38 1pa4 n GLU 7 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1pa4 n ARG 8 N -0.54 0.00 -0.31 3.49 0.63 -1.26 -0.58 116.66 118.08 1pa4 n ARG 8 Ca -0.13 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 56.94 1pa4 n ARG 8 Cb 0.76 0.00 0.30 0.00 0.45 0.00 0.00 32.46 33.97 1pa4 n ARG 8 CO 0.00 0.00 0.00 1.37 -2.51 0.00 0.00 177.63 176.49 1pa4 h LEU 9 N 0.00 -0.22 -0.26 6.15 -0.00 -2.01 -0.51 115.31 118.47 1pa4 h LEU 9 Ca 0.00 0.24 0.02 0.00 -0.00 0.00 0.00 57.88 58.14 1pa4 h LEU 9 Cb 0.00 0.37 -0.03 0.00 -0.00 0.00 0.00 40.66 40.99 1pa4 h LEU 9 CO 0.00 -0.26 -0.17 -0.08 -0.00 0.00 0.00 178.44 177.93 1pa4 h GLU 10 N 0.10 -0.02 -1.15 0.17 4.81 -1.29 1.46 114.58 118.66 1pa4 h GLU 10 Ca 0.58 0.00 0.33 0.00 -0.13 0.00 0.00 59.36 60.14 1pa4 h GLU 10 Cb 1.20 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 1pa4 h GLU 10 CO -0.78 -0.01 0.80 -0.97 -0.73 0.00 0.00 179.01 177.32 1pa4 h ASN 11 N -0.02 0.12 -0.07 1.04 -0.73 0.80 0.61 115.58 117.34 1pa4 h ASN 11 Ca 0.04 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.23 1pa4 h ASN 11 Cb 0.13 0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.72 1pa4 h ASN 11 CO -0.26 0.02 0.02 -0.78 -0.37 0.00 0.00 177.43 176.06 1pa4 h ASP 12 N 0.10 0.09 -0.97 1.15 1.82 0.23 0.17 116.42 119.02 1pa4 h ASP 12 Ca 0.58 -0.20 0.05 0.00 -0.39 0.00 0.00 57.03 57.07 1pa4 h ASP 12 Cb 2.07 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 42.00 1pa4 h ASP 12 CO -0.10 0.27 0.63 0.40 -1.61 0.00 0.00 179.24 178.83 1pa4 h ILE 13 N -0.08 1.13 -0.54 2.25 2.04 0.34 0.26 117.51 122.90 1pa4 h ILE 13 Ca 0.02 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1pa4 h ILE 13 Cb 0.21 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 1pa4 h ILE 13 CO -0.00 0.22 0.14 0.40 0.00 0.00 0.00 178.15 178.91 1pa4 h ILE 14 N 1.19 1.24 0.00 -0.67 5.03 -0.82 -1.67 117.51 121.81 1pa4 h ILE 14 Ca 0.40 -0.85 -0.01 0.00 -0.12 0.00 0.00 64.86 64.28 1pa4 h ILE 14 Cb 0.07 0.76 -0.00 0.00 -3.03 0.00 0.00 36.82 34.62 1pa4 h ILE 14 CO -0.14 0.31 -0.04 -0.09 -0.68 0.00 0.00 178.15 177.51 1pa4 h ARG 15 N 0.76 0.00 0.31 2.37 2.43 0.60 -2.27 114.38 118.57 1pa4 h ARG 15 Ca 0.17 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1pa4 h ARG 15 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1pa4 h ARG 15 CO -0.00 0.04 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.29 1pa4 h LEU 16 N 0.00 -0.35 -2.18 3.80 4.07 0.41 0.21 115.31 121.27 1pa4 h LEU 16 Ca -0.00 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.03 1pa4 h LEU 16 Cb 0.48 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1pa4 h LEU 16 CO 0.01 -0.18 0.24 0.40 -1.08 0.00 0.00 178.44 177.83 1pa4 h ILE 17 N -0.56 0.44 -0.10 1.22 1.08 -1.48 0.38 117.51 118.49 1pa4 h ILE 17 Ca -0.04 0.00 -0.21 0.00 -0.39 0.00 0.00 64.86 64.22 1pa4 h ILE 17 Cb 0.32 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1pa4 h ILE 17 CO 0.07 0.00 -0.78 -1.13 -0.69 0.00 0.00 178.15 175.62 1pa4 h ASN 18 N 0.00 0.69 0.61 1.72 -1.24 -1.25 -2.78 115.58 113.33 1pa4 h ASN 18 Ca 0.10 -0.46 -0.02 0.00 0.71 0.00 0.00 56.30 56.63 1pa4 h ASN 18 Cb 0.59 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.43 1pa4 h ASN 18 CO -0.00 1.23 -0.11 0.03 -1.29 0.00 0.00 177.43 177.29 1pa4 h ARG 19 N 0.38 0.00 0.18 6.67 2.47 0.31 -2.53 114.38 121.86 1pa4 h ARG 19 Ca -0.05 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1pa4 h ARG 19 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 1pa4 h ARG 19 CO 0.15 0.11 -0.09 0.00 0.56 0.00 0.00 179.97 180.70 1pa4 h THR 20 N 0.00 0.52 -0.94 2.04 1.03 -1.18 -3.23 112.91 111.15 1pa4 h THR 20 Ca -0.00 -1.06 0.23 0.00 -0.01 0.00 0.00 66.41 65.57 1pa4 h THR 20 Cb 0.44 0.90 -0.07 0.00 -1.07 0.00 0.00 68.15 68.36 1pa4 h THR 20 CO 0.01 0.15 0.63 0.58 -0.01 0.00 0.00 175.52 176.88 1pa4 h VAL 21 N -0.98 0.62 0.00 0.00 2.07 -1.41 -3.23 116.25 113.31 1pa4 h VAL 21 Ca -0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1pa4 h VAL 21 Cb 0.43 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1pa4 h VAL 21 CO 0.04 0.06 0.00 -0.38 0.02 0.00 0.00 177.57 177.31 1pa4 n ILE 22 N -4.49 0.00 -1.38 4.57 2.08 -0.96 0.82 119.36 120.00 1pa4 n ILE 22 Ca 0.21 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.52 1pa4 n ILE 22 Cb 0.79 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.68 1pa4 n ILE 22 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1pa4 n HIS 23 N 0.00 0.00 -1.58 1.39 -0.00 -1.25 -5.09 115.22 108.69 1pa4 n HIS 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pa4 n HIS 23 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 29.97 1pa4 n HIS 23 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1pa4 n GLU 24 N 0.00 2.37 -2.70 1.57 0.00 0.24 -4.92 120.64 117.20 1pa4 n GLU 24 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.15 1pa4 n GLU 24 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.02 1pa4 n GLU 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1pa4 n ILE 25 N -0.10-11.76 -0.90 6.31 2.08 -1.26 -3.91 119.36 109.82 1pa4 n ILE 25 Ca 0.00 1.73 -0.35 0.00 0.56 0.00 0.00 62.75 64.69 1pa4 n ILE 25 Cb 0.00 -6.91 -0.05 0.00 -0.75 0.00 0.00 39.64 31.93 1pa4 n ILE 25 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1pa4 n TYR 26 N 0.59 0.73 -2.95 1.39 4.01 -1.26 0.23 117.16 119.91 1pa4 n TYR 26 Ca 0.01 0.61 -0.18 0.00 -0.16 0.00 0.00 57.90 58.17 1pa4 n TYR 26 Cb 0.04 -1.18 0.03 0.00 -0.31 0.00 0.00 39.34 37.93 1pa4 n TYR 26 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pa4 n ASN 27 N 1.67 -5.33 -0.66 7.72 5.15 -1.26 -4.01 115.26 118.55 1pa4 n ASN 27 Ca 0.15 -0.26 0.00 0.00 -0.60 0.00 0.00 54.58 53.86 1pa4 n ASN 27 Cb -0.00 -4.14 0.00 0.00 -0.53 0.00 0.00 39.78 35.11 1pa4 n ASN 27 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1pa4 n GLU 28 N -3.52 0.00 -0.03 1.20 1.02 0.64 -4.74 120.64 115.20 1pa4 n GLU 28 Ca -0.08 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1pa4 n GLU 28 Cb 0.59 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.01 1pa4 n GLU 28 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1pa4 h THR 29 N 0.22 0.00 -0.90 2.62 2.02 -1.70 -3.35 112.91 111.82 1pa4 h THR 29 Ca 0.00 -0.49 0.26 0.00 0.77 0.00 0.00 66.41 66.95 1pa4 h THR 29 Cb 0.00 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1pa4 h THR 29 CO 0.00 0.00 1.00 -0.37 0.37 0.00 0.00 175.52 176.52 1pa4 h VAL 30 N -0.49 0.11 -0.60 3.16 -1.51 -1.85 0.74 116.25 115.81 1pa4 h VAL 30 Ca 0.00 0.00 0.17 0.00 -1.23 0.00 0.00 66.70 65.64 1pa4 h VAL 30 Cb 0.19 0.19 -0.02 0.00 -2.13 0.00 0.00 31.29 29.52 1pa4 h VAL 30 CO 0.00 0.00 0.84 0.50 -1.23 0.00 0.00 177.57 177.68 1pa4 h LYS 31 N 0.00 0.00 0.13 5.19 1.63 -1.92 1.55 116.57 123.15 1pa4 h LYS 31 Ca 0.43 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.89 1pa4 h LYS 31 Cb 2.43 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 34.06 1pa4 h LYS 31 CO -0.00 0.00 -1.78 0.00 -3.45 0.00 0.00 179.45 174.21 1pa4 h THR 32 N 0.00 0.87 0.00 1.00 1.03 0.26 -3.41 112.91 112.66 1pa4 h THR 32 Ca 0.29 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 64.15 1pa4 h THR 32 Cb 1.96 2.65 0.00 0.00 -1.07 0.00 0.00 68.15 71.69 1pa4 h THR 32 CO -0.00 0.83 0.00 0.61 -0.01 0.00 0.00 175.52 176.95 1pa4 n GLY 33 N 1.83 0.00 2.00 2.99 0.00 0.53 -3.93 105.19 108.61 1pa4 n GLY 33 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 1pa4 n GLY 33 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1pa4 n HIS 34 N 0.00 -2.28 -2.20 1.61 8.25 -1.25 0.23 115.22 119.59 1pa4 n HIS 34 Ca 0.00 1.33 -0.33 0.00 -0.26 0.00 0.00 57.72 58.46 1pa4 n HIS 34 Cb 0.00 -2.75 -0.00 0.00 1.12 0.00 0.00 29.99 28.36 1pa4 n HIS 34 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pa4 s VAL 35 N -0.33 3.68 0.00 1.59 1.01 -1.26 -1.96 120.40 123.13 1pa4 s VAL 35 Ca -0.13 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.75 1pa4 s VAL 35 Cb 0.01 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1pa4 s VAL 35 CO 0.35 -0.37 0.72 1.07 0.00 0.00 0.00 175.10 176.87 1pa4 n THR 36 N -1.66 0.51 0.00 3.92 5.66 -1.26 -4.88 114.28 116.57 1pa4 n THR 36 Ca 0.09 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 60.53 1pa4 n THR 36 Cb 0.52 0.81 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 1pa4 n THR 36 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1pa4 n HIS 37 N -0.25 0.00 -1.67 1.09 8.25 -1.26 -5.13 115.22 116.25 1pa4 n HIS 37 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1pa4 n HIS 37 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1pa4 n HIS 37 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1pa4 n VAL 38 N -0.84 -5.50 -4.45 1.59 3.14 -1.26 -5.01 118.33 106.00 1pa4 n VAL 38 Ca 0.00 2.50 -0.21 0.00 -2.96 0.00 0.00 64.34 63.68 1pa4 n VAL 38 Cb 0.00 -3.42 -0.14 0.00 -1.06 0.00 0.00 33.84 29.22 1pa4 n VAL 38 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1pa4 s LYS 39 N -3.50 0.98 0.19 1.45 -2.85 -0.86 -4.98 119.74 110.18 1pa4 s LYS 39 Ca 0.00 -0.65 0.07 0.00 -1.00 0.00 0.00 55.97 54.39 1pa4 s LYS 39 Cb 0.00 -0.98 -0.04 0.00 -2.06 0.00 0.00 37.83 34.75 1pa4 s LYS 39 CO 0.00 0.25 0.05 -0.51 0.10 0.00 0.00 175.35 175.25 1pa4 s LEU 40 N -0.82 3.47 0.17 2.77 2.01 -1.26 -1.40 118.68 123.62 1pa4 s LEU 40 Ca 0.03 -0.34 -0.18 0.00 0.01 0.00 0.00 54.13 53.64 1pa4 s LEU 40 Cb -0.07 -2.09 0.04 0.00 0.01 0.00 0.00 46.19 44.08 1pa4 s LEU 40 CO 0.01 0.06 0.50 -0.44 1.01 0.00 0.00 176.35 177.48 1pa4 s SER 41 N -3.17 -0.30 0.00 2.29 0.01 -0.21 -4.99 113.70 107.33 1pa4 s SER 41 Ca 0.29 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1pa4 s SER 41 Cb -0.09 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1pa4 s SER 41 CO 0.21 -0.98 0.00 0.47 0.41 0.00 0.00 173.24 173.35 1pa4 n ASP 42 N -0.31 0.00 -2.69 2.44 8.00 -1.26 -2.62 116.55 120.11 1pa4 n ASP 42 Ca -0.13 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.31 1pa4 n ASP 42 Cb 0.63 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.84 1pa4 n ASP 42 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1pa4 n ASP 43 N 3.54 -1.70 0.00 -2.24 8.00 -1.26 -4.91 116.55 117.99 1pa4 n ASP 43 Ca 0.00 -2.63 0.00 0.00 0.71 0.00 0.00 54.79 52.87 1pa4 n ASP 43 Cb 0.00 1.48 0.00 0.00 -0.02 0.00 0.00 41.12 42.58 1pa4 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pa4 n LEU 44 N 0.40 0.01 0.08 0.64 4.77 -1.09 -4.83 117.00 116.97 1pa4 n LEU 44 Ca -0.01 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 1pa4 n LEU 44 Cb 0.73 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.70 1pa4 n LEU 44 CO -0.04 -0.00 0.08 -0.07 -1.33 0.00 0.00 177.39 176.02 1pa4 h LEU 45 N 0.00 0.22 -8.31 2.23 3.38 -1.82 -3.43 115.31 107.59 1pa4 h LEU 45 Ca 0.00 -0.23 -0.68 0.00 0.09 0.00 0.00 57.88 57.06 1pa4 h LEU 45 Cb 0.00 -0.07 -0.28 0.00 0.09 0.00 0.00 40.66 40.40 1pa4 h LEU 45 CO 0.00 1.16 -0.66 -1.00 0.09 0.00 0.00 178.44 178.03 1pa4 s HIS 46 N -2.76 3.13 -0.22 1.13 3.76 -1.08 -3.36 115.29 115.89 1pa4 s HIS 46 Ca -0.02 -1.18 -0.02 0.00 -0.15 0.00 0.00 55.06 53.70 1pa4 s HIS 46 Cb 0.09 -2.19 0.07 0.00 1.11 0.00 0.00 32.58 31.65 1pa4 s HIS 46 CO 0.85 -0.63 0.03 0.08 -0.85 0.00 0.00 174.74 174.22 1pa4 s VAL 47 N 1.44 0.71 -0.47 -0.90 1.01 -1.26 -1.05 120.40 119.88 1pa4 s VAL 47 Ca 0.02 -0.79 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 1pa4 s VAL 47 Cb -0.17 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.03 1pa4 s VAL 47 CO 0.00 -0.27 0.46 -0.89 0.00 0.00 0.00 175.10 174.40 1pa4 s THR 48 N 1.76 5.11 -0.33 3.92 2.01 -0.49 -0.12 115.64 127.49 1pa4 s THR 48 Ca 0.00 -0.77 -0.18 0.00 0.31 0.00 0.00 61.69 61.05 1pa4 s THR 48 Cb -0.17 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 1pa4 s THR 48 CO -0.11 -0.60 0.53 0.68 -0.69 0.00 0.00 174.62 174.42 1pa4 s VAL 49 N 2.01 5.01 0.13 3.82 -7.23 -0.67 -2.04 120.40 121.43 1pa4 s VAL 49 Ca 0.08 0.49 -0.01 0.00 -1.81 0.00 0.00 61.98 60.74 1pa4 s VAL 49 Cb -0.21 -3.94 -0.20 0.00 0.56 0.00 0.00 36.38 32.58 1pa4 s VAL 49 CO 0.09 -0.16 1.28 1.88 -0.31 0.00 0.00 175.10 177.89 1pa4 h TYR 50 N 8.36 0.39 -3.76 2.82 -1.99 -1.89 0.44 116.97 121.35 1pa4 h TYR 50 Ca -0.28 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.21 1pa4 h TYR 50 Cb 1.13 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.82 1pa4 h TYR 50 CO 0.73 1.11 -0.90 1.28 -0.00 0.00 0.00 178.16 180.39 1pa4 n LEU 51 N -3.61 -4.44 -0.00 3.88 4.77 -1.26 -3.89 117.00 112.45 1pa4 n LEU 51 Ca -0.05 3.04 0.02 0.00 -0.03 0.00 0.00 56.01 58.98 1pa4 n LEU 51 Cb 0.89 -2.90 -0.02 0.00 -2.33 0.00 0.00 43.42 39.06 1pa4 n LEU 51 CO 0.50 -0.14 -0.50 -0.67 -1.33 0.00 0.00 177.39 175.25 1pa4 n ASP 52 N -0.14 4.03 0.00 -1.43 2.03 -0.83 -4.88 116.55 115.33 1pa4 n ASP 52 Ca 0.00 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1pa4 n ASP 52 Cb 0.00 1.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.53 1pa4 n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pa4 n TYR 54 N 5.28 3.45 0.00 0.00 4.02 -1.26 -4.70 117.16 123.95 1pa4 n TYR 54 Ca 0.00 -4.07 0.00 0.00 -0.01 0.00 0.00 57.90 53.82 1pa4 n TYR 54 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 1pa4 n TYR 54 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1pa4 n ASN 55 N 0.54 0.00 0.00 7.72 2.85 -0.08 -3.65 115.26 122.64 1pa4 n ASN 55 Ca 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 1pa4 n ASN 55 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1pa4 n ASN 55 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1pa4 n ARG 56 N 0.00 0.00 -0.17 1.20 1.85 -1.26 -4.92 116.66 113.36 1pa4 n ARG 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1pa4 n ARG 56 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1pa4 n ARG 56 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1pa4 n GLU 57 N 0.00 0.00 0.00 2.89 0.28 -1.24 -4.90 120.64 117.67 1pa4 n GLU 57 Ca 0.00 -0.24 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 1pa4 n GLU 57 Cb 0.00 -0.18 0.00 0.00 1.43 0.00 0.00 31.44 32.69 1pa4 n GLU 57 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1pa4 n GLN 58 N 0.00 1.26 -0.35 3.44 6.02 -1.26 -4.86 117.38 121.62 1pa4 n GLN 58 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1pa4 n GLN 58 Cb 0.52 -0.45 0.24 0.00 1.02 0.00 0.00 30.24 31.58 1pa4 n GLN 58 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 1pa4 h ILE 59 N 0.00 0.01 -0.90 5.09 6.09 -1.90 1.57 117.51 127.47 1pa4 h ILE 59 Ca 0.00 -0.00 0.37 0.00 -1.37 0.00 0.00 64.86 63.86 1pa4 h ILE 59 Cb 0.00 0.00 -0.16 0.00 0.47 0.00 0.00 36.82 37.13 1pa4 h ILE 59 CO 0.00 0.00 0.47 0.47 -3.07 0.00 0.00 178.15 176.02 1pa4 n ASP 60 N -5.54 0.30 0.12 2.19 8.00 -1.26 0.24 116.55 120.60 1pa4 n ASP 60 Ca 0.21 1.49 -0.24 0.00 0.71 0.00 0.00 54.79 56.96 1pa4 n ASP 60 Cb 0.68 -0.72 -0.16 0.00 -0.02 0.00 0.00 41.12 40.90 1pa4 n ASP 60 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1pa4 h ARG 61 N 0.00 0.50 0.51 -1.24 2.47 0.19 -2.56 114.38 114.24 1pa4 h ARG 61 Ca 0.76 -0.85 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1pa4 h ARG 61 Cb 2.00 0.32 0.00 0.00 -1.65 0.00 0.00 29.97 30.64 1pa4 h ARG 61 CO -0.70 1.41 -0.24 0.28 0.56 0.00 0.00 179.97 181.28 1pa4 h VAL 62 N 0.09 0.00 -0.75 2.04 2.07 0.37 -0.78 116.25 119.29 1pa4 h VAL 62 Ca -0.27 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.28 1pa4 h VAL 62 Cb 2.12 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.78 1pa4 h VAL 62 CO 0.25 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.64 1pa4 h VAL 63 N -0.82 0.54 -0.63 2.57 2.07 0.18 0.68 116.25 120.85 1pa4 h VAL 63 Ca -0.07 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1pa4 h VAL 63 Cb 0.52 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1pa4 h VAL 63 CO 0.11 0.06 0.42 1.23 0.02 0.00 0.00 177.57 179.41 1pa4 h GLY 64 N 0.32 0.71 1.22 2.17 0.00 -1.39 -0.98 103.07 105.12 1pa4 h GLY 64 Ca 0.43 -0.21 -0.29 0.00 0.00 0.00 0.00 47.33 47.26 1pa4 h GLY 64 CO -0.49 0.14 -1.18 0.00 0.00 0.00 0.00 176.54 175.01 1pa4 h ALA 65 N 1.67 0.04 -0.18 3.60 0.00 0.17 -3.14 119.26 121.42 1pa4 h ALA 65 Ca 0.28 -0.75 0.05 0.00 0.00 0.00 0.00 54.91 54.50 1pa4 h ALA 65 Cb 0.42 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pa4 h ALA 65 CO -0.09 0.68 0.25 0.74 0.00 0.00 0.00 179.25 180.84 1pa4 h PHE 66 N 0.32 0.00 0.53 0.00 -1.00 0.95 0.85 116.94 118.59 1pa4 h PHE 66 Ca -0.17 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.58 1pa4 h PHE 66 Cb 1.84 0.00 0.01 0.00 3.61 0.00 0.00 35.95 41.41 1pa4 h PHE 66 CO 0.11 0.00 -0.25 -0.97 -1.61 0.00 0.00 178.31 175.59 1pa4 h ASN 67 N 0.00 -0.60 1.16 2.17 -1.24 -1.33 0.15 115.58 115.89 1pa4 h ASN 67 Ca 0.09 -0.05 -0.10 0.00 0.71 0.00 0.00 56.30 56.94 1pa4 h ASN 67 Cb 0.58 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 1pa4 h ASN 67 CO -0.00 -0.28 -0.50 1.56 -1.29 0.00 0.00 177.43 176.92 1pa4 h GLN 68 N -0.94 0.00 0.00 6.67 4.20 -1.41 -2.74 115.11 120.89 1pa4 h GLN 68 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1pa4 h GLN 68 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1pa4 h GLN 68 CO 0.12 0.50 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 1pa4 n ALA 69 N -2.27 2.19 0.33 3.87 0.00 0.29 -3.19 120.51 121.72 1pa4 n ALA 69 Ca 0.01 -0.09 0.15 0.00 0.00 0.00 0.00 53.44 53.50 1pa4 n ALA 69 Cb 0.66 -1.41 0.78 0.00 0.00 0.00 0.00 19.45 19.47 1pa4 n ALA 69 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1pa4 h LYS 70 N 0.00 0.00 0.59 0.00 3.64 -0.38 -1.02 116.57 119.41 1pa4 h LYS 70 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1pa4 h LYS 70 Cb 0.41 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1pa4 h LYS 70 CO 0.00 0.00 -0.28 0.78 -2.27 0.00 0.00 179.45 177.68 1pa4 h GLY 71 N 0.00 -0.83 0.67 5.01 0.00 -1.78 -0.66 103.07 105.48 1pa4 h GLY 71 Ca 0.00 0.31 0.07 0.00 0.00 0.00 0.00 47.33 47.70 1pa4 h GLY 71 CO 0.00 -0.30 0.45 -0.39 0.00 0.00 0.00 176.54 176.30 1pa4 h VAL 72 N -1.21 0.99 0.52 4.60 -1.51 -1.48 -0.50 116.25 117.65 1pa4 h VAL 72 Ca -0.08 -0.28 -0.02 0.00 -1.23 0.00 0.00 66.70 65.10 1pa4 h VAL 72 Cb 0.61 0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 29.86 1pa4 h VAL 72 CO 0.13 0.15 -0.44 -0.26 -1.23 0.00 0.00 177.57 175.92 1pa4 h PHE 73 N 0.81 -1.19 -0.79 5.19 0.04 -1.37 -1.57 116.94 118.05 1pa4 h PHE 73 Ca 0.34 0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.28 1pa4 h PHE 73 Cb 0.21 0.45 -0.05 0.00 2.20 0.00 0.00 35.95 38.76 1pa4 h PHE 73 CO -0.06 -0.62 0.53 1.03 -0.60 0.00 0.00 178.31 178.59 1pa4 h SER 74 N -0.95 0.36 -0.38 2.17 0.87 -0.75 0.35 113.55 115.23 1pa4 h SER 74 Ca -0.06 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1pa4 h SER 74 Cb 0.81 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 1pa4 h SER 74 CO -0.02 0.18 0.18 -0.09 -0.53 0.00 0.00 176.83 176.55 1pa4 h ARG 75 N 0.38 0.60 0.30 2.24 2.43 -0.17 -0.19 114.38 119.98 1pa4 h ARG 75 Ca 0.39 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1pa4 h ARG 75 Cb 0.97 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1pa4 h ARG 75 CO -0.12 0.49 -0.23 0.28 -1.51 0.00 0.00 179.97 178.88 1pa4 h VAL 76 N 0.60 0.00 -0.25 0.20 2.07 0.54 -1.23 116.25 118.19 1pa4 h VAL 76 Ca 0.15 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.74 1pa4 h VAL 76 Cb 0.11 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1pa4 h VAL 76 CO -0.02 0.00 0.22 -0.07 0.02 0.00 0.00 177.57 177.72 1pa4 h LEU 77 N -0.51 0.00 -0.64 2.57 4.07 -1.49 0.44 115.31 119.76 1pa4 h LEU 77 Ca -0.04 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.96 1pa4 h LEU 77 Cb 0.42 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.11 1pa4 h LEU 77 CO 0.01 0.00 0.38 0.00 -1.08 0.00 0.00 178.44 177.75 1pa4 h ALA 78 N 1.80 0.84 -0.05 1.53 0.00 -0.09 0.30 119.26 123.59 1pa4 h ALA 78 Ca 0.12 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1pa4 h ALA 78 Cb 0.55 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pa4 h ALA 78 CO -0.00 0.09 0.33 1.25 0.00 0.00 0.00 179.25 180.92 1pa4 h HIS 79 N 0.72 0.00 0.00 0.00 6.17 0.23 -3.28 115.15 118.98 1pa4 h HIS 79 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.35 1pa4 h HIS 79 Cb 0.09 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.02 1pa4 h HIS 79 CO -0.06 0.00 0.00 0.09 0.71 0.00 0.00 177.93 178.67 1pa4 n ASN 80 N -3.00 0.00 -3.69 3.26 4.13 0.73 -5.06 115.26 111.63 1pa4 n ASN 80 Ca -0.01 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.97 1pa4 n ASN 80 Cb 0.39 0.00 0.20 0.00 -1.54 0.00 0.00 39.78 38.84 1pa4 n ASN 80 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1pa4 n LEU 81 N -0.66 0.00 -3.15 3.41 4.32 0.54 -5.09 117.00 116.38 1pa4 n LEU 81 Ca 0.00 -1.29 0.05 0.00 -0.02 0.00 0.00 56.01 54.76 1pa4 n LEU 81 Cb 0.00 -0.95 -0.00 0.00 -1.62 0.00 0.00 43.42 40.85 1pa4 n LEU 81 CO 0.00 -1.59 0.41 -0.31 -1.22 0.00 0.00 177.39 174.68 1pa4 s TYR 82 N -3.47 -0.88 0.17 -1.77 2.02 -1.26 -4.23 117.35 107.93 1pa4 s TYR 82 Ca 0.69 0.57 -0.09 0.00 -0.37 0.00 0.00 57.07 57.87 1pa4 s TYR 82 Cb -0.03 0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.69 1pa4 s TYR 82 CO 0.50 -0.51 0.30 -1.17 -1.57 0.00 0.00 175.55 173.10 1pa4 s LEU 83 N 2.92 0.90 0.30 -1.29 0.20 -1.26 -5.02 118.68 115.43 1pa4 s LEU 83 Ca 0.19 -0.87 0.01 0.00 0.69 0.00 0.00 54.13 54.15 1pa4 s LEU 83 Cb -0.05 1.24 0.73 0.00 -0.43 0.00 0.00 46.19 47.67 1pa4 s LEU 83 CO -0.22 -0.91 1.57 0.00 -0.29 0.00 0.00 176.35 176.50 1pa4 h ALA 84 N 2.52 1.14 0.00 5.97 0.00 -2.02 -3.33 119.26 123.53 1pa4 h ALA 84 Ca -0.31 0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1pa4 h ALA 84 Cb 1.23 0.59 -0.12 0.00 0.00 0.00 0.00 17.79 19.49 1pa4 h ALA 84 CO 0.47 -0.56 -0.09 0.36 0.00 0.00 0.00 179.25 179.44 1pa4 n LYS 85 N -5.49 0.41 -0.10 0.00 -0.00 -1.26 -5.02 118.16 106.70 1pa4 n LYS 85 Ca 0.23 -1.08 -0.20 0.00 -0.00 0.00 0.00 58.31 57.25 1pa4 n LYS 85 Cb 0.74 -0.44 -0.10 0.00 -0.00 0.00 0.00 35.03 35.23 1pa4 n LYS 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pa4 n ALA 86 N 0.51 0.77 -2.63 0.58 0.00 -1.25 -4.88 120.51 113.60 1pa4 n ALA 86 Ca -0.02 -0.51 -0.38 0.00 0.00 0.00 0.00 53.44 52.54 1pa4 n ALA 86 Cb 0.74 -0.48 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 1pa4 n ALA 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pa4 s VAL 87 N -2.36 5.15 -0.30 0.00 -7.23 -1.26 -4.64 120.40 109.76 1pa4 s VAL 87 Ca -0.28 0.80 -0.17 0.00 -1.81 0.00 0.00 61.98 60.52 1pa4 s VAL 87 Cb 0.06 -3.72 0.18 0.00 0.56 0.00 0.00 36.38 33.46 1pa4 s VAL 87 CO 0.55 0.45 1.16 -1.58 -0.31 0.00 0.00 175.10 175.38 1pa4 s GLN 88 N -0.17 0.15 0.18 4.82 0.74 -1.21 -4.93 119.66 119.23 1pa4 s GLN 88 Ca 0.23 0.34 -0.30 0.00 0.05 0.00 0.00 55.36 55.68 1pa4 s GLN 88 Cb -0.15 0.18 -0.08 0.00 1.10 0.00 0.00 33.01 34.06 1pa4 s GLN 88 CO 0.10 -0.05 1.12 0.42 -0.55 0.00 0.00 175.29 176.33 1pa4 s ILE 89 N 2.02 3.81 -0.08 -2.34 1.01 -1.26 -4.23 121.20 120.13 1pa4 s ILE 89 Ca -0.02 1.55 -0.02 0.00 0.00 0.00 0.00 60.65 62.16 1pa4 s ILE 89 Cb -0.03 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 1pa4 s ILE 89 CO -0.16 0.26 0.02 -2.28 0.00 0.00 0.00 174.94 172.78 1pa4 s HIS 90 N -0.17 3.21 -0.04 3.97 2.46 0.82 -4.98 115.29 120.55 1pa4 s HIS 90 Ca 0.50 0.22 -0.19 0.00 0.47 0.00 0.00 55.06 56.06 1pa4 s HIS 90 Cb -0.30 -1.80 -0.05 0.00 -0.13 0.00 0.00 32.58 30.31 1pa4 s HIS 90 CO 0.35 0.50 0.54 -0.59 -2.47 0.00 0.00 174.74 173.07 1pa4 s PHE 91 N -0.92 3.63 0.04 3.88 -0.12 -1.26 -1.67 117.98 121.55 1pa4 s PHE 91 Ca 0.14 1.08 -0.01 0.00 -0.05 0.00 0.00 56.93 58.09 1pa4 s PHE 91 Cb -0.11 -2.56 -0.03 0.00 -0.63 0.00 0.00 43.02 39.68 1pa4 s PHE 91 CO 0.03 0.31 -0.01 0.08 -0.05 0.00 0.00 175.22 175.59 1pa4 s VAL 92 N 0.01 0.18 0.15 -2.49 1.01 0.15 -4.86 120.40 114.55 1pa4 s VAL 92 Ca 0.29 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1pa4 s VAL 92 Cb -0.17 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.14 1pa4 s VAL 92 CO 0.15 -0.80 0.00 0.29 0.00 0.00 0.00 175.10 174.74 1pa4 n LYS 93 N 0.62 0.00 -0.30 2.72 5.02 -1.25 -3.88 118.16 121.09 1pa4 n LYS 93 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1pa4 n LYS 93 Cb 0.59 -0.21 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1pa4 n LYS 93 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1pa4 n ASP 94 N -3.24 0.00 0.00 4.39 8.00 -1.26 -4.87 116.55 119.57 1pa4 n ASP 94 Ca 0.00 -1.55 0.00 0.00 0.71 0.00 0.00 54.79 53.95 1pa4 n ASP 94 Cb 0.07 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1pa4 n ASP 94 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pa4 n LYS 95 N 0.00 0.00 0.00 -1.24 4.81 -1.26 -3.17 118.16 117.30 1pa4 n LYS 95 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pa4 n LYS 95 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 1pa4 n LYS 95 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pa4 n ALA 96 N 0.00 0.00 -1.75 3.14 0.00 -1.26 -4.92 120.51 115.73 1pa4 n ALA 96 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1pa4 n ALA 96 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1pa4 n ALA 96 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1pa4 n ILE 97 N 0.00 -0.22 0.18 0.00 3.06 -1.26 -4.76 119.36 116.36 1pa4 n ILE 97 Ca 0.00 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.33 1pa4 n ILE 97 Cb 0.00 -1.88 0.40 0.00 0.54 0.00 0.00 39.64 38.69 1pa4 n ILE 97 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1pa4 n ASP 98 N -1.24 0.39 -0.02 9.51 8.00 -1.19 -1.06 116.55 130.94 1pa4 n ASP 98 Ca -0.18 0.66 -0.17 0.00 0.71 0.00 0.00 54.79 55.81 1pa4 n ASP 98 Cb 0.60 -0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 1pa4 n ASP 98 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1pa4 h ASN 99 N 0.00 0.77 -5.09 -2.24 -0.73 -1.86 -3.48 115.58 102.96 1pa4 h ASN 99 Ca 0.00 -0.65 0.13 0.00 1.87 0.00 0.00 56.30 57.65 1pa4 h ASN 99 Cb 0.07 -0.23 -0.10 0.00 0.27 0.00 0.00 38.32 38.33 1pa4 h ASN 99 CO 0.00 1.30 0.43 0.00 -0.37 0.00 0.00 177.43 178.79 1pa4 s ALA 100 N -3.66 -1.64 0.00 1.57 0.00 -0.23 -5.23 121.76 112.57 1pa4 s ALA 100 Ca -0.12 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1pa4 s ALA 100 Cb 0.07 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1pa4 s ALA 100 CO 0.87 -0.93 0.00 -0.12 0.00 0.00 0.00 175.76 175.57