#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 0.56 0.00 1.64 1.02 -1.26 -5.01 120.64 117.59 1pa4 n GLU 7 Ca 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 1pa4 n GLU 7 Cb 0.00 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1pa4 n GLU 7 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pa4 n ARG 8 N 0.74 0.00 -0.20 3.49 5.12 -1.26 -2.01 116.66 122.54 1pa4 n ARG 8 Ca 0.02 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.91 1pa4 n ARG 8 Cb 0.71 -0.23 0.08 0.00 -1.16 0.00 0.00 32.46 31.86 1pa4 n ARG 8 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 1pa4 h LEU 9 N 0.00 0.42 -0.30 0.55 -0.00 -1.98 -2.34 115.31 111.66 1pa4 h LEU 9 Ca 0.00 0.03 0.03 0.00 -0.00 0.00 0.00 57.88 57.94 1pa4 h LEU 9 Cb 0.00 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 40.58 1pa4 h LEU 9 CO 0.00 0.28 -0.18 1.21 -0.00 0.00 0.00 178.44 179.76 1pa4 n GLU 10 N -4.86 -0.13 -0.11 0.17 2.13 -1.26 -0.03 120.64 116.56 1pa4 n GLU 10 Ca 0.07 1.06 -0.05 0.00 0.66 0.00 0.00 57.16 58.89 1pa4 n GLU 10 Cb 0.17 -1.58 0.01 0.00 0.27 0.00 0.00 31.44 30.30 1pa4 n GLU 10 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1pa4 h ASN 11 N 0.00 -0.35 -0.93 4.31 -0.73 -1.19 0.37 115.58 117.05 1pa4 h ASN 11 Ca 0.05 0.11 0.25 0.00 1.87 0.00 0.00 56.30 58.58 1pa4 h ASN 11 Cb 0.12 0.23 -0.17 0.00 0.27 0.00 0.00 38.32 38.77 1pa4 h ASN 11 CO -0.28 -0.12 0.07 -0.78 -0.37 0.00 0.00 177.43 175.94 1pa4 h ASP 12 N -0.01 -0.36 0.18 1.15 3.58 0.10 0.54 116.42 121.61 1pa4 h ASP 12 Ca 0.17 0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 1pa4 h ASP 12 Cb 0.27 0.42 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1pa4 h ASP 12 CO -0.38 -0.29 -0.09 0.40 -2.88 0.00 0.00 179.24 176.00 1pa4 h ILE 13 N 0.06 0.93 -0.68 2.25 5.03 0.15 -1.37 117.51 123.88 1pa4 h ILE 13 Ca 0.56 -0.61 0.13 0.00 -0.12 0.00 0.00 64.86 64.82 1pa4 h ILE 13 Cb 1.14 1.29 -0.13 0.00 -3.03 0.00 0.00 36.82 36.09 1pa4 h ILE 13 CO -0.83 0.14 -0.25 0.40 -0.68 0.00 0.00 178.15 176.93 1pa4 h ILE 14 N -0.55 0.22 0.00 -0.67 5.03 0.14 1.56 117.51 123.25 1pa4 h ILE 14 Ca -0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.69 1pa4 h ILE 14 Cb 0.41 0.22 -0.00 0.00 -3.03 0.00 0.00 36.82 34.42 1pa4 h ILE 14 CO 0.04 0.00 -0.10 -0.09 -0.68 0.00 0.00 178.15 177.32 1pa4 h ARG 15 N -0.06 0.00 0.23 2.37 2.43 -0.16 -2.63 114.38 116.56 1pa4 h ARG 15 Ca 0.30 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1pa4 h ARG 15 Cb 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1pa4 h ARG 15 CO -0.73 0.10 -0.13 1.25 -1.51 0.00 0.00 179.97 178.95 1pa4 h LEU 16 N 0.00 -0.31 -1.50 3.80 5.85 0.34 0.16 115.31 123.64 1pa4 h LEU 16 Ca -0.00 0.02 0.28 0.00 0.84 0.00 0.00 57.88 59.02 1pa4 h LEU 16 Cb 0.23 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 1pa4 h LEU 16 CO 0.01 -0.20 0.70 0.40 -0.34 0.00 0.00 178.44 179.01 1pa4 h ILE 17 N -0.33 0.50 0.23 4.05 1.08 -1.28 0.30 117.51 122.06 1pa4 h ILE 17 Ca -0.03 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1pa4 h ILE 17 Cb 0.26 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1pa4 h ILE 17 CO 0.04 0.06 -0.11 -1.13 -0.69 0.00 0.00 178.15 176.32 1pa4 h ASN 18 N 0.30 -0.26 -1.04 1.72 -1.24 -1.05 0.25 115.58 114.26 1pa4 h ASN 18 Ca 0.59 -0.01 0.28 0.00 0.71 0.00 0.00 56.30 57.87 1pa4 h ASN 18 Cb 1.66 0.07 -0.12 0.00 0.73 0.00 0.00 38.32 40.65 1pa4 h ASN 18 CO -0.24 -0.16 0.64 -0.09 -1.29 0.00 0.00 177.43 176.29 1pa4 h ARG 19 N -0.33 0.41 0.05 6.67 2.43 0.25 0.67 114.38 124.54 1pa4 h ARG 19 Ca -0.03 -0.02 -0.25 0.00 -0.81 0.00 0.00 59.98 58.87 1pa4 h ARG 19 Cb 0.25 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1pa4 h ARG 19 CO 0.05 0.27 -1.06 0.00 -1.51 0.00 0.00 179.97 177.72 1pa4 h THR 20 N 0.42 1.41 0.00 0.20 1.03 -1.01 -2.93 112.91 112.04 1pa4 h THR 20 Ca 0.66 -2.62 0.00 0.00 -0.01 0.00 0.00 66.41 64.44 1pa4 h THR 20 Cb 1.53 2.60 0.00 0.00 -1.07 0.00 0.00 68.15 71.21 1pa4 h THR 20 CO -0.44 0.78 0.00 0.52 -0.01 0.00 0.00 175.52 176.37 1pa4 n VAL 21 N -3.69 0.31 -0.12 0.00 0.31 0.20 -2.01 118.33 113.33 1pa4 n VAL 21 Ca -0.08 0.08 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1pa4 n VAL 21 Cb 0.91 -0.78 -0.06 0.00 -0.91 0.00 0.00 33.84 32.99 1pa4 n VAL 21 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1pa4 h ILE 22 N 0.00 0.08 0.00 2.52 2.04 -0.52 -3.38 117.51 118.25 1pa4 h ILE 22 Ca 0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1pa4 h ILE 22 Cb 0.11 0.08 -0.13 0.00 -0.74 0.00 0.00 36.82 36.13 1pa4 h ILE 22 CO 0.00 0.00 -0.27 1.57 0.00 0.00 0.00 178.15 179.45 1pa4 n HIS 23 N -5.41 -0.77 -2.32 1.37 -0.00 -1.23 -4.73 115.22 102.13 1pa4 n HIS 23 Ca -0.02 -0.93 -0.13 0.00 -0.00 0.00 0.00 57.72 56.64 1pa4 n HIS 23 Cb 0.35 0.89 0.04 0.00 -0.00 0.00 0.00 29.99 31.27 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 -0.58 2.73 -3.11 1.57 4.07 -0.85 -4.83 120.64 119.64 1pa4 n GLU 24 Ca -0.23 -3.83 -0.18 0.00 -0.06 0.00 0.00 57.16 52.86 1pa4 n GLU 24 Cb 0.75 -1.94 -0.02 0.00 -0.06 0.00 0.00 31.44 30.17 1pa4 n GLU 24 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1pa4 n ILE 25 N -0.65 -0.25 0.00 6.31 2.08 -1.26 -4.79 119.36 120.79 1pa4 n ILE 25 Ca 0.28 -3.94 0.00 0.00 0.56 0.00 0.00 62.75 59.65 1pa4 n ILE 25 Cb 0.90 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 39.48 1pa4 n ILE 25 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pa4 n TYR 26 N 0.59 0.00 -2.68 1.39 9.36 -1.26 -2.84 117.16 121.71 1pa4 n TYR 26 Ca 0.21 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.38 1pa4 n TYR 26 Cb 0.64 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 39.45 1pa4 n TYR 26 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1pa4 n ASN 27 N 1.61 -1.57 -4.15 2.98 3.02 -1.26 -4.99 115.26 110.91 1pa4 n ASN 27 Ca 0.00 -2.39 -0.36 0.00 -0.03 0.00 0.00 54.58 51.80 1pa4 n ASN 27 Cb 0.00 1.36 -0.05 0.00 -0.61 0.00 0.00 39.78 40.48 1pa4 n ASN 27 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1pa4 n GLU 28 N 0.52 -0.66 -0.07 3.52 0.28 -1.13 -4.86 120.64 118.24 1pa4 n GLU 28 Ca -0.02 0.06 -0.07 0.00 -0.16 0.00 0.00 57.16 56.96 1pa4 n GLU 28 Cb 0.74 -2.89 -0.04 0.00 1.43 0.00 0.00 31.44 30.68 1pa4 n GLU 28 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1pa4 h THR 29 N -1.90 0.33 0.00 3.84 2.02 -1.89 -3.33 112.91 111.98 1pa4 h THR 29 Ca -0.64 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1pa4 h THR 29 Cb 1.31 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1pa4 h THR 29 CO 0.59 0.11 0.00 1.33 0.37 0.00 0.00 175.52 177.92 1pa4 n VAL 30 N -4.62 1.42 0.16 3.16 0.24 -1.26 -1.92 118.33 115.50 1pa4 n VAL 30 Ca -0.10 0.56 0.17 0.00 -2.04 0.00 0.00 64.34 62.94 1pa4 n VAL 30 Cb 0.29 -1.54 0.63 0.00 -1.47 0.00 0.00 33.84 31.76 1pa4 n VAL 30 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1pa4 h LYS 31 N 0.00 0.00 0.00 7.34 3.64 -1.88 1.85 116.57 127.52 1pa4 h LYS 31 Ca 0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1pa4 h LYS 31 Cb 0.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1pa4 h LYS 31 CO 0.00 0.00 -1.51 -2.37 -2.27 0.00 0.00 179.45 173.30 1pa4 n THR 32 N -3.21 1.13 0.00 1.00 5.66 -0.81 -4.66 114.28 113.39 1pa4 n THR 32 Ca 0.06 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 1pa4 n THR 32 Cb 0.72 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 1pa4 n THR 32 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pa4 n GLY 33 N 1.41 0.00 1.06 1.09 0.00 0.63 -3.81 105.19 105.58 1pa4 n GLY 33 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1pa4 n GLY 33 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1pa4 n HIS 34 N 0.00 0.00 0.06 1.61 -0.00 -1.26 0.19 115.22 115.83 1pa4 n HIS 34 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1pa4 n HIS 34 Cb 0.00 -1.71 -0.08 0.00 -0.12 0.00 0.00 29.99 28.08 1pa4 n HIS 34 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1pa4 h VAL 35 N 0.00 1.02 0.00 3.57 2.07 -1.92 -1.66 116.25 119.33 1pa4 h VAL 35 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1pa4 h VAL 35 Cb 0.00 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1pa4 h VAL 35 CO 0.00 0.09 0.00 0.35 0.02 0.00 0.00 177.57 178.03 1pa4 n THR 36 N -5.06 0.00 0.00 2.57 -2.24 -1.26 -4.36 114.28 103.92 1pa4 n THR 36 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1pa4 n THR 36 Cb 0.13 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1pa4 n THR 36 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1pa4 n HIS 37 N -2.22 0.00 -1.24 4.78 -0.00 -1.26 -5.09 115.22 110.19 1pa4 n HIS 37 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1pa4 n HIS 37 Cb 0.36 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 1pa4 n HIS 37 CO 0.00 0.00 0.00 1.55 0.46 0.00 0.00 176.34 178.35 1pa4 n VAL 38 N -0.80 -4.29 -3.88 3.57 3.14 -1.25 -4.98 118.33 109.84 1pa4 n VAL 38 Ca 0.00 1.83 -0.28 0.00 -2.96 0.00 0.00 64.34 62.93 1pa4 n VAL 38 Cb 0.00 -2.58 -0.16 0.00 -1.06 0.00 0.00 33.84 30.04 1pa4 n VAL 38 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1pa4 s LYS 39 N -3.77 1.35 -0.58 1.45 2.36 0.78 -4.95 119.74 116.38 1pa4 s LYS 39 Ca 0.00 -0.57 -0.25 0.00 -2.55 0.00 0.00 55.97 52.60 1pa4 s LYS 39 Cb 0.00 -2.10 0.04 0.00 -1.05 0.00 0.00 37.83 34.72 1pa4 s LYS 39 CO 0.00 -0.48 0.99 -0.51 1.55 0.00 0.00 175.35 176.90 1pa4 s LEU 40 N 1.63 4.01 -0.29 5.43 2.01 -1.26 -1.20 118.68 129.00 1pa4 s LEU 40 Ca -0.01 -0.39 -0.23 0.00 0.01 0.00 0.00 54.13 53.52 1pa4 s LEU 40 Cb -0.16 -2.80 -0.00 0.00 0.01 0.00 0.00 46.19 43.24 1pa4 s LEU 40 CO -0.07 -1.32 0.76 -0.44 1.01 0.00 0.00 176.35 176.29 1pa4 s SER 41 N 3.01 6.65 0.00 2.29 0.01 0.88 -4.45 113.70 122.09 1pa4 s SER 41 Ca 0.31 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1pa4 s SER 41 Cb -0.12 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1pa4 s SER 41 CO 0.19 -0.56 0.00 -0.67 0.41 0.00 0.00 173.24 172.60 1pa4 n ASP 42 N 6.10 0.00 0.00 2.44 2.03 -1.26 -2.92 116.55 122.93 1pa4 n ASP 42 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1pa4 n ASP 42 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 1pa4 n ASP 42 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1pa4 n ASP 43 N 4.00 0.00 -0.80 1.67 9.92 -1.26 -4.97 116.55 125.11 1pa4 n ASP 43 Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.22 1pa4 n ASP 43 Cb 0.00 0.22 -0.04 0.00 -0.64 0.00 0.00 41.12 40.66 1pa4 n ASP 43 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1pa4 n LEU 44 N -2.11 -0.63 -0.10 0.64 -0.00 -1.25 -4.95 117.00 108.60 1pa4 n LEU 44 Ca 0.00 -1.47 -0.18 0.00 -0.00 0.00 0.00 56.01 54.36 1pa4 n LEU 44 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1pa4 n LEU 44 CO 0.00 1.23 -0.45 -0.07 -0.00 0.00 0.00 177.39 178.11 1pa4 h LEU 45 N 0.00 0.00 -8.06 1.47 3.38 -1.91 -3.43 115.31 106.76 1pa4 h LEU 45 Ca -0.36 -0.41 -0.67 0.00 0.09 0.00 0.00 57.88 56.53 1pa4 h LEU 45 Cb 1.16 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.56 1pa4 h LEU 45 CO -0.18 1.31 -0.86 -1.00 0.09 0.00 0.00 178.44 177.79 1pa4 s HIS 46 N -2.32 2.75 -0.60 1.13 3.76 -1.15 -3.19 115.29 115.68 1pa4 s HIS 46 Ca -0.25 -1.62 -0.05 0.00 -0.15 0.00 0.00 55.06 52.99 1pa4 s HIS 46 Cb 0.05 -1.90 0.15 0.00 1.11 0.00 0.00 32.58 31.99 1pa4 s HIS 46 CO 0.51 -0.80 0.43 0.08 -0.85 0.00 0.00 174.74 174.11 1pa4 s VAL 47 N 1.28 3.88 -0.84 -0.90 1.01 -1.17 -0.08 120.40 123.57 1pa4 s VAL 47 Ca 0.04 -2.66 -0.25 0.00 0.00 0.00 0.00 61.98 59.11 1pa4 s VAL 47 Cb -0.13 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1pa4 s VAL 47 CO -0.12 -0.85 1.34 -0.89 0.00 0.00 0.00 175.10 174.57 1pa4 s THR 48 N 0.29 3.80 -0.24 3.92 2.01 -0.34 -0.35 115.64 124.72 1pa4 s THR 48 Ca 0.15 -0.03 -0.14 0.00 0.31 0.00 0.00 61.69 61.97 1pa4 s THR 48 Cb -0.20 -4.97 -0.04 0.00 0.01 0.00 0.00 72.50 67.30 1pa4 s THR 48 CO -0.04 -1.89 0.34 0.68 -0.69 0.00 0.00 174.62 173.03 1pa4 s VAL 49 N 5.44 5.22 -1.10 3.82 -7.23 0.27 -0.16 120.40 126.66 1pa4 s VAL 49 Ca 0.39 0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 61.06 1pa4 s VAL 49 Cb -0.05 -3.67 0.29 0.00 0.56 0.00 0.00 36.38 33.50 1pa4 s VAL 49 CO 0.06 0.22 1.71 -1.22 -0.31 0.00 0.00 175.10 175.56 1pa4 n TYR 50 N 4.90 2.50 -1.33 2.82 4.02 -1.26 -0.52 117.16 128.29 1pa4 n TYR 50 Ca -0.10 -2.60 -0.44 0.00 -0.01 0.00 0.00 57.90 54.76 1pa4 n TYR 50 Cb 0.51 -1.34 -0.01 0.00 -0.02 0.00 0.00 39.34 38.48 1pa4 n TYR 50 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1pa4 n LEU 51 N 1.11 -2.40 0.00 7.72 4.77 -1.25 -4.57 117.00 122.38 1pa4 n LEU 51 Ca 0.37 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 1pa4 n LEU 51 Cb 0.30 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1pa4 n LEU 51 CO 0.66 -3.84 0.14 -0.67 -1.33 0.00 0.00 177.39 172.35 1pa4 n ASP 52 N 2.24 0.00 0.00 -1.43 -0.08 -0.62 -4.90 116.55 111.76 1pa4 n ASP 52 Ca 0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.41 1pa4 n ASP 52 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 1pa4 n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pa4 h TYR 54 N 0.00 -0.50 0.00 0.00 3.20 -1.78 -3.43 116.97 114.45 1pa4 h TYR 54 Ca 0.00 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 1pa4 h TYR 54 Cb 0.00 0.17 -0.12 0.00 1.54 0.00 0.00 36.73 38.32 1pa4 h TYR 54 CO 0.00 -0.31 -0.24 0.09 -1.64 0.00 0.00 178.16 176.06 1pa4 n ASN 55 N -4.91 -1.04 0.00 -2.11 4.13 -1.13 -4.94 115.26 105.25 1pa4 n ASN 55 Ca -0.07 -1.86 0.00 0.00 1.68 0.00 0.00 54.58 54.33 1pa4 n ASN 55 Cb 0.21 0.42 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 1pa4 n ASN 55 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1pa4 n ARG 56 N -0.65 0.00 0.10 3.52 3.00 -1.23 -4.79 116.66 116.61 1pa4 n ARG 56 Ca -0.20 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 57.78 1pa4 n ARG 56 Cb 0.72 -1.30 0.34 0.00 0.00 0.00 0.00 32.46 32.22 1pa4 n ARG 56 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1pa4 n GLU 57 N -2.00 0.28 0.00 -0.14 1.02 -1.26 -3.37 120.64 115.17 1pa4 n GLU 57 Ca 0.00 0.19 0.03 0.00 -0.02 0.00 0.00 57.16 57.36 1pa4 n GLU 57 Cb 0.00 -1.78 -0.01 0.00 -0.02 0.00 0.00 31.44 29.63 1pa4 n GLU 57 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1pa4 n GLN 58 N -2.24 3.17 -0.07 3.49 7.27 -1.26 -4.64 117.38 123.09 1pa4 n GLN 58 Ca 0.05 -0.33 -0.07 0.00 0.07 0.00 0.00 57.00 56.72 1pa4 n GLN 58 Cb 0.44 -0.91 -0.01 0.00 2.41 0.00 0.00 30.24 32.16 1pa4 n GLN 58 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 1pa4 h ILE 59 N 0.49 0.43 -1.10 1.69 6.09 -1.90 0.25 117.51 123.46 1pa4 h ILE 59 Ca 0.00 0.00 0.44 0.00 -1.37 0.00 0.00 64.86 63.93 1pa4 h ILE 59 Cb 0.20 0.43 -0.17 0.00 0.47 0.00 0.00 36.82 37.75 1pa4 h ILE 59 CO 0.00 0.00 0.63 -0.78 -3.07 0.00 0.00 178.15 174.93 1pa4 h ASP 60 N -0.18 0.29 0.02 2.19 3.58 -1.82 2.06 116.42 122.55 1pa4 h ASP 60 Ca 0.16 0.23 -0.07 0.00 0.42 0.00 0.00 57.03 57.77 1pa4 h ASP 60 Cb 0.42 0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.72 1pa4 h ASP 60 CO -0.41 -0.39 -0.27 0.03 -2.88 0.00 0.00 179.24 175.32 1pa4 h ARG 61 N 0.00 0.16 0.36 0.28 2.47 -0.93 -2.37 114.38 114.35 1pa4 h ARG 61 Ca 0.86 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 59.37 1pa4 h ARG 61 Cb 2.40 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 30.79 1pa4 h ARG 61 CO -0.69 0.97 -0.17 0.28 0.56 0.00 0.00 179.97 180.91 1pa4 h VAL 62 N -0.57 0.00 -0.99 2.04 2.07 0.28 -0.19 116.25 118.89 1pa4 h VAL 62 Ca -0.04 -0.10 0.31 0.00 0.82 0.00 0.00 66.70 67.69 1pa4 h VAL 62 Cb 1.07 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.69 1pa4 h VAL 62 CO 0.05 0.00 0.53 0.58 0.02 0.00 0.00 177.57 178.75 1pa4 h VAL 63 N -0.58 0.30 -0.51 2.57 2.07 0.26 1.67 116.25 122.03 1pa4 h VAL 63 Ca -0.05 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1pa4 h VAL 63 Cb 0.37 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1pa4 h VAL 63 CO 0.08 0.06 0.10 1.23 0.02 0.00 0.00 177.57 179.06 1pa4 h GLY 64 N 0.31 0.85 1.11 2.17 0.00 -1.27 -2.06 103.07 104.17 1pa4 h GLY 64 Ca 0.71 -0.50 -0.26 0.00 0.00 0.00 0.00 47.33 47.29 1pa4 h GLY 64 CO -0.61 0.47 -1.04 0.00 0.00 0.00 0.00 176.54 175.36 1pa4 h ALA 65 N 1.35 0.04 -0.32 3.60 0.00 0.39 -3.17 119.26 121.17 1pa4 h ALA 65 Ca 0.17 -0.71 0.09 0.00 0.00 0.00 0.00 54.91 54.46 1pa4 h ALA 65 Cb 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pa4 h ALA 65 CO 0.00 0.60 0.26 0.74 0.00 0.00 0.00 179.25 180.86 1pa4 h PHE 66 N 0.21 0.00 0.43 0.00 0.04 0.10 0.37 116.94 118.08 1pa4 h PHE 66 Ca -0.15 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.61 1pa4 h PHE 66 Cb 1.72 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.86 1pa4 h PHE 66 CO 0.12 0.00 -0.30 -0.97 -0.60 0.00 0.00 178.31 176.56 1pa4 h ASN 67 N 0.00 -0.78 0.28 2.17 -0.73 -1.34 -1.51 115.58 113.66 1pa4 h ASN 67 Ca 0.15 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.37 1pa4 h ASN 67 Cb 0.68 0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.51 1pa4 h ASN 67 CO -0.00 -0.44 0.00 0.00 -0.37 0.00 0.00 177.43 176.62 1pa4 n GLN 68 N -4.22 0.39 0.14 6.67 10.64 -0.93 -2.17 117.38 127.90 1pa4 n GLN 68 Ca -0.08 0.07 0.02 0.00 -1.83 0.00 0.00 57.00 55.18 1pa4 n GLN 68 Cb 0.30 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.24 1pa4 n GLN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pa4 h ALA 69 N 3.06 0.69 -0.35 2.61 0.00 0.04 -3.34 119.26 121.96 1pa4 h ALA 69 Ca 0.00 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1pa4 h ALA 69 Cb 0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1pa4 h ALA 69 CO 0.00 0.66 -0.19 1.17 0.00 0.00 0.00 179.25 180.90 1pa4 n LYS 70 N -3.28 -0.13 -0.16 0.00 3.00 -0.77 0.11 118.16 116.92 1pa4 n LYS 70 Ca 0.01 0.54 -0.04 0.00 -0.00 0.00 0.00 58.31 58.82 1pa4 n LYS 70 Cb 0.72 -0.80 -0.04 0.00 0.00 0.00 0.00 35.03 34.91 1pa4 n LYS 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pa4 n GLY 71 N -1.12 -1.56 0.21 3.14 0.00 -1.26 0.12 105.19 104.73 1pa4 n GLY 71 Ca 0.02 0.56 -0.16 0.00 0.00 0.00 0.00 46.02 46.44 1pa4 n GLY 71 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1pa4 h VAL 72 N 0.00 1.30 -0.01 1.61 -1.51 0.47 0.17 116.25 118.27 1pa4 h VAL 72 Ca 0.06 -2.03 -0.01 0.00 -1.23 0.00 0.00 66.70 63.50 1pa4 h VAL 72 Cb 0.16 2.03 -0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1pa4 h VAL 72 CO -0.36 0.64 0.01 0.49 -1.23 0.00 0.00 177.57 177.11 1pa4 n PHE 73 N -3.91 0.04 0.00 5.19 3.72 0.31 -2.64 117.46 120.17 1pa4 n PHE 73 Ca -0.07 -0.91 0.00 0.00 -0.05 0.00 0.00 57.45 56.42 1pa4 n PHE 73 Cb 0.75 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1pa4 n PHE 73 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pa4 n SER 74 N 1.25 0.00 0.17 4.37 3.41 0.15 -1.98 113.62 120.99 1pa4 n SER 74 Ca 0.01 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.65 1pa4 n SER 74 Cb 0.50 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.72 1pa4 n SER 74 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1pa4 h ARG 75 N 0.00 0.00 0.09 4.33 2.43 -0.67 -2.33 114.38 118.23 1pa4 h ARG 75 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pa4 h ARG 75 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1pa4 h ARG 75 CO 0.00 0.46 -0.05 0.28 -1.51 0.00 0.00 179.97 179.15 1pa4 h VAL 76 N 0.00 0.00 -0.77 0.20 2.07 -1.71 -2.62 116.25 113.42 1pa4 h VAL 76 Ca -0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1pa4 h VAL 76 Cb 1.00 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 1pa4 h VAL 76 CO 0.06 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.09 1pa4 h LEU 77 N -0.13 0.48 -0.86 2.57 4.07 -1.84 -0.46 115.31 119.14 1pa4 h LEU 77 Ca -0.01 0.02 0.22 0.00 0.08 0.00 0.00 57.88 58.19 1pa4 h LEU 77 Cb 0.10 -0.07 -0.15 0.00 1.08 0.00 0.00 40.66 41.62 1pa4 h LEU 77 CO 0.02 0.26 0.07 0.00 -1.08 0.00 0.00 178.44 177.71 1pa4 h ALA 78 N 1.63 1.03 -1.77 1.53 0.00 -1.13 1.33 119.26 121.89 1pa4 h ALA 78 Ca 0.37 0.27 0.51 0.00 0.00 0.00 0.00 54.91 56.06 1pa4 h ALA 78 Cb 0.71 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1pa4 h ALA 78 CO -0.13 -0.48 1.37 0.45 0.00 0.00 0.00 179.25 180.46 1pa4 h HIS 79 N 0.10 0.00 0.00 0.00 3.86 -0.72 -1.54 115.15 116.86 1pa4 h HIS 79 Ca 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 1pa4 h HIS 79 Cb 0.98 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1pa4 h HIS 79 CO -0.41 0.00 -0.05 0.09 0.86 0.00 0.00 177.93 178.42 1pa4 n ASN 80 N -3.80 0.16 -2.94 2.45 3.02 0.45 -5.01 115.26 109.60 1pa4 n ASN 80 Ca 0.40 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1pa4 n ASN 80 Cb 1.90 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 40.54 1pa4 n ASN 80 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1pa4 n LEU 81 N -2.51 0.00 0.00 3.41 7.94 -0.58 -5.10 117.00 120.16 1pa4 n LEU 81 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1pa4 n LEU 81 Cb 0.03 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1pa4 n LEU 81 CO 0.01 0.00 0.00 -1.22 -1.11 0.00 0.00 177.39 175.07 1pa4 n TYR 82 N 0.00 -1.74 0.00 1.96 4.01 -1.26 -4.72 117.16 115.41 1pa4 n TYR 82 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1pa4 n TYR 82 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1pa4 n TYR 82 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 1pa4 n LEU 83 N 0.00 0.00 -0.25 7.72 -0.00 -1.26 -4.38 117.00 118.83 1pa4 n LEU 83 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 1pa4 n LEU 83 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1pa4 n LEU 83 CO 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 177.39 177.79 1pa4 n ALA 84 N -3.00 -0.38 0.00 1.47 0.00 -1.26 -3.23 120.51 114.11 1pa4 n ALA 84 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1pa4 n ALA 84 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1pa4 n ALA 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pa4 n LYS 85 N -4.41 0.00 0.00 0.00 4.01 -1.26 -4.42 118.16 112.08 1pa4 n LYS 85 Ca 0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1pa4 n LYS 85 Cb 0.15 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.67 1pa4 n LYS 85 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1pa4 n ALA 86 N 0.00 0.00 -1.38 7.82 0.00 -1.20 -5.06 120.51 120.70 1pa4 n ALA 86 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pa4 n ALA 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pa4 n ALA 86 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1pa4 n VAL 87 N 0.00 -0.67 -3.47 0.00 3.14 -1.23 -4.92 118.33 111.17 1pa4 n VAL 87 Ca 0.00 0.14 -0.15 0.00 -2.96 0.00 0.00 64.34 61.38 1pa4 n VAL 87 Cb 0.00 -0.95 -0.04 0.00 -1.06 0.00 0.00 33.84 31.80 1pa4 n VAL 87 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1pa4 s GLN 88 N -0.35 1.17 -0.22 1.45 0.74 -1.19 -4.32 119.66 116.93 1pa4 s GLN 88 Ca 0.01 -0.15 -0.21 0.00 0.05 0.00 0.00 55.36 55.07 1pa4 s GLN 88 Cb -0.00 0.54 -0.02 0.00 1.10 0.00 0.00 33.01 34.63 1pa4 s GLN 88 CO 0.03 -0.45 0.64 0.42 -0.55 0.00 0.00 175.29 175.37 1pa4 s ILE 89 N -2.59 5.00 -0.11 -2.34 1.01 -0.84 -3.06 121.20 118.27 1pa4 s ILE 89 Ca -0.04 1.18 -0.04 0.00 0.00 0.00 0.00 60.65 61.74 1pa4 s ILE 89 Cb -0.01 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 1pa4 s ILE 89 CO -0.03 0.07 0.05 -2.28 0.00 0.00 0.00 174.94 172.75 1pa4 s HIS 90 N 2.19 3.31 0.32 3.97 2.46 0.52 -4.94 115.29 123.12 1pa4 s HIS 90 Ca 0.28 0.27 -0.14 0.00 0.47 0.00 0.00 55.06 55.94 1pa4 s HIS 90 Cb -0.16 -1.88 -0.08 0.00 -0.13 0.00 0.00 32.58 30.33 1pa4 s HIS 90 CO 0.09 0.50 0.72 -0.59 -2.47 0.00 0.00 174.74 172.99 1pa4 s PHE 91 N -0.72 3.39 -0.07 3.88 -0.12 -1.26 -0.56 117.98 122.52 1pa4 s PHE 91 Ca 0.12 1.15 -0.03 0.00 -0.05 0.00 0.00 56.93 58.12 1pa4 s PHE 91 Cb -0.12 -2.49 0.04 0.00 -0.63 0.00 0.00 43.02 39.83 1pa4 s PHE 91 CO 0.02 0.09 0.15 0.08 -0.05 0.00 0.00 175.22 175.51 1pa4 s VAL 92 N -2.02 -0.10 0.00 -2.49 1.01 0.32 -4.82 120.40 112.30 1pa4 s VAL 92 Ca 0.53 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1pa4 s VAL 92 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.02 1pa4 s VAL 92 CO 0.20 0.09 0.00 0.29 0.00 0.00 0.00 175.10 175.68 1pa4 n LYS 93 N 4.50 0.00 -1.27 2.72 4.76 -1.26 -3.75 118.16 123.85 1pa4 n LYS 93 Ca -0.21 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.21 1pa4 n LYS 93 Cb 0.51 -0.84 0.01 0.00 -1.84 0.00 0.00 35.03 32.87 1pa4 n LYS 93 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1pa4 n ASP 94 N -2.53 -0.48 0.00 4.39 -0.08 -1.26 -4.92 116.55 111.66 1pa4 n ASP 94 Ca 0.00 -1.11 0.00 0.00 -1.51 0.00 0.00 54.79 52.17 1pa4 n ASP 94 Cb 0.46 0.19 0.00 0.00 2.34 0.00 0.00 41.12 44.11 1pa4 n ASP 94 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1pa4 n LYS 95 N -0.28 0.00 -4.08 -0.67 4.81 -1.26 -3.95 118.16 112.72 1pa4 n LYS 95 Ca -0.09 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.06 1pa4 n LYS 95 Cb 0.53 -2.12 -0.04 0.00 0.02 0.00 0.00 35.03 33.43 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 0.38 -1.85 -3.81 3.14 0.00 -1.26 0.42 120.51 117.52 1pa4 n ALA 96 Ca 0.00 -0.24 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 1pa4 n ALA 96 Cb 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 1pa4 n ALA 96 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1pa4 n ILE 97 N -4.43 -0.03 -4.04 0.00 -6.64 -1.25 0.76 119.36 103.73 1pa4 n ILE 97 Ca -0.23 -0.01 -0.43 0.00 -1.77 0.00 0.00 62.75 60.30 1pa4 n ILE 97 Cb 0.65 -0.39 0.02 0.00 -1.44 0.00 0.00 39.64 38.47 1pa4 n ILE 97 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1pa4 n ASP 98 N -1.69 -4.06 0.00 7.28 -0.08 0.17 -4.45 116.55 113.71 1pa4 n ASP 98 Ca 0.08 -1.24 0.00 0.00 -1.51 0.00 0.00 54.79 52.12 1pa4 n ASP 98 Cb 0.35 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.27 1pa4 n ASP 98 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1pa4 n ASN 99 N -2.10 0.00 0.00 1.67 5.15 0.23 -5.16 115.26 115.05 1pa4 n ASN 99 Ca -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.84 1pa4 n ASN 99 Cb 0.56 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1pa4 n ASN 99 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pa4 n ALA 100 N 0.00 0.00 1.29 5.20 0.00 -1.06 -4.97 120.51 120.96 1pa4 n ALA 100 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1pa4 n ALA 100 Cb 0.00 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.06 1pa4 n ALA 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38