#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 0.68 0.00 1.64 1.02 -1.26 -4.90 120.64 117.81 1pa4 n GLU 7 Ca 0.00 -1.33 0.00 0.00 -0.02 0.00 0.00 57.16 55.81 1pa4 n GLU 7 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 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 -0.11 0.00 -0.33 3.49 1.74 -1.26 -0.66 116.66 119.53 1pa4 n ARG 8 Ca -0.08 0.00 0.23 0.00 -0.77 0.00 0.00 57.85 57.24 1pa4 n ARG 8 Cb 0.74 0.00 0.46 0.00 -1.02 0.00 0.00 32.46 32.65 1pa4 n ARG 8 CO 0.00 0.00 0.00 1.37 -1.52 0.00 0.00 177.63 177.48 1pa4 h LEU 9 N 0.00 0.42 0.00 0.55 -0.00 -2.01 -1.68 115.31 112.59 1pa4 h LEU 9 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1pa4 h LEU 9 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1pa4 h LEU 9 CO 0.00 -0.17 0.00 1.21 -0.00 0.00 0.00 178.44 179.48 1pa4 n GLU 10 N -5.10 0.00 -0.41 0.17 4.07 0.17 0.92 120.64 120.45 1pa4 n GLU 10 Ca 0.31 0.79 0.38 0.00 -0.06 0.00 0.00 57.16 58.57 1pa4 n GLU 10 Cb 0.98 -1.34 0.73 0.00 -0.06 0.00 0.00 31.44 31.75 1pa4 n GLU 10 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1pa4 h ASN 11 N 0.00 0.07 0.02 4.31 -0.73 -0.24 0.86 115.58 119.88 1pa4 h ASN 11 Ca 0.00 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1pa4 h ASN 11 Cb 0.00 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1pa4 h ASN 11 CO 0.00 -0.01 -0.01 -0.78 -0.37 0.00 0.00 177.43 176.26 1pa4 h ASP 12 N 0.05 -0.03 -0.49 1.15 3.58 0.91 0.18 116.42 121.78 1pa4 h ASP 12 Ca 0.67 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.98 1pa4 h ASP 12 Cb 2.52 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 43.55 1pa4 h ASP 12 CO -0.08 0.10 0.24 0.40 -2.88 0.00 0.00 179.24 177.02 1pa4 h ILE 13 N -0.15 1.18 -0.09 2.25 5.03 0.47 0.12 117.51 126.32 1pa4 h ILE 13 Ca -0.00 -0.53 -0.01 0.00 -0.12 0.00 0.00 64.86 64.20 1pa4 h ILE 13 Cb 0.14 0.52 -0.00 0.00 -3.03 0.00 0.00 36.82 34.44 1pa4 h ILE 13 CO 0.01 0.22 0.04 0.40 -0.68 0.00 0.00 178.15 178.13 1pa4 h ILE 14 N 0.75 1.15 0.00 -0.67 5.03 -0.58 -1.75 117.51 121.44 1pa4 h ILE 14 Ca 0.18 -0.45 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 1pa4 h ILE 14 Cb 0.10 1.28 0.00 0.00 -3.03 0.00 0.00 36.82 35.16 1pa4 h ILE 14 CO -0.02 0.13 0.00 -0.09 -0.68 0.00 0.00 178.15 177.49 1pa4 h ARG 15 N -0.01 0.00 0.09 2.37 2.43 -0.08 -2.47 114.38 116.71 1pa4 h ARG 15 Ca 0.03 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1pa4 h ARG 15 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1pa4 h ARG 15 CO -0.00 0.00 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.34 1pa4 h LEU 16 N 0.00 -0.11 -2.11 3.80 -0.00 0.13 0.22 115.31 117.24 1pa4 h LEU 16 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 1pa4 h LEU 16 Cb 0.38 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.06 1pa4 h LEU 16 CO 0.00 -0.05 0.28 0.40 -0.00 0.00 0.00 178.44 179.07 1pa4 h ILE 17 N -0.17 0.54 0.19 1.22 1.08 -1.49 -0.59 117.51 118.29 1pa4 h ILE 17 Ca -0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1pa4 h ILE 17 Cb 0.10 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1pa4 h ILE 17 CO 0.02 0.00 -0.09 -1.13 -0.69 0.00 0.00 178.15 176.26 1pa4 h ASN 18 N 0.00 -0.21 -0.11 1.72 -1.24 -1.35 -1.64 115.58 112.74 1pa4 h ASN 18 Ca 0.14 -0.27 0.03 0.00 0.71 0.00 0.00 56.30 56.91 1pa4 h ASN 18 Cb 0.70 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.80 1pa4 h ASN 18 CO -0.00 0.19 0.27 0.03 -1.29 0.00 0.00 177.43 176.63 1pa4 h ARG 19 N -0.66 0.00 0.00 6.67 2.47 0.10 -2.43 114.38 120.53 1pa4 h ARG 19 Ca -0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1pa4 h ARG 19 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1pa4 h ARG 19 CO 0.04 0.00 -0.00 1.15 0.56 0.00 0.00 179.97 181.72 1pa4 h THR 20 N 0.00 0.00 -0.68 2.04 2.02 -1.07 -3.35 112.91 111.88 1pa4 h THR 20 Ca 0.05 -0.01 0.14 0.00 0.77 0.00 0.00 66.41 67.36 1pa4 h THR 20 Cb 0.60 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.88 1pa4 h THR 20 CO -0.00 0.00 -0.15 0.52 0.37 0.00 0.00 175.52 176.26 1pa4 n VAL 21 N -2.03 -0.28 -1.50 3.16 0.31 -0.65 -2.66 118.33 114.68 1pa4 n VAL 21 Ca -0.00 1.54 -0.45 0.00 -0.01 0.00 0.00 64.34 65.42 1pa4 n VAL 21 Cb 0.00 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 30.72 1pa4 n VAL 21 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1pa4 n ILE 22 N -5.08 0.15 0.00 2.52 -6.64 -0.94 0.22 119.36 109.59 1pa4 n ILE 22 Ca 0.11 -0.39 0.00 0.00 -1.77 0.00 0.00 62.75 60.71 1pa4 n ILE 22 Cb 0.36 -1.97 0.00 0.00 -1.44 0.00 0.00 39.64 36.59 1pa4 n ILE 22 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 1pa4 n HIS 23 N 11.52 0.00 -4.22 4.28 -0.00 -1.25 -4.97 115.22 120.58 1pa4 n HIS 23 Ca 0.40 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.84 1pa4 n HIS 23 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.27 1pa4 n HIS 23 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1pa4 s GLU 24 N -0.59 2.23 -0.10 1.57 8.01 0.59 -4.95 118.70 125.46 1pa4 s GLU 24 Ca 0.00 -2.14 -0.02 0.00 0.01 0.00 0.00 54.97 52.82 1pa4 s GLU 24 Cb 0.00 -1.88 0.00 0.00 -4.31 0.00 0.00 34.13 27.94 1pa4 s GLU 24 CO 0.00 -0.48 0.08 -0.89 0.01 0.00 0.00 175.26 173.98 1pa4 n ILE 25 N -1.54 -4.67 -1.44 -1.63 2.08 -1.26 -4.64 119.36 106.26 1pa4 n ILE 25 Ca -0.08 0.39 -0.56 0.00 0.56 0.00 0.00 62.75 63.06 1pa4 n ILE 25 Cb 0.65 -4.87 -0.08 0.00 -0.75 0.00 0.00 39.64 34.59 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 -0.11 1.33 -2.55 1.39 9.36 -1.26 -3.27 117.16 122.04 1pa4 n TYR 26 Ca 0.02 0.96 -0.03 0.00 3.32 0.00 0.00 57.90 62.16 1pa4 n TYR 26 Cb 0.06 -1.86 -0.02 0.00 -0.63 0.00 0.00 39.34 36.89 1pa4 n TYR 26 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1pa4 n ASN 27 N 3.03 -3.83 -3.68 2.98 5.15 -1.26 -4.71 115.26 112.94 1pa4 n ASN 27 Ca 0.25 1.28 -0.52 0.00 -0.60 0.00 0.00 54.58 54.98 1pa4 n ASN 27 Cb -0.03 -4.95 -0.08 0.00 -0.53 0.00 0.00 39.78 34.19 1pa4 n ASN 27 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1pa4 n GLU 28 N 1.12 0.00 0.01 1.20 2.13 -1.20 -4.73 120.64 119.17 1pa4 n GLU 28 Ca -0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.61 1pa4 n GLU 28 Cb 0.32 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.85 1pa4 n GLU 28 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1pa4 n THR 29 N 2.78 0.00 0.18 6.31 -1.04 -1.26 -4.85 114.28 116.39 1pa4 n THR 29 Ca 0.23 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.36 1pa4 n THR 29 Cb -0.03 -0.01 0.64 0.00 -1.82 0.00 0.00 70.33 69.12 1pa4 n THR 29 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1pa4 h VAL 30 N 0.00 0.00 0.00 12.58 -1.51 -1.84 -1.47 116.25 124.01 1pa4 h VAL 30 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1pa4 h VAL 30 Cb 0.00 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1pa4 h VAL 30 CO 0.00 0.00 0.43 0.50 -1.23 0.00 0.00 177.57 177.27 1pa4 h LYS 31 N 0.00 0.00 0.00 5.19 3.11 -1.94 0.11 116.57 123.05 1pa4 h LYS 31 Ca 0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1pa4 h LYS 31 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1pa4 h LYS 31 CO 0.00 0.00 -0.26 0.00 -2.81 0.00 0.00 179.45 176.38 1pa4 h THR 32 N 0.00 1.25 -3.76 1.00 1.03 -1.66 -3.46 112.91 107.31 1pa4 h THR 32 Ca 0.00 -2.03 -0.56 0.00 -0.01 0.00 0.00 66.41 63.81 1pa4 h THR 32 Cb 0.85 2.45 0.15 0.00 -1.07 0.00 0.00 68.15 70.53 1pa4 h THR 32 CO 0.00 0.42 0.37 0.61 -0.01 0.00 0.00 175.52 176.91 1pa4 n GLY 33 N 1.61 0.24 0.09 2.99 0.00 0.40 -4.92 105.19 105.60 1pa4 n GLY 33 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1pa4 n GLY 33 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1pa4 n HIS 34 N -1.32 0.00 0.00 1.61 1.44 -1.26 -4.99 115.22 110.70 1pa4 n HIS 34 Ca 0.12 -0.05 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1pa4 n HIS 34 Cb 0.45 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.55 1pa4 n HIS 34 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 1pa4 n VAL 35 N -0.06 0.00 -1.70 0.61 0.31 -1.26 -4.40 118.33 111.83 1pa4 n VAL 35 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.22 1pa4 n VAL 35 Cb 0.52 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.42 1pa4 n VAL 35 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1pa4 n THR 36 N 0.00 -0.23 0.00 2.52 5.66 -1.26 -3.84 114.28 117.13 1pa4 n THR 36 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1pa4 n THR 36 Cb 0.00 -1.55 0.00 0.00 -1.55 0.00 0.00 70.33 67.23 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 -3.22 0.00 -1.81 1.09 8.25 -1.26 -5.02 115.22 113.24 1pa4 n HIS 37 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1pa4 n HIS 37 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1pa4 n HIS 37 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pa4 n VAL 38 N -0.48 -6.84 -4.51 1.59 0.31 -1.20 -4.98 118.33 102.22 1pa4 n VAL 38 Ca 0.00 2.65 -0.29 0.00 -0.01 0.00 0.00 64.34 66.69 1pa4 n VAL 38 Cb 0.00 -3.70 -0.13 0.00 -0.91 0.00 0.00 33.84 29.10 1pa4 n VAL 38 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pa4 s LYS 39 N -1.97 1.55 -0.50 5.55 2.47 -0.14 -4.90 119.74 121.80 1pa4 s LYS 39 Ca 0.00 -1.27 -0.14 0.00 -1.56 0.00 0.00 55.97 53.00 1pa4 s LYS 39 Cb 0.00 -1.95 0.11 0.00 -1.46 0.00 0.00 37.83 34.53 1pa4 s LYS 39 CO 0.00 0.47 0.43 -0.51 0.16 0.00 0.00 175.35 175.90 1pa4 s LEU 40 N -1.86 5.86 -0.52 5.43 2.01 -1.26 -2.03 118.68 126.31 1pa4 s LEU 40 Ca 0.14 -1.62 -0.24 0.00 0.01 0.00 0.00 54.13 52.42 1pa4 s LEU 40 Cb -0.10 -2.16 0.04 0.00 0.01 0.00 0.00 46.19 43.98 1pa4 s LEU 40 CO 0.05 -0.74 0.89 -0.44 1.01 0.00 0.00 176.35 177.12 1pa4 s SER 41 N 3.03 6.35 0.00 2.29 0.01 -1.01 -4.71 113.70 119.67 1pa4 s SER 41 Ca 0.04 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1pa4 s SER 41 Cb -0.27 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1pa4 s SER 41 CO 0.04 -1.13 0.00 0.47 0.41 0.00 0.00 173.24 173.03 1pa4 n ASP 42 N 7.19 0.00 -3.82 2.44 8.00 -1.26 0.25 116.55 129.35 1pa4 n ASP 42 Ca 0.01 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.26 1pa4 n ASP 42 Cb 0.47 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 1.35 -2.79 -1.95 -2.24 9.92 -1.26 -0.32 116.55 119.25 1pa4 n ASP 43 Ca 0.00 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.44 1pa4 n ASP 43 Cb 0.00 -3.90 0.00 0.00 -0.64 0.00 0.00 41.12 36.58 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 -4.47 0.00 0.09 0.64 -0.00 -0.39 -4.60 117.00 108.26 1pa4 n LEU 44 Ca -0.14 0.34 0.07 0.00 -0.00 0.00 0.00 56.01 56.28 1pa4 n LEU 44 Cb 0.61 -0.78 0.34 0.00 -0.00 0.00 0.00 43.42 43.59 1pa4 n LEU 44 CO 0.72 0.00 0.71 -0.11 -0.00 0.00 0.00 177.39 178.71 1pa4 n LEU 45 N -1.91 0.32 -3.19 1.47 0.00 0.70 -3.94 117.00 110.44 1pa4 n LEU 45 Ca 0.00 0.63 0.01 0.00 0.00 0.00 0.00 56.01 56.66 1pa4 n LEU 45 Cb 0.34 -0.66 -0.01 0.00 0.00 0.00 0.00 43.42 43.10 1pa4 n LEU 45 CO 0.00 -0.69 0.08 -1.00 0.00 0.00 0.00 177.39 175.79 1pa4 s HIS 46 N -3.28 -1.73 -0.62 1.96 3.76 -1.13 -4.34 115.29 109.91 1pa4 s HIS 46 Ca 0.00 0.56 -0.28 0.00 -0.15 0.00 0.00 55.06 55.19 1pa4 s HIS 46 Cb 0.05 0.29 0.03 0.00 1.11 0.00 0.00 32.58 34.05 1pa4 s HIS 46 CO 0.15 -1.13 1.26 0.08 -0.85 0.00 0.00 174.74 174.25 1pa4 s VAL 47 N 2.24 3.89 -0.89 -0.90 1.01 -1.25 -2.40 120.40 122.10 1pa4 s VAL 47 Ca 0.13 0.73 -0.25 0.00 0.00 0.00 0.00 61.98 62.60 1pa4 s VAL 47 Cb -0.07 -4.73 0.03 0.00 0.00 0.00 0.00 36.38 31.61 1pa4 s VAL 47 CO -0.15 -1.46 1.43 -0.89 0.00 0.00 0.00 175.10 174.04 1pa4 s THR 48 N 5.37 3.79 -0.34 3.92 2.01 -0.86 0.67 115.64 130.20 1pa4 s THR 48 Ca 0.42 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.96 1pa4 s THR 48 Cb -0.08 -4.89 0.00 0.00 0.01 0.00 0.00 72.50 67.54 1pa4 s THR 48 CO 0.22 -1.80 0.72 0.68 -0.69 0.00 0.00 174.62 173.75 1pa4 s VAL 49 N 5.77 4.82 -1.10 3.82 -7.23 -0.98 -0.96 120.40 124.54 1pa4 s VAL 49 Ca 0.44 0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 61.45 1pa4 s VAL 49 Cb -0.04 -4.12 0.22 0.00 0.56 0.00 0.00 36.38 33.00 1pa4 s VAL 49 CO 0.02 -0.31 2.14 -1.22 -0.31 0.00 0.00 175.10 175.41 1pa4 n TYR 50 N 6.18 2.63 -1.64 2.82 4.02 -1.25 -0.26 117.16 129.65 1pa4 n TYR 50 Ca 0.01 -2.61 -0.64 0.00 -0.01 0.00 0.00 57.90 54.66 1pa4 n TYR 50 Cb 0.48 -1.47 -0.09 0.00 -0.02 0.00 0.00 39.34 38.24 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 0.71 0.78 0.00 7.72 4.77 -1.05 -4.65 117.00 125.28 1pa4 n LEU 51 Ca 0.54 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 57.69 1pa4 n LEU 51 Cb 0.27 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1pa4 n LEU 51 CO 0.57 -1.26 0.28 -0.67 -1.33 0.00 0.00 177.39 174.99 1pa4 n ASP 52 N 3.02 0.75 -0.90 -1.43 2.03 -1.25 -4.70 116.55 114.07 1pa4 n ASP 52 Ca 0.26 -1.30 0.00 0.00 0.52 0.00 0.00 54.79 54.27 1pa4 n ASP 52 Cb 0.01 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.15 -1.97 0.00 0.00 4.11 -1.26 0.11 117.16 118.00 1pa4 n TYR 54 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 57.90 58.71 1pa4 n TYR 54 Cb 0.00 -2.25 0.00 0.00 -0.00 0.00 0.00 39.34 37.09 1pa4 n TYR 54 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 1pa4 n ASN 55 N -1.79 0.00 0.00 9.48 2.85 0.67 -3.41 115.26 123.05 1pa4 n ASN 55 Ca -0.25 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.22 1pa4 n ASN 55 Cb 0.63 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.65 1pa4 n ASN 55 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1pa4 n ARG 56 N -2.00 0.00 0.25 1.20 1.74 0.85 -4.94 116.66 113.76 1pa4 n ARG 56 Ca 0.00 0.18 0.17 0.00 -0.77 0.00 0.00 57.85 57.43 1pa4 n ARG 56 Cb 0.00 -1.76 0.82 0.00 -1.02 0.00 0.00 32.46 30.49 1pa4 n ARG 56 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1pa4 h GLU 57 N 0.00 0.00 0.00 5.56 5.08 -1.41 -2.34 114.58 121.47 1pa4 h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pa4 h GLU 57 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1pa4 h GLU 57 CO 0.00 0.00 0.00 0.94 -1.00 0.00 0.00 179.01 178.95 1pa4 n GLN 58 N -2.76 -0.60 -0.14 2.33 -0.06 -1.25 -4.79 117.38 110.12 1pa4 n GLN 58 Ca -0.01 -0.33 -0.06 0.00 -2.00 0.00 0.00 57.00 54.60 1pa4 n GLN 58 Cb 0.15 -0.82 0.00 0.00 -4.06 0.00 0.00 30.24 25.52 1pa4 n GLN 58 CO 0.00 0.00 0.00 0.97 -0.20 0.00 0.00 177.06 177.83 1pa4 h ILE 59 N 0.38 0.29 -0.92 1.69 6.09 -1.64 0.44 117.51 123.84 1pa4 h ILE 59 Ca 0.00 0.00 0.33 0.00 -1.37 0.00 0.00 64.86 63.82 1pa4 h ILE 59 Cb 0.19 0.29 -0.17 0.00 0.47 0.00 0.00 36.82 37.60 1pa4 h ILE 59 CO 0.00 0.00 0.31 -0.67 -3.07 0.00 0.00 178.15 174.72 1pa4 n ASP 60 N -5.41 0.15 0.09 2.19 -0.08 -1.26 0.25 116.55 112.48 1pa4 n ASP 60 Ca 0.02 1.54 -0.22 0.00 -1.51 0.00 0.00 54.79 54.63 1pa4 n ASP 60 Cb 0.33 -0.68 -0.15 0.00 2.34 0.00 0.00 41.12 42.96 1pa4 n ASP 60 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1pa4 h ARG 61 N 0.00 0.40 0.18 -0.67 2.47 -0.74 -2.71 114.38 113.31 1pa4 h ARG 61 Ca 0.69 -0.69 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1pa4 h ARG 61 Cb 1.71 0.26 0.00 0.00 -1.65 0.00 0.00 29.97 30.29 1pa4 h ARG 61 CO -0.77 1.33 -0.09 0.28 0.56 0.00 0.00 179.97 181.28 1pa4 h VAL 62 N -0.15 0.00 -0.87 2.04 2.07 0.55 -1.19 116.25 118.70 1pa4 h VAL 62 Ca -0.20 -0.06 0.23 0.00 0.82 0.00 0.00 66.70 67.49 1pa4 h VAL 62 Cb 1.88 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 31.50 1pa4 h VAL 62 CO 0.20 0.00 0.14 0.58 0.02 0.00 0.00 177.57 178.52 1pa4 h VAL 63 N -0.30 0.25 -0.81 2.57 2.07 0.31 1.06 116.25 121.40 1pa4 h VAL 63 Ca -0.02 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1pa4 h VAL 63 Cb 0.19 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 29.99 1pa4 h VAL 63 CO 0.04 0.03 0.45 1.23 0.02 0.00 0.00 177.57 179.34 1pa4 h GLY 64 N 0.14 1.25 1.37 2.17 0.00 -1.44 -0.98 103.07 105.58 1pa4 h GLY 64 Ca 0.53 -0.30 -0.22 0.00 0.00 0.00 0.00 47.33 47.34 1pa4 h GLY 64 CO -0.72 0.11 -0.85 0.00 0.00 0.00 0.00 176.54 175.09 1pa4 h ALA 65 N 1.45 0.37 -0.19 3.60 0.00 0.20 -3.00 119.26 121.69 1pa4 h ALA 65 Ca 0.39 -0.64 0.06 0.00 0.00 0.00 0.00 54.91 54.71 1pa4 h ALA 65 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1pa4 h ALA 65 CO -0.25 0.73 0.26 0.74 0.00 0.00 0.00 179.25 180.73 1pa4 h PHE 66 N 0.38 0.00 0.44 0.00 -1.00 0.18 0.25 116.94 117.19 1pa4 h PHE 66 Ca -0.07 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 1pa4 h PHE 66 Cb 1.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.03 1pa4 h PHE 66 CO 0.07 0.00 -0.21 -0.97 -1.61 0.00 0.00 178.31 175.59 1pa4 h ASN 67 N 0.00 -0.50 0.00 2.17 -0.73 -1.16 0.15 115.58 115.51 1pa4 h ASN 67 Ca 0.09 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1pa4 h ASN 67 Cb 0.60 0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.32 1pa4 h ASN 67 CO -0.00 -0.09 0.00 0.00 -0.37 0.00 0.00 177.43 176.97 1pa4 n GLN 68 N -5.20 0.84 0.00 6.67 6.02 -0.65 -2.01 117.38 123.05 1pa4 n GLN 68 Ca -0.09 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 56.96 1pa4 n GLN 68 Cb 0.29 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 1pa4 n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pa4 n ALA 69 N -0.95 3.51 0.31 -1.58 0.00 0.79 -4.40 120.51 118.19 1pa4 n ALA 69 Ca 0.18 -0.38 0.14 0.00 0.00 0.00 0.00 53.44 53.38 1pa4 n ALA 69 Cb 0.08 -0.46 0.74 0.00 0.00 0.00 0.00 19.45 19.81 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 0.30 0.00 0.14 0.00 3.64 -0.06 -0.22 116.57 120.36 1pa4 h LYS 70 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1pa4 h LYS 70 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pa4 h LYS 70 CO 0.00 0.00 -0.07 0.78 -2.27 0.00 0.00 179.45 177.89 1pa4 h GLY 71 N 0.00 -0.20 0.66 5.01 0.00 -1.79 -2.25 103.07 104.51 1pa4 h GLY 71 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1pa4 h GLY 71 CO 0.00 -0.07 0.46 -0.39 0.00 0.00 0.00 176.54 176.54 1pa4 h VAL 72 N -0.97 0.99 -0.13 4.60 -1.51 -1.39 0.11 116.25 117.94 1pa4 h VAL 72 Ca -0.02 -0.28 0.02 0.00 -1.23 0.00 0.00 66.70 65.18 1pa4 h VAL 72 Cb 0.43 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 29.67 1pa4 h VAL 72 CO 0.03 0.15 0.02 -0.26 -1.23 0.00 0.00 177.57 176.29 1pa4 h PHE 73 N 0.82 0.04 -0.61 5.19 0.04 -1.29 -1.95 116.94 119.18 1pa4 h PHE 73 Ca 0.35 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.11 1pa4 h PHE 73 Cb 0.22 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 1pa4 h PHE 73 CO -0.06 0.01 0.31 0.66 -0.60 0.00 0.00 178.31 178.64 1pa4 h SER 74 N 0.08 0.77 -0.40 2.17 4.64 -0.73 -1.29 113.55 118.79 1pa4 h SER 74 Ca 0.06 -0.07 0.04 0.00 -0.47 0.00 0.00 61.79 61.35 1pa4 h SER 74 Cb 0.05 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 1pa4 h SER 74 CO -0.08 0.64 0.27 -0.09 -0.87 0.00 0.00 176.83 176.70 1pa4 h ARG 75 N 0.86 0.36 0.12 4.77 2.43 -0.09 -0.36 114.38 122.47 1pa4 h ARG 75 Ca 0.22 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1pa4 h ARG 75 Cb 0.06 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1pa4 h ARG 75 CO -0.03 0.24 -0.06 0.28 -1.51 0.00 0.00 179.97 178.88 1pa4 h VAL 76 N 0.37 0.00 -0.24 0.20 2.07 -0.61 0.34 116.25 118.38 1pa4 h VAL 76 Ca 0.17 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.76 1pa4 h VAL 76 Cb 0.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1pa4 h VAL 76 CO -0.04 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 177.88 1pa4 h LEU 77 N -0.16 0.00 0.55 2.57 4.07 -1.50 0.57 115.31 121.41 1pa4 h LEU 77 Ca -0.02 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.92 1pa4 h LEU 77 Cb 0.13 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.87 1pa4 h LEU 77 CO 0.02 0.00 -0.26 0.00 -1.08 0.00 0.00 178.44 177.12 1pa4 h ALA 78 N 1.43 -0.74 0.00 1.53 0.00 -0.38 0.28 119.26 121.37 1pa4 h ALA 78 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pa4 h ALA 78 Cb 0.91 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1pa4 h ALA 78 CO -0.00 -0.77 0.00 1.58 0.00 0.00 0.00 179.25 180.06 1pa4 n HIS 79 N -5.30 0.00 -0.01 0.00 -0.00 0.05 -3.48 115.22 106.47 1pa4 n HIS 79 Ca -0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.60 1pa4 n HIS 79 Cb 0.33 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.99 30.13 1pa4 n HIS 79 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1pa4 n ASN 80 N -1.19 0.25 0.00 0.26 2.85 0.00 -5.05 115.26 112.39 1pa4 n ASN 80 Ca 0.10 0.29 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1pa4 n ASN 80 Cb 0.12 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.59 1pa4 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1pa4 n LEU 81 N -2.59 0.00 -4.04 1.20 4.77 0.94 -5.07 117.00 112.21 1pa4 n LEU 81 Ca -0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.66 1pa4 n LEU 81 Cb 0.04 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1pa4 n LEU 81 CO 0.02 0.00 -1.32 0.00 -1.33 0.00 0.00 177.39 174.75 1pa4 n TYR 82 N 0.00 -1.41 0.00 -1.77 9.36 -1.25 -4.81 117.16 117.28 1pa4 n TYR 82 Ca 0.00 0.48 -0.09 0.00 3.32 0.00 0.00 57.90 61.61 1pa4 n TYR 82 Cb 0.00 -1.42 0.06 0.00 -0.63 0.00 0.00 39.34 37.35 1pa4 n TYR 82 CO 0.00 0.00 0.00 1.37 0.22 0.00 0.00 176.86 178.45 1pa4 h LEU 83 N -1.54 0.61 0.00 2.98 -0.00 -1.88 -3.37 115.31 112.13 1pa4 h LEU 83 Ca -0.37 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.19 1pa4 h LEU 83 Cb 1.18 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1pa4 h LEU 83 CO 0.23 1.02 0.00 0.00 -0.00 0.00 0.00 178.44 179.69 1pa4 n ALA 84 N -2.52 0.00 -1.46 0.17 0.00 -1.26 -4.52 120.51 110.93 1pa4 n ALA 84 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 1pa4 n ALA 84 Cb 0.59 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.19 1pa4 n ALA 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pa4 s LYS 85 N -1.55 0.86 0.00 0.00 3.01 -1.26 -3.53 119.74 117.27 1pa4 s LYS 85 Ca 0.00 0.29 0.00 0.00 -1.01 0.00 0.00 55.97 55.25 1pa4 s LYS 85 Cb 0.00 -1.81 0.00 0.00 -1.01 0.00 0.00 37.83 35.01 1pa4 s LYS 85 CO 0.00 -2.39 0.00 0.00 0.51 0.00 0.00 175.35 173.47 1pa4 n ALA 86 N -3.90 0.00 0.00 5.17 0.00 -1.26 -4.67 120.51 115.86 1pa4 n ALA 86 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1pa4 n ALA 86 Cb 0.59 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -2.38 0.00 -2.03 0.00 3.14 -1.23 -4.51 118.33 111.33 1pa4 n VAL 87 Ca 0.00 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.40 1pa4 n VAL 87 Cb 0.20 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.00 1pa4 n VAL 87 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pa4 n GLN 88 N 0.00 0.18 -1.59 1.45 6.02 -1.26 -4.71 117.38 117.46 1pa4 n GLN 88 Ca 0.00 -1.50 0.00 0.00 -0.01 0.00 0.00 57.00 55.49 1pa4 n GLN 88 Cb 0.00 -0.51 0.00 0.00 1.02 0.00 0.00 30.24 30.75 1pa4 n GLN 88 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1pa4 n ILE 89 N -0.05 -4.84 -4.17 5.09 5.41 -1.26 -4.58 119.36 114.96 1pa4 n ILE 89 Ca 0.04 2.22 -0.33 0.00 1.00 0.00 0.00 62.75 65.68 1pa4 n ILE 89 Cb 0.81 -3.15 -0.08 0.00 -0.71 0.00 0.00 39.64 36.52 1pa4 n ILE 89 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 1pa4 s HIS 90 N -3.87 3.23 -0.19 1.39 5.65 0.21 -4.71 115.29 117.00 1pa4 s HIS 90 Ca 0.00 0.18 -0.06 0.00 0.25 0.00 0.00 55.06 55.43 1pa4 s HIS 90 Cb 0.00 -1.73 -0.03 0.00 -1.18 0.00 0.00 32.58 29.63 1pa4 s HIS 90 CO 0.00 0.53 0.03 0.12 -0.65 0.00 0.00 174.74 174.77 1pa4 s PHE 91 N -1.12 3.14 0.02 3.88 2.19 -1.26 -2.33 117.98 122.50 1pa4 s PHE 91 Ca 0.20 -0.18 0.00 0.00 0.33 0.00 0.00 56.93 57.29 1pa4 s PHE 91 Cb -0.12 -2.09 -0.02 0.00 -1.31 0.00 0.00 43.02 39.48 1pa4 s PHE 91 CO 0.11 -0.05 -0.04 0.08 1.83 0.00 0.00 175.22 177.16 1pa4 s VAL 92 N 0.72 0.19 0.05 3.12 1.01 0.64 -4.83 120.40 121.30 1pa4 s VAL 92 Ca 0.02 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1pa4 s VAL 92 Cb -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1pa4 s VAL 92 CO 0.02 -0.45 0.00 0.29 0.00 0.00 0.00 175.10 174.96 1pa4 n LYS 93 N 1.64 0.00 -2.71 2.72 5.02 -1.26 -2.52 118.16 121.05 1pa4 n LYS 93 Ca -0.23 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 55.99 1pa4 n LYS 93 Cb 0.55 -0.37 0.10 0.00 -0.02 0.00 0.00 35.03 35.29 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 -3.06 -1.97 -2.15 4.39 9.92 -1.26 -4.60 116.55 117.82 1pa4 n ASP 94 Ca 0.00 -3.01 -0.18 0.00 -0.53 0.00 0.00 54.79 51.07 1pa4 n ASP 94 Cb 0.26 1.63 -0.07 0.00 -0.64 0.00 0.00 41.12 42.30 1pa4 n ASP 94 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1pa4 n LYS 95 N 0.50 2.05 -0.89 -1.24 3.00 -1.26 -3.31 118.16 117.01 1pa4 n LYS 95 Ca 0.02 -1.58 -0.06 0.00 -0.00 0.00 0.00 58.31 56.70 1pa4 n LYS 95 Cb 0.72 -1.90 -0.06 0.00 0.00 0.00 0.00 35.03 33.79 1pa4 n LYS 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pa4 n ALA 96 N 1.35 3.35 0.02 3.14 0.00 -1.26 -4.97 120.51 122.14 1pa4 n ALA 96 Ca 0.39 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 1pa4 n ALA 96 Cb 0.67 -0.26 -0.08 0.00 0.00 0.00 0.00 19.45 19.77 1pa4 n ALA 96 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1pa4 h ILE 97 N 4.92 1.03 0.00 0.00 2.10 -1.89 -3.48 117.51 120.18 1pa4 h ILE 97 Ca -0.45 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 64.17 1pa4 h ILE 97 Cb 1.31 1.77 0.00 0.00 -1.09 0.00 0.00 36.82 38.81 1pa4 h ILE 97 CO -0.23 0.28 0.00 -0.90 -1.08 0.00 0.00 178.15 176.22 1pa4 n ASP 98 N -4.86 0.00 -2.24 2.19 5.68 -1.26 -4.96 116.55 111.10 1pa4 n ASP 98 Ca -0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.20 1pa4 n ASP 98 Cb 0.28 0.00 0.08 0.00 -1.14 0.00 0.00 41.12 40.35 1pa4 n ASP 98 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1pa4 n ASN 99 N 0.00 -0.96 -0.11 -1.12 5.15 -1.26 -5.14 115.26 111.82 1pa4 n ASN 99 Ca 0.00 -1.79 0.01 0.00 -0.60 0.00 0.00 54.58 52.20 1pa4 n ASN 99 Cb 0.00 0.45 -0.01 0.00 -0.53 0.00 0.00 39.78 39.69 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 -1.01 -0.28 1.24 5.20 0.00 -1.26 -5.14 120.51 119.26 1pa4 n ALA 100 Ca -0.12 0.07 0.10 0.00 0.00 0.00 0.00 53.44 53.49 1pa4 n ALA 100 Cb 0.75 -0.12 0.59 0.00 0.00 0.00 0.00 19.45 20.67 1pa4 n ALA 100 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17