#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 0.00 0.00 1.64 1.02 -1.26 -4.92 120.64 117.12 1pa4 n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pa4 n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.00 0.00 0.25 3.49 0.00 -1.26 0.26 116.66 119.40 1pa4 n ARG 8 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.69 1pa4 n ARG 8 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1pa4 n ARG 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1pa4 h LEU 9 N 0.00 -0.76 -1.13 6.15 5.85 -2.00 -1.78 115.31 121.65 1pa4 h LEU 9 Ca 0.00 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.94 1pa4 h LEU 9 Cb 0.00 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 1pa4 h LEU 9 CO 0.00 -0.45 0.61 -0.08 -0.34 0.00 0.00 178.44 178.18 1pa4 h GLU 10 N -0.70 0.74 -0.94 1.25 4.81 0.32 0.28 114.58 120.34 1pa4 h GLU 10 Ca -0.04 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1pa4 h GLU 10 Cb 0.59 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 1pa4 h GLU 10 CO 0.02 0.49 0.60 -0.97 -0.73 0.00 0.00 179.01 178.42 1pa4 h ASN 11 N 0.76 0.95 -0.19 1.04 -0.00 -1.11 0.20 115.58 117.24 1pa4 h ASN 11 Ca 0.52 0.01 -0.13 0.00 -0.00 0.00 0.00 56.30 56.70 1pa4 h ASN 11 Cb 0.80 -0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.91 1pa4 h ASN 11 CO -0.29 0.61 -0.33 -0.78 -0.00 0.00 0.00 177.43 176.64 1pa4 h ASP 12 N 1.09 0.72 0.19 1.15 1.82 0.28 -1.95 116.42 119.73 1pa4 h ASP 12 Ca 0.40 -0.30 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1pa4 h ASP 12 Cb 0.15 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1pa4 h ASP 12 CO -0.17 1.00 -0.09 0.40 -1.61 0.00 0.00 179.24 178.77 1pa4 h ILE 13 N 0.59 0.85 -0.06 2.25 2.04 0.47 0.27 117.51 123.91 1pa4 h ILE 13 Ca 0.06 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1pa4 h ILE 13 Cb 0.85 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 1pa4 h ILE 13 CO 0.07 0.04 -0.25 0.40 0.00 0.00 0.00 178.15 178.41 1pa4 h ILE 14 N -0.33 0.42 0.00 -0.67 5.03 -0.62 0.42 117.51 121.76 1pa4 h ILE 14 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1pa4 h ILE 14 Cb 0.25 0.42 0.00 0.00 -3.03 0.00 0.00 36.82 34.46 1pa4 h ILE 14 CO 0.04 0.00 0.00 -1.14 -0.68 0.00 0.00 178.15 176.37 1pa4 n ARG 15 N -5.37 0.15 0.27 2.37 0.63 -0.74 -2.51 116.66 111.46 1pa4 n ARG 15 Ca -0.04 0.53 -0.12 0.00 -0.92 0.00 0.00 57.85 57.31 1pa4 n ARG 15 Cb 0.28 -1.89 -0.06 0.00 0.45 0.00 0.00 32.46 31.25 1pa4 n ARG 15 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1pa4 h LEU 16 N 0.00 -0.62 -1.57 6.15 7.12 0.35 0.22 115.31 126.95 1pa4 h LEU 16 Ca 0.00 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.10 1pa4 h LEU 16 Cb 0.16 0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.41 1pa4 h LEU 16 CO 0.00 -0.22 0.42 0.40 -0.13 0.00 0.00 178.44 178.92 1pa4 h ILE 17 N -1.17 0.92 0.01 4.05 1.08 -1.14 -0.47 117.51 120.79 1pa4 h ILE 17 Ca -0.07 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1pa4 h ILE 17 Cb 0.58 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1pa4 h ILE 17 CO 0.12 0.09 -0.01 0.78 -0.69 0.00 0.00 178.15 178.45 1pa4 h ASN 18 N 0.49 -0.01 0.10 1.72 2.35 -1.42 -2.23 115.58 116.58 1pa4 h ASN 18 Ca 0.29 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1pa4 h ASN 18 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1pa4 h ASN 18 CO -0.09 0.33 0.00 0.03 -1.65 0.00 0.00 177.43 176.05 1pa4 h ARG 19 N -0.36 0.00 0.07 0.81 3.08 0.68 -2.84 114.38 115.83 1pa4 h ARG 19 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1pa4 h ARG 19 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1pa4 h ARG 19 CO 0.00 0.00 -0.04 1.15 -1.07 0.00 0.00 179.97 180.02 1pa4 h THR 20 N 0.00 0.00 -0.95 2.04 2.02 -0.53 -3.33 112.91 112.16 1pa4 h THR 20 Ca 0.00 -0.26 0.23 0.00 0.77 0.00 0.00 66.41 67.15 1pa4 h THR 20 Cb 0.05 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.28 1pa4 h THR 20 CO 0.00 0.00 -0.07 0.58 0.37 0.00 0.00 175.52 176.40 1pa4 h VAL 21 N -0.36 0.07 0.00 3.16 2.07 -1.30 -2.83 116.25 117.06 1pa4 h VAL 21 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1pa4 h VAL 21 Cb 0.08 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1pa4 h VAL 21 CO 0.02 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.23 1pa4 n ILE 22 N -5.51 0.00 -1.93 4.57 5.41 -1.09 -0.82 119.36 119.99 1pa4 n ILE 22 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.94 1pa4 n ILE 22 Cb 0.62 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.55 1pa4 n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pa4 n HIS 23 N 0.00 0.00 -0.05 1.39 1.44 -1.23 -4.69 115.22 112.08 1pa4 n HIS 23 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1pa4 n HIS 23 Cb 0.00 -0.02 -0.15 0.00 0.12 0.00 0.00 29.99 29.94 1pa4 n HIS 23 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1pa4 n GLU 24 N 0.00 0.66 -0.22 -1.40 0.00 0.00 -3.91 120.64 115.78 1pa4 n GLU 24 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 57.16 57.40 1pa4 n GLU 24 Cb 0.67 -1.69 0.15 0.00 0.00 0.00 0.00 31.44 30.58 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 -3.00 0.60 -4.14 6.31 2.08 -1.08 -4.90 119.36 115.24 1pa4 n ILE 25 Ca -0.25 -0.48 -0.31 0.00 0.56 0.00 0.00 62.75 62.28 1pa4 n ILE 25 Cb 1.08 0.10 -0.04 0.00 -0.75 0.00 0.00 39.64 40.03 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 0.43 -1.58 -2.48 1.39 9.36 -1.25 0.86 117.16 123.89 1pa4 n TYR 26 Ca 0.11 0.73 -0.00 0.00 3.32 0.00 0.00 57.90 62.07 1pa4 n TYR 26 Cb 0.36 -3.23 -0.00 0.00 -0.63 0.00 0.00 39.34 35.84 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 -2.84 -1.02 0.00 2.98 3.02 -1.26 -4.78 115.26 111.36 1pa4 n ASN 27 Ca -0.18 0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1pa4 n ASN 27 Cb 0.62 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 1pa4 n ASN 27 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1pa4 n GLU 28 N -2.48 0.00 0.00 3.52 4.07 0.25 -4.86 120.64 121.14 1pa4 n GLU 28 Ca -0.00 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.67 1pa4 n GLU 28 Cb 0.50 -1.16 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 1pa4 n GLU 28 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1pa4 n THR 29 N -1.52 0.00 -0.17 6.31 5.66 -1.26 -4.89 114.28 118.40 1pa4 n THR 29 Ca 0.00 0.00 0.26 0.00 -3.05 0.00 0.00 64.05 61.26 1pa4 n THR 29 Cb 0.00 0.00 0.40 0.00 -1.55 0.00 0.00 70.33 69.18 1pa4 n THR 29 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 1pa4 h VAL 30 N 0.00 0.00 0.00 1.08 -1.51 -1.86 -0.66 116.25 113.31 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 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.17 1pa4 h VAL 30 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.51 1pa4 n LYS 31 N -3.19 0.36 0.00 5.19 0.00 -1.26 -1.41 118.16 117.85 1pa4 n LYS 31 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 58.31 58.52 1pa4 n LYS 31 Cb 1.49 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 35.19 1pa4 n LYS 31 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1pa4 n THR 32 N 1.84 0.00 0.00 3.15 5.66 -0.25 -4.98 114.28 119.69 1pa4 n THR 32 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1pa4 n THR 32 Cb 0.18 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 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 -0.05 -2.78 2.22 1.09 0.00 -0.50 -4.10 105.19 101.07 1pa4 n GLY 33 Ca 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.10 -2.45 -1.97 1.61 8.25 -1.26 0.12 115.22 117.41 1pa4 n HIS 34 Ca 0.00 1.13 -0.35 0.00 -0.26 0.00 0.00 57.72 58.24 1pa4 n HIS 34 Cb 0.00 -3.01 0.03 0.00 1.12 0.00 0.00 29.99 28.13 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 -0.91 2.81 -0.05 1.59 1.01 -1.26 -3.80 120.40 119.78 1pa4 s VAL 35 Ca -0.02 0.47 0.14 0.00 0.00 0.00 0.00 61.98 62.57 1pa4 s VAL 35 Cb 0.00 -3.13 0.27 0.00 0.00 0.00 0.00 36.38 33.52 1pa4 s VAL 35 CO 0.47 -0.14 1.12 0.35 0.00 0.00 0.00 175.10 176.90 1pa4 n THR 36 N -1.76 0.56 0.00 3.92 -2.24 -1.26 -4.94 114.28 108.57 1pa4 n THR 36 Ca 0.13 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1pa4 n THR 36 Cb 0.50 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.15 -1.42 -2.22 4.78 -0.00 -1.26 -5.07 115.22 109.89 1pa4 n HIS 37 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1pa4 n HIS 37 Cb 0.87 0.33 0.00 0.00 -0.12 0.00 0.00 29.99 31.07 1pa4 n HIS 37 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1pa4 n VAL 38 N -2.00-13.91 -4.01 3.57 0.31 -1.25 -5.00 118.33 96.04 1pa4 n VAL 38 Ca 0.00 3.45 -0.25 0.00 -0.01 0.00 0.00 64.34 67.53 1pa4 n VAL 38 Cb 0.00 -5.86 -0.17 0.00 -0.91 0.00 0.00 33.84 26.91 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 -0.56 1.26 0.25 5.55 2.47 -0.44 -4.96 119.74 123.32 1pa4 s LYS 39 Ca 0.00 -0.18 -0.04 0.00 -1.56 0.00 0.00 55.97 54.19 1pa4 s LYS 39 Cb 0.00 -1.33 -0.05 0.00 -1.46 0.00 0.00 37.83 34.99 1pa4 s LYS 39 CO 0.00 -0.21 0.49 -0.51 0.16 0.00 0.00 175.35 175.28 1pa4 s LEU 40 N 1.50 4.13 -0.15 5.43 2.01 -1.26 -0.35 118.68 130.00 1pa4 s LEU 40 Ca -0.00 0.61 -0.19 0.00 0.01 0.00 0.00 54.13 54.57 1pa4 s LEU 40 Cb -0.13 -3.41 0.05 0.00 0.01 0.00 0.00 46.19 42.71 1pa4 s LEU 40 CO -0.05 -0.13 0.49 -0.44 1.01 0.00 0.00 176.35 177.24 1pa4 s SER 41 N -3.08 -0.49 -0.31 2.29 0.01 -0.95 -4.89 113.70 106.28 1pa4 s SER 41 Ca 0.42 0.83 -0.06 0.00 1.31 0.00 0.00 55.95 58.45 1pa4 s SER 41 Cb -0.11 0.86 0.01 0.00 0.21 0.00 0.00 66.02 66.99 1pa4 s SER 41 CO 0.29 -0.27 0.24 -0.67 0.41 0.00 0.00 173.24 173.24 1pa4 n ASP 42 N 2.35 -7.10 -4.12 2.44 -0.08 -1.26 -2.15 116.55 106.63 1pa4 n ASP 42 Ca -0.15 0.87 -0.37 0.00 -1.51 0.00 0.00 54.79 53.62 1pa4 n ASP 42 Cb 0.56 -4.72 -0.03 0.00 2.34 0.00 0.00 41.12 39.28 1pa4 n ASP 42 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1pa4 n ASP 43 N 0.17 -1.70 -4.04 1.67 -0.08 -1.26 0.20 116.55 111.52 1pa4 n ASP 43 Ca 0.05 -1.20 -0.31 0.00 -1.51 0.00 0.00 54.79 51.82 1pa4 n ASP 43 Cb 0.18 -1.46 -0.08 0.00 2.34 0.00 0.00 41.12 42.11 1pa4 n ASP 43 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pa4 n LEU 44 N -4.57 -0.75 0.03 -2.67 -0.00 -1.25 -4.75 117.00 103.04 1pa4 n LEU 44 Ca -0.19 -1.06 -0.13 0.00 -0.00 0.00 0.00 56.01 54.63 1pa4 n LEU 44 Cb 0.57 -1.33 -0.14 0.00 -0.00 0.00 0.00 43.42 42.52 1pa4 n LEU 44 CO 0.73 0.24 -0.37 -0.07 -0.00 0.00 0.00 177.39 177.92 1pa4 h LEU 45 N -1.02 0.19 -8.23 1.47 3.38 0.28 -3.45 115.31 107.93 1pa4 h LEU 45 Ca -0.53 -0.30 -0.67 0.00 0.09 0.00 0.00 57.88 56.47 1pa4 h LEU 45 Cb 1.17 -0.06 -0.33 0.00 0.09 0.00 0.00 40.66 41.52 1pa4 h LEU 45 CO 0.67 1.26 -0.86 -1.00 0.09 0.00 0.00 178.44 178.60 1pa4 s HIS 46 N -2.62 2.69 -0.52 1.13 3.76 -0.93 0.53 115.29 119.33 1pa4 s HIS 46 Ca -0.07 -1.30 -0.14 0.00 -0.15 0.00 0.00 55.06 53.40 1pa4 s HIS 46 Cb 0.08 -1.83 0.12 0.00 1.11 0.00 0.00 32.58 32.06 1pa4 s HIS 46 CO 0.83 -0.59 0.45 0.08 -0.85 0.00 0.00 174.74 174.66 1pa4 s VAL 47 N 0.83 4.97 -1.08 -0.90 1.01 -1.21 -2.24 120.40 121.77 1pa4 s VAL 47 Ca -0.06 -1.52 -0.22 0.00 0.00 0.00 0.00 61.98 60.17 1pa4 s VAL 47 Cb -0.15 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1pa4 s VAL 47 CO -0.02 -0.82 1.54 -0.89 0.00 0.00 0.00 175.10 174.92 1pa4 s THR 48 N 1.55 3.94 -0.11 3.92 2.01 0.53 -0.97 115.64 126.51 1pa4 s THR 48 Ca 0.04 -1.02 -0.27 0.00 0.31 0.00 0.00 61.69 60.75 1pa4 s THR 48 Cb -0.29 -5.05 -0.02 0.00 0.01 0.00 0.00 72.50 67.16 1pa4 s THR 48 CO 0.02 -1.91 0.87 0.68 -0.69 0.00 0.00 174.62 173.60 1pa4 s VAL 49 N 5.07 4.88 -1.18 3.82 -7.23 -0.87 -1.33 120.40 123.57 1pa4 s VAL 49 Ca 0.49 1.77 -0.04 0.00 -1.81 0.00 0.00 61.98 62.39 1pa4 s VAL 49 Cb 0.01 -4.19 0.18 0.00 0.56 0.00 0.00 36.38 32.94 1pa4 s VAL 49 CO -0.05 0.08 2.23 -1.22 -0.31 0.00 0.00 175.10 175.83 1pa4 n TYR 50 N 4.73 2.61 -1.40 2.82 4.02 -1.26 -0.38 117.16 128.29 1pa4 n TYR 50 Ca 0.05 -2.69 -0.55 0.00 -0.01 0.00 0.00 57.90 54.70 1pa4 n TYR 50 Cb 0.49 -1.61 -0.08 0.00 -0.02 0.00 0.00 39.34 38.13 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 1.09 0.51 0.00 7.72 4.77 -1.15 -4.28 117.00 125.66 1pa4 n LEU 51 Ca 0.57 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 57.56 1pa4 n LEU 51 Cb 0.27 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 1pa4 n LEU 51 CO 0.61 -1.20 0.11 -0.67 -1.33 0.00 0.00 177.39 174.92 1pa4 n ASP 52 N 2.35 0.44 0.00 -1.43 -0.08 -1.21 -4.36 116.55 112.25 1pa4 n ASP 52 Ca 0.22 -0.72 0.00 0.00 -1.51 0.00 0.00 54.79 52.78 1pa4 n ASP 52 Cb 0.01 0.53 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1pa4 n ASP 52 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1pa4 n TYR 54 N 0.00 -0.40 -3.10 0.00 4.02 -1.26 -4.75 117.16 111.67 1pa4 n TYR 54 Ca 0.00 -3.46 -0.14 0.00 -0.01 0.00 0.00 57.90 54.28 1pa4 n TYR 54 Cb 0.00 -0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 1pa4 n TYR 54 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1pa4 n ASN 55 N 2.27 -4.63 -1.83 7.72 4.13 -0.84 -2.29 115.26 119.79 1pa4 n ASN 55 Ca 0.27 -0.30 -0.05 0.00 1.68 0.00 0.00 54.58 56.17 1pa4 n ASN 55 Cb 0.49 -3.25 -0.01 0.00 -1.54 0.00 0.00 39.78 35.46 1pa4 n ASN 55 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1pa4 n ARG 56 N -3.17 -1.93 0.14 3.52 0.00 -1.24 -4.71 116.66 109.27 1pa4 n ARG 56 Ca -0.01 0.25 0.06 0.00 -0.00 0.00 0.00 57.85 58.15 1pa4 n ARG 56 Cb 0.54 -4.57 0.05 0.00 -0.00 0.00 0.00 32.46 28.49 1pa4 n ARG 56 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1pa4 h GLU 57 N 0.00 0.00 0.00 2.89 5.08 -1.79 -3.33 114.58 117.43 1pa4 h GLU 57 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1pa4 h GLU 57 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1pa4 h GLU 57 CO 0.13 0.26 0.00 0.94 -1.00 0.00 0.00 179.01 179.34 1pa4 n GLN 58 N -3.07 3.68 -0.32 2.33 -0.06 -1.26 -4.74 117.38 113.94 1pa4 n GLN 58 Ca 0.01 -0.16 0.03 0.00 -2.00 0.00 0.00 57.00 54.87 1pa4 n GLN 58 Cb 0.66 -0.63 0.10 0.00 -4.06 0.00 0.00 30.24 26.32 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 0.04 0.09 -1.26 1.69 6.09 -1.92 1.67 117.51 123.91 1pa4 h ILE 59 Ca 0.00 0.00 0.46 0.00 -1.37 0.00 0.00 64.86 63.95 1pa4 h ILE 59 Cb 0.02 0.09 -0.15 0.00 0.47 0.00 0.00 36.82 37.25 1pa4 h ILE 59 CO 0.00 0.00 0.77 0.44 -3.07 0.00 0.00 178.15 176.29 1pa4 h ASP 60 N -0.01 0.24 0.16 2.19 3.32 -1.85 1.56 116.42 122.03 1pa4 h ASP 60 Ca 0.41 0.19 -0.22 0.00 0.02 0.00 0.00 57.03 57.42 1pa4 h ASP 60 Cb 0.64 0.19 0.02 0.00 0.22 0.00 0.00 39.33 40.41 1pa4 h ASP 60 CO -0.92 -0.31 -1.01 0.03 -1.72 0.00 0.00 179.24 175.31 1pa4 h ARG 61 N 0.01 0.34 0.75 3.56 2.47 0.21 -2.30 114.38 119.41 1pa4 h ARG 61 Ca 0.87 -0.57 -0.04 0.00 -1.26 0.00 0.00 59.98 58.98 1pa4 h ARG 61 Cb 2.63 0.21 0.01 0.00 -1.65 0.00 0.00 29.97 31.17 1pa4 h ARG 61 CO -0.56 1.27 -0.36 0.28 0.56 0.00 0.00 179.97 181.16 1pa4 h VAL 62 N -0.27 0.00 -0.86 2.04 2.07 0.29 0.30 116.25 119.82 1pa4 h VAL 62 Ca -0.18 -0.07 0.14 0.00 0.82 0.00 0.00 66.70 67.41 1pa4 h VAL 62 Cb 1.75 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 1pa4 h VAL 62 CO 0.16 0.00 0.46 0.58 0.02 0.00 0.00 177.57 178.79 1pa4 h VAL 63 N -1.08 0.75 -0.83 2.57 2.07 0.14 0.97 116.25 120.83 1pa4 h VAL 63 Ca -0.10 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1pa4 h VAL 63 Cb 0.77 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1pa4 h VAL 63 CO 0.17 0.12 0.48 1.23 0.02 0.00 0.00 177.57 179.59 1pa4 h GLY 64 N 0.66 1.22 1.36 2.17 0.00 -1.21 -2.23 103.07 105.04 1pa4 h GLY 64 Ca 0.46 -0.53 -0.24 0.00 0.00 0.00 0.00 47.33 47.03 1pa4 h GLY 64 CO -0.35 0.51 -0.95 0.00 0.00 0.00 0.00 176.54 175.75 1pa4 h ALA 65 N 1.37 0.28 -0.25 3.60 0.00 0.25 -3.07 119.26 121.44 1pa4 h ALA 65 Ca 0.30 -0.68 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1pa4 h ALA 65 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pa4 h ALA 65 CO -0.05 0.74 0.25 0.74 0.00 0.00 0.00 179.25 180.93 1pa4 h PHE 66 N 0.34 0.00 0.29 0.00 -1.00 0.14 -0.58 116.94 116.13 1pa4 h PHE 66 Ca -0.09 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1pa4 h PHE 66 Cb 1.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.15 1pa4 h PHE 66 CO 0.08 0.00 -0.14 -0.97 -1.61 0.00 0.00 178.31 175.67 1pa4 h ASN 67 N 0.00 -0.33 0.07 2.17 -0.73 -1.32 0.52 115.58 115.97 1pa4 h ASN 67 Ca 0.12 -0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.19 1pa4 h ASN 67 Cb 0.63 0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.30 1pa4 h ASN 67 CO -0.00 -0.10 0.00 0.00 -0.37 0.00 0.00 177.43 176.96 1pa4 n GLN 68 N -5.19 0.77 -0.03 6.67 6.02 -0.52 -2.01 117.38 123.08 1pa4 n GLN 68 Ca -0.10 0.01 0.04 0.00 -0.01 0.00 0.00 57.00 56.94 1pa4 n GLN 68 Cb 0.22 -1.50 0.05 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 -1.04 2.38 0.13 -1.58 0.00 -0.34 -4.49 120.51 115.57 1pa4 n ALA 69 Ca 0.19 -0.71 0.05 0.00 0.00 0.00 0.00 53.44 52.97 1pa4 n ALA 69 Cb 0.11 -0.27 0.25 0.00 0.00 0.00 0.00 19.45 19.54 1pa4 n ALA 69 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pa4 n LYS 70 N 0.37 0.06 0.17 0.00 5.02 0.18 -2.18 118.16 121.77 1pa4 n LYS 70 Ca 0.06 0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 56.78 1pa4 n LYS 70 Cb 0.24 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1pa4 n LYS 70 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1pa4 h GLY 71 N 0.43 -0.52 0.93 0.72 0.00 -1.80 0.19 103.07 103.02 1pa4 h GLY 71 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.54 1pa4 h GLY 71 CO 0.00 -0.19 0.42 -0.39 0.00 0.00 0.00 176.54 176.38 1pa4 h VAL 72 N -1.01 1.12 -0.10 4.60 -1.51 -1.82 0.25 116.25 117.78 1pa4 h VAL 72 Ca -0.05 -0.29 -0.00 0.00 -1.23 0.00 0.00 66.70 65.13 1pa4 h VAL 72 Cb 0.38 0.20 -0.00 0.00 -2.13 0.00 0.00 31.29 29.74 1pa4 h VAL 72 CO 0.08 0.15 0.05 -0.26 -1.23 0.00 0.00 177.57 176.37 1pa4 h PHE 73 N 0.85 0.14 -0.18 5.19 0.04 -1.53 -2.29 116.94 119.16 1pa4 h PHE 73 Ca 0.26 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 1pa4 h PHE 73 Cb -0.03 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1pa4 h PHE 73 CO -0.04 0.20 -0.00 0.66 -0.60 0.00 0.00 178.31 178.53 1pa4 h SER 74 N 0.05 0.23 -0.45 2.17 4.64 -0.21 -1.52 113.55 118.46 1pa4 h SER 74 Ca 0.03 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1pa4 h SER 74 Cb 0.11 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1pa4 h SER 74 CO -0.00 0.29 0.17 -0.09 -0.87 0.00 0.00 176.83 176.32 1pa4 h ARG 75 N 0.26 0.74 -0.25 4.77 2.43 0.01 -1.70 114.38 120.63 1pa4 h ARG 75 Ca 0.06 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 1pa4 h ARG 75 Cb 0.18 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.53 1pa4 h ARG 75 CO 0.00 0.63 -0.34 0.28 -1.51 0.00 0.00 179.97 179.04 1pa4 h VAL 76 N 0.73 0.24 0.00 0.20 2.07 -0.74 0.67 116.25 119.42 1pa4 h VAL 76 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1pa4 h VAL 76 Cb 0.20 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1pa4 h VAL 76 CO -0.01 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.47 1pa4 h LEU 77 N -0.35 0.00 -0.34 2.57 3.38 -1.56 -2.52 115.31 116.50 1pa4 h LEU 77 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 1pa4 h LEU 77 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1pa4 h LEU 77 CO -0.44 0.04 -0.12 0.00 0.09 0.00 0.00 178.44 178.00 1pa4 h ALA 78 N 1.96 0.47 0.00 1.53 0.00 0.11 -0.07 119.26 123.25 1pa4 h ALA 78 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1pa4 h ALA 78 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1pa4 h ALA 78 CO 0.00 0.35 0.00 1.25 0.00 0.00 0.00 179.25 180.85 1pa4 h HIS 79 N 0.45 0.00 0.00 0.00 2.76 -0.02 -3.26 115.15 115.09 1pa4 h HIS 79 Ca 0.08 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1pa4 h HIS 79 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1pa4 h HIS 79 CO 0.06 0.00 0.00 0.09 -1.30 0.00 0.00 177.93 176.78 1pa4 n ASN 80 N -2.40 0.00 0.00 3.26 4.13 -0.77 -5.01 115.26 114.47 1pa4 n ASN 80 Ca -0.00 0.14 0.00 0.00 1.68 0.00 0.00 54.58 56.40 1pa4 n ASN 80 Cb 0.14 -0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 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 -1.60 0.00 0.00 3.41 7.99 -0.11 -5.12 117.00 121.57 1pa4 n LEU 81 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1pa4 n LEU 81 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1pa4 n LEU 81 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88 1pa4 n TYR 82 N 0.00 0.00 -1.26 -1.77 9.36 -1.25 -4.86 117.16 117.37 1pa4 n TYR 82 Ca 0.00 0.00 0.16 0.00 3.32 0.00 0.00 57.90 61.38 1pa4 n TYR 82 Cb 0.00 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.64 1pa4 n TYR 82 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1pa4 n LEU 83 N 0.00 -0.84 -0.07 2.98 0.00 -1.26 -3.75 117.00 114.06 1pa4 n LEU 83 Ca 0.00 1.93 -0.13 0.00 0.00 0.00 0.00 56.01 57.81 1pa4 n LEU 83 Cb 0.00 -3.44 -0.06 0.00 0.00 0.00 0.00 43.42 39.92 1pa4 n LEU 83 CO 0.00 -2.29 -0.99 0.00 0.00 0.00 0.00 177.39 174.11 1pa4 n ALA 84 N -3.61 1.87 -0.18 1.96 0.00 -1.26 -4.15 120.51 115.13 1pa4 n ALA 84 Ca -0.06 -0.60 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1pa4 n ALA 84 Cb 0.60 0.24 0.05 0.00 0.00 0.00 0.00 19.45 20.34 1pa4 n ALA 84 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1pa4 h LYS 85 N -0.28 1.01 0.00 0.00 1.57 -2.01 -3.33 116.57 113.54 1pa4 h LYS 85 Ca -0.35 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 1pa4 h LYS 85 Cb 1.41 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.63 1pa4 h LYS 85 CO -0.15 1.01 0.00 0.00 -0.57 0.00 0.00 179.45 179.75 1pa4 n ALA 86 N -2.49 -0.12 -2.51 3.86 0.00 -1.26 -4.68 120.51 113.32 1pa4 n ALA 86 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 1pa4 n ALA 86 Cb 0.36 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.38 4.87 -0.30 0.00 -7.23 -1.25 -4.63 120.40 110.48 1pa4 s VAL 87 Ca 0.00 1.44 -0.20 0.00 -1.81 0.00 0.00 61.98 61.41 1pa4 s VAL 87 Cb 0.00 -4.03 0.20 0.00 0.56 0.00 0.00 36.38 33.12 1pa4 s VAL 87 CO 0.00 0.36 1.34 -1.58 -0.31 0.00 0.00 175.10 174.91 1pa4 s GLN 88 N 0.10 0.05 0.37 4.82 0.74 0.19 -4.37 119.66 121.56 1pa4 s GLN 88 Ca 0.35 0.08 -0.25 0.00 0.05 0.00 0.00 55.36 55.59 1pa4 s GLN 88 Cb -0.19 0.02 -0.09 0.00 1.10 0.00 0.00 33.01 33.84 1pa4 s GLN 88 CO 0.20 -0.01 1.02 0.42 -0.55 0.00 0.00 175.29 176.36 1pa4 s ILE 89 N 0.62 3.88 -0.06 -2.34 1.01 -1.26 -3.28 121.20 119.77 1pa4 s ILE 89 Ca -0.02 1.48 0.03 0.00 0.00 0.00 0.00 60.65 62.14 1pa4 s ILE 89 Cb -0.03 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.66 1pa4 s ILE 89 CO -0.12 0.05 -0.14 -2.28 0.00 0.00 0.00 174.94 172.45 1pa4 s HIS 90 N -1.65 1.52 0.17 3.97 2.46 -0.14 -4.78 115.29 116.84 1pa4 s HIS 90 Ca 0.55 -0.52 -0.27 0.00 0.47 0.00 0.00 55.06 55.29 1pa4 s HIS 90 Cb -0.21 -1.08 -0.08 0.00 -0.13 0.00 0.00 32.58 31.08 1pa4 s HIS 90 CO 0.26 -0.24 0.82 -0.59 -2.47 0.00 0.00 174.74 172.52 1pa4 s PHE 91 N 0.47 3.91 0.09 3.88 -0.12 -1.26 -2.06 117.98 122.89 1pa4 s PHE 91 Ca -0.11 1.69 0.05 0.00 -0.05 0.00 0.00 56.93 58.51 1pa4 s PHE 91 Cb -0.14 -2.83 -0.03 0.00 -0.63 0.00 0.00 43.02 39.38 1pa4 s PHE 91 CO 0.03 0.47 -0.13 0.08 -0.05 0.00 0.00 175.22 175.63 1pa4 s VAL 92 N -1.02 1.10 -0.32 -2.49 1.01 0.48 -4.86 120.40 114.30 1pa4 s VAL 92 Ca 0.38 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.86 1pa4 s VAL 92 Cb -0.24 -1.26 0.29 0.00 0.00 0.00 0.00 36.38 35.18 1pa4 s VAL 92 CO 0.27 -0.37 1.82 2.29 0.00 0.00 0.00 175.10 179.11 1pa4 n LYS 93 N 0.89 1.82 -3.36 2.72 2.85 -1.26 -2.92 118.16 118.90 1pa4 n LYS 93 Ca -0.18 -1.73 -0.16 0.00 -1.05 0.00 0.00 58.31 55.19 1pa4 n LYS 93 Cb 0.56 -1.68 0.08 0.00 -0.65 0.00 0.00 35.03 33.35 1pa4 n LYS 93 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1pa4 n ASP 94 N -0.04 -2.85 -1.92 -5.58 2.03 -1.26 -1.22 116.55 105.71 1pa4 n ASP 94 Ca 0.34 -0.62 -0.05 0.00 0.52 0.00 0.00 54.79 54.98 1pa4 n ASP 94 Cb 0.80 -5.02 -0.01 0.00 -0.72 0.00 0.00 41.12 36.17 1pa4 n ASP 94 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1pa4 n LYS 95 N -3.89 -2.03 0.00 -0.67 3.00 -1.26 -0.96 118.16 112.35 1pa4 n LYS 95 Ca -0.24 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1pa4 n LYS 95 Cb 0.66 -4.62 0.00 0.00 0.00 0.00 0.00 35.03 31.07 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 -1.57 0.00 0.00 3.14 0.00 -0.36 -2.63 120.51 119.09 1pa4 n ALA 96 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1pa4 n ALA 96 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 -3.53 0.00 0.13 -0.14 -5.05 119.36 110.77 1pa4 n ILE 97 Ca 0.00 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.46 1pa4 n ILE 97 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 39.64 38.81 1pa4 n ILE 97 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1pa4 n ASP 98 N -0.35 -5.92 0.00 9.51 -0.08 -1.08 -4.68 116.55 113.95 1pa4 n ASP 98 Ca 0.00 -0.69 0.00 0.00 -1.51 0.00 0.00 54.79 52.59 1pa4 n ASP 98 Cb 0.00 -3.25 0.00 0.00 2.34 0.00 0.00 41.12 40.21 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 -2.35 0.00 0.00 1.67 5.15 -1.26 -5.07 115.26 113.41 1pa4 n ASN 99 Ca -0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1pa4 n ASN 99 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 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 0.00 5.20 0.00 -1.26 -5.28 120.51 119.16 1pa4 n ALA 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pa4 n ALA 100 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1pa4 n ALA 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38