#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 0.36 0.00 1.97 1.02 -1.26 -5.04 120.64 117.69 1pa4 n GLU 7 Ca 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 57.16 55.65 1pa4 n GLU 7 Cb 0.00 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 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 2.74 0.00 -0.23 3.49 1.74 -1.26 -2.42 116.66 120.72 1pa4 n ARG 8 Ca 0.15 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.21 1pa4 n ARG 8 Cb 0.60 -0.68 0.09 0.00 -1.02 0.00 0.00 32.46 31.45 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 0.54 -0.16 0.55 -0.00 -1.98 -1.85 115.31 112.42 1pa4 h LEU 9 Ca 0.00 0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.93 1pa4 h LEU 9 Cb 0.00 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.55 1pa4 h LEU 9 CO 0.00 0.35 -0.25 -0.08 -0.00 0.00 0.00 178.44 178.47 1pa4 h GLU 10 N 0.68 -0.19 -0.06 0.17 4.81 -1.97 0.95 114.58 118.97 1pa4 h GLU 10 Ca 0.29 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1pa4 h GLU 10 Cb 0.17 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1pa4 h GLU 10 CO -0.18 -0.13 0.29 -0.97 -0.73 0.00 0.00 179.01 177.30 1pa4 h ASN 11 N -0.19 0.00 -0.07 1.04 -0.73 -1.24 0.35 115.58 114.73 1pa4 h ASN 11 Ca 0.03 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.11 1pa4 h ASN 11 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.87 1pa4 h ASN 11 CO -0.25 0.00 -0.30 -0.78 -0.37 0.00 0.00 177.43 175.73 1pa4 h ASP 12 N 0.00 0.37 -0.22 1.15 3.58 0.15 0.22 116.42 121.67 1pa4 h ASP 12 Ca 0.03 -0.65 -0.15 0.00 0.42 0.00 0.00 57.03 56.68 1pa4 h ASP 12 Cb 0.62 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1pa4 h ASP 12 CO -0.00 0.96 -0.41 0.40 -2.88 0.00 0.00 179.24 177.31 1pa4 h ILE 13 N -0.18 1.29 0.11 2.25 5.03 0.34 0.15 117.51 126.49 1pa4 h ILE 13 Ca -0.02 -1.59 -0.01 0.00 -0.12 0.00 0.00 64.86 63.13 1pa4 h ILE 13 Cb 0.95 1.48 0.00 0.00 -3.03 0.00 0.00 36.82 36.22 1pa4 h ILE 13 CO 0.06 0.52 -0.05 0.40 -0.68 0.00 0.00 178.15 178.40 1pa4 h ILE 14 N 0.63 1.06 0.00 -0.67 5.03 -0.69 -2.57 117.51 120.30 1pa4 h ILE 14 Ca 0.05 -0.68 -0.00 0.00 -0.12 0.00 0.00 64.86 64.10 1pa4 h ILE 14 Cb 0.97 1.49 -0.00 0.00 -3.03 0.00 0.00 36.82 36.24 1pa4 h ILE 14 CO 0.09 0.16 -0.02 -0.09 -0.68 0.00 0.00 178.15 177.61 1pa4 h ARG 15 N -0.47 0.00 0.16 2.37 2.43 -0.53 -2.56 114.38 115.77 1pa4 h ARG 15 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1pa4 h ARG 15 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1pa4 h ARG 15 CO 0.02 0.02 -0.08 -0.07 -1.51 0.00 0.00 179.97 178.36 1pa4 h LEU 16 N 0.00 -0.18 -1.99 3.80 3.38 -0.30 0.20 115.31 120.21 1pa4 h LEU 16 Ca -0.00 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.20 1pa4 h LEU 16 Cb 0.33 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1pa4 h LEU 16 CO 0.00 -0.11 0.55 0.40 0.09 0.00 0.00 178.44 179.37 1pa4 h ILE 17 N -0.24 0.62 -0.37 1.22 1.08 -1.45 0.74 117.51 119.10 1pa4 h ILE 17 Ca -0.02 -0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.32 1pa4 h ILE 17 Cb 0.16 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.51 1pa4 h ILE 17 CO 0.04 0.00 -0.28 -1.13 -0.69 0.00 0.00 178.15 176.09 1pa4 h ASN 18 N 0.01 0.80 0.39 1.72 -0.73 -1.25 -2.30 115.58 114.22 1pa4 h ASN 18 Ca 0.37 -0.31 -0.03 0.00 1.87 0.00 0.00 56.30 58.19 1pa4 h ASN 18 Cb 1.46 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 39.82 1pa4 h ASN 18 CO -0.01 1.03 -0.15 -0.09 -0.37 0.00 0.00 177.43 177.85 1pa4 h ARG 19 N 0.66 0.00 0.00 6.67 9.65 0.37 -1.93 114.38 129.81 1pa4 h ARG 19 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 1pa4 h ARG 19 Cb 0.80 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.38 1pa4 h ARG 19 CO 0.07 0.15 0.00 2.41 2.80 0.00 0.00 179.97 185.39 1pa4 n THR 20 N -3.71 0.00 -0.07 0.20 -1.04 -0.88 -3.45 114.28 105.35 1pa4 n THR 20 Ca -0.02 0.66 0.24 0.00 -2.04 0.00 0.00 64.05 62.90 1pa4 n THR 20 Cb 0.26 -1.41 0.55 0.00 -1.82 0.00 0.00 70.33 67.91 1pa4 n THR 20 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1pa4 h VAL 21 N 0.00 0.13 -0.72 12.58 2.07 -1.54 0.64 116.25 129.41 1pa4 h VAL 21 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1pa4 h VAL 21 Cb 0.00 0.26 -0.11 0.00 -1.52 0.00 0.00 31.29 29.92 1pa4 h VAL 21 CO 0.00 0.00 0.15 0.40 0.02 0.00 0.00 177.57 178.14 1pa4 h ILE 22 N 0.00 0.50 -0.60 4.57 1.08 -1.37 -3.09 117.51 118.59 1pa4 h ILE 22 Ca 0.35 -0.08 -0.28 0.00 -0.39 0.00 0.00 64.86 64.46 1pa4 h ILE 22 Cb 2.15 0.24 -0.38 0.00 -3.07 0.00 0.00 36.82 35.76 1pa4 h ILE 22 CO -0.00 0.04 -1.09 1.57 -0.69 0.00 0.00 178.15 177.98 1pa4 n HIS 23 N -5.18 0.97 -3.14 1.37 -0.00 0.20 -5.09 115.22 104.35 1pa4 n HIS 23 Ca 0.13 -2.35 0.00 0.00 0.46 0.00 0.00 57.72 55.97 1pa4 n HIS 23 Cb 0.45 -0.16 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 1pa4 n HIS 23 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1pa4 n GLU 24 N -0.45 0.00 -2.17 1.57 -0.58 0.30 -5.04 120.64 114.28 1pa4 n GLU 24 Ca 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.80 1pa4 n GLU 24 Cb 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.68 1pa4 n GLU 24 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1pa4 n ILE 25 N 0.00 -7.40 -0.04 -3.67 2.08 -1.26 -4.62 119.36 104.45 1pa4 n ILE 25 Ca 0.00 0.94 -0.00 0.00 0.56 0.00 0.00 62.75 64.25 1pa4 n ILE 25 Cb 0.00 -5.62 -0.00 0.00 -0.75 0.00 0.00 39.64 33.27 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 0.28 -0.01 -4.03 1.39 9.36 -1.26 -3.69 117.16 119.20 1pa4 n TYR 26 Ca 0.01 0.12 -0.36 0.00 3.32 0.00 0.00 57.90 60.99 1pa4 n TYR 26 Cb 0.03 -0.53 -0.07 0.00 -0.63 0.00 0.00 39.34 38.14 1pa4 n TYR 26 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1pa4 s ASN 27 N -5.04 5.96 -0.09 2.98 2.47 -1.26 -4.99 114.94 114.97 1pa4 s ASN 27 Ca -0.01 0.32 -0.05 0.00 0.42 0.00 0.00 52.86 53.54 1pa4 s ASN 27 Cb 0.02 -1.88 -0.16 0.00 -1.45 0.00 0.00 41.25 37.78 1pa4 s ASN 27 CO 0.07 0.37 3.22 1.21 -3.72 0.00 0.00 177.10 178.24 1pa4 n GLU 28 N 2.26 1.95 -0.02 0.43 2.13 -1.24 -4.33 120.64 121.81 1pa4 n GLU 28 Ca -0.19 -1.14 -0.01 0.00 0.66 0.00 0.00 57.16 56.48 1pa4 n GLU 28 Cb 0.54 -1.89 -0.00 0.00 0.27 0.00 0.00 31.44 30.36 1pa4 n GLU 28 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1pa4 h THR 29 N 1.84 0.00 -0.26 6.31 2.02 -1.94 -3.36 112.91 117.53 1pa4 h THR 29 Ca 0.21 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 67.16 1pa4 h THR 29 Cb 1.29 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1pa4 h THR 29 CO 0.34 0.00 0.61 -0.37 0.37 0.00 0.00 175.52 176.47 1pa4 h VAL 30 N -0.30 0.10 -1.47 3.16 -1.51 -1.81 0.46 116.25 114.88 1pa4 h VAL 30 Ca 0.00 0.00 0.43 0.00 -1.23 0.00 0.00 66.70 65.90 1pa4 h VAL 30 Cb 0.12 0.45 -0.06 0.00 -2.13 0.00 0.00 31.29 29.67 1pa4 h VAL 30 CO 0.00 0.00 1.26 0.50 -1.23 0.00 0.00 177.57 178.10 1pa4 h LYS 31 N 0.00 0.00 0.17 5.19 1.63 -1.85 0.91 116.57 122.62 1pa4 h LYS 31 Ca 0.12 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1pa4 h LYS 31 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1pa4 h LYS 31 CO -0.00 0.00 -0.08 0.00 -3.45 0.00 0.00 179.45 175.92 1pa4 h THR 32 N 0.00 0.76 -2.14 1.00 1.03 -1.16 -3.46 112.91 108.96 1pa4 h THR 32 Ca 0.70 -1.12 -0.61 0.00 -0.01 0.00 0.00 66.41 65.38 1pa4 h THR 32 Cb 3.21 1.29 0.16 0.00 -1.07 0.00 0.00 68.15 71.75 1pa4 h THR 32 CO -0.01 0.20 -0.78 0.61 -0.01 0.00 0.00 175.52 175.53 1pa4 n GLY 33 N 0.67 -2.37 0.32 2.99 0.00 0.32 -4.89 105.19 102.23 1pa4 n GLY 33 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.23 0.00 -1.95 1.61 -0.00 -1.26 -5.00 115.22 107.39 1pa4 n HIS 34 Ca 0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1pa4 n HIS 34 Cb 0.43 0.12 0.00 0.00 -0.12 0.00 0.00 29.99 30.42 1pa4 n HIS 34 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1pa4 n VAL 35 N 0.00 -7.15 -1.81 3.57 0.31 -1.22 -4.77 118.33 107.26 1pa4 n VAL 35 Ca 0.00 2.71 -0.37 0.00 -0.01 0.00 0.00 64.34 66.67 1pa4 n VAL 35 Cb 0.55 -3.72 0.05 0.00 -0.91 0.00 0.00 33.84 29.80 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 0.87 3.49 0.00 2.52 5.66 0.58 -4.78 114.28 122.62 1pa4 n THR 36 Ca 0.00 -3.98 0.00 0.00 -3.05 0.00 0.00 64.05 57.02 1pa4 n THR 36 Cb 0.00 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 1pa4 n THR 36 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1pa4 n HIS 37 N -0.64 0.00 -2.36 1.09 -0.00 -1.26 -4.86 115.22 107.18 1pa4 n HIS 37 Ca 0.55 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.33 1pa4 n HIS 37 Cb 0.40 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.23 1pa4 n HIS 37 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1pa4 s VAL 38 N 0.00 3.25 -0.59 3.57 0.11 -1.26 -4.49 120.40 120.99 1pa4 s VAL 38 Ca 0.00 1.25 -0.15 0.00 -2.93 0.00 0.00 61.98 60.14 1pa4 s VAL 38 Cb 0.00 -3.79 0.15 0.00 -1.53 0.00 0.00 36.38 31.21 1pa4 s VAL 38 CO 0.00 0.29 0.54 -0.75 -3.33 0.00 0.00 175.10 171.85 1pa4 s LYS 39 N -1.60 3.08 0.32 1.54 2.47 0.89 -4.95 119.74 121.49 1pa4 s LYS 39 Ca 0.46 -1.85 -0.29 0.00 -1.56 0.00 0.00 55.97 52.74 1pa4 s LYS 39 Cb -0.34 -4.31 -0.10 0.00 -1.46 0.00 0.00 37.83 31.62 1pa4 s LYS 39 CO 0.44 -1.32 1.35 -0.51 0.16 0.00 0.00 175.35 175.48 1pa4 s LEU 40 N 1.33 4.41 -0.16 5.43 2.01 -1.26 -2.60 118.68 127.84 1pa4 s LEU 40 Ca 0.06 2.72 -0.11 0.00 0.01 0.00 0.00 54.13 56.81 1pa4 s LEU 40 Cb -0.26 -3.65 0.05 0.00 0.01 0.00 0.00 46.19 42.34 1pa4 s LEU 40 CO 0.01 -0.60 0.40 -0.44 1.01 0.00 0.00 176.35 176.72 1pa4 s SER 41 N -0.27 -0.47 -0.18 2.29 0.01 0.68 -4.83 113.70 110.92 1pa4 s SER 41 Ca 0.51 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1pa4 s SER 41 Cb -0.41 0.78 0.00 0.00 0.21 0.00 0.00 66.02 66.60 1pa4 s SER 41 CO 0.52 -0.17 0.00 0.47 0.41 0.00 0.00 173.24 174.47 1pa4 n ASP 42 N 3.68 -4.90 0.00 2.44 8.00 -1.26 -0.40 116.55 124.12 1pa4 n ASP 42 Ca -0.19 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1pa4 n ASP 42 Cb 0.56 -2.55 0.00 0.00 -0.02 0.00 0.00 41.12 39.11 1pa4 n ASP 42 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1pa4 n ASP 43 N -0.59 0.00 0.00 -2.24 2.03 -1.26 -3.60 116.55 110.89 1pa4 n ASP 43 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1pa4 n ASP 43 Cb 0.34 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1pa4 n ASP 43 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1pa4 n LEU 44 N 0.00 0.00 -0.51 -2.67 4.77 -1.16 -4.88 117.00 112.55 1pa4 n LEU 44 Ca 0.00 0.00 0.40 0.00 -0.03 0.00 0.00 56.01 56.38 1pa4 n LEU 44 Cb 0.00 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.72 1pa4 n LEU 44 CO 0.00 0.00 1.13 -0.11 -1.33 0.00 0.00 177.39 177.08 1pa4 n LEU 45 N -1.47 0.07 -3.80 2.23 0.00 -1.24 -3.35 117.00 109.44 1pa4 n LEU 45 Ca 0.00 0.94 -0.26 0.00 0.00 0.00 0.00 56.01 56.69 1pa4 n LEU 45 Cb 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 43.42 42.78 1pa4 n LEU 45 CO 0.00 -0.98 -0.39 -1.00 0.00 0.00 0.00 177.39 175.02 1pa4 s HIS 46 N -4.68 1.04 -0.37 1.96 3.76 0.47 -4.02 115.29 113.45 1pa4 s HIS 46 Ca -0.05 -0.58 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 1pa4 s HIS 46 Cb 0.23 -1.00 0.12 0.00 1.11 0.00 0.00 32.58 33.03 1pa4 s HIS 46 CO 0.71 -0.48 0.16 0.08 -0.85 0.00 0.00 174.74 174.36 1pa4 s VAL 47 N 1.85 1.08 -0.61 -0.90 1.01 -1.21 -0.23 120.40 121.39 1pa4 s VAL 47 Ca 0.03 -1.91 -0.24 0.00 0.00 0.00 0.00 61.98 59.86 1pa4 s VAL 47 Cb -0.14 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.51 1pa4 s VAL 47 CO -0.07 -0.78 0.96 -0.89 0.00 0.00 0.00 175.10 174.32 1pa4 s THR 48 N 1.05 4.33 -0.14 3.92 2.01 -1.07 -0.41 115.64 125.34 1pa4 s THR 48 Ca 0.14 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 1pa4 s THR 48 Cb -0.21 -4.62 -0.05 0.00 0.01 0.00 0.00 72.50 67.64 1pa4 s THR 48 CO -0.12 -1.29 0.32 0.68 -0.69 0.00 0.00 174.62 173.52 1pa4 s VAL 49 N 4.08 5.27 -0.90 3.82 -7.23 0.46 -0.07 120.40 125.83 1pa4 s VAL 49 Ca 0.27 0.62 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 1pa4 s VAL 49 Cb -0.14 -3.66 0.30 0.00 0.56 0.00 0.00 36.38 33.45 1pa4 s VAL 49 CO 0.15 0.40 1.34 -1.22 -0.31 0.00 0.00 175.10 175.47 1pa4 n TYR 50 N 3.39 2.94 0.00 2.82 4.02 -1.26 -0.11 117.16 128.96 1pa4 n TYR 50 Ca -0.12 -3.11 0.00 0.00 -0.01 0.00 0.00 57.90 54.66 1pa4 n TYR 50 Cb 0.52 -0.98 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 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 0.61 0.00 0.00 7.72 4.77 -1.24 0.22 117.00 129.08 1pa4 n LEU 51 Ca 0.33 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 1pa4 n LEU 51 Cb 0.34 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1pa4 n LEU 51 CO 0.55 -0.18 0.00 -0.67 -1.33 0.00 0.00 177.39 175.76 1pa4 n ASP 52 N -1.85 -2.24 0.00 -1.43 2.03 -1.26 -3.31 116.55 108.48 1pa4 n ASP 52 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1pa4 n ASP 52 Cb 0.00 -2.05 0.00 0.00 -0.72 0.00 0.00 41.12 38.35 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 0.00 -0.10 -0.61 0.00 4.02 -1.26 -4.77 117.16 114.44 1pa4 n TYR 54 Ca 0.00 -3.56 0.00 0.00 -0.01 0.00 0.00 57.90 54.33 1pa4 n TYR 54 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 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 1.81 -1.65 -0.71 7.72 5.15 -0.53 -3.56 115.26 123.49 1pa4 n ASN 55 Ca 0.24 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 54.13 1pa4 n ASN 55 Cb 0.50 -0.27 -0.04 0.00 -0.53 0.00 0.00 39.78 39.43 1pa4 n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pa4 n ARG 56 N -2.55 -1.05 0.09 1.20 1.74 -1.05 -4.83 116.66 110.21 1pa4 n ARG 56 Ca 0.00 0.77 0.12 0.00 -0.77 0.00 0.00 57.85 57.96 1pa4 n ARG 56 Cb 0.00 -4.81 0.45 0.00 -1.02 0.00 0.00 32.46 27.09 1pa4 n ARG 56 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1pa4 n GLU 57 N -1.91 0.17 0.00 5.56 -0.00 -1.23 -3.03 120.64 120.20 1pa4 n GLU 57 Ca -0.09 0.31 0.00 0.00 -0.00 0.00 0.00 57.16 57.37 1pa4 n GLU 57 Cb 0.41 -1.77 0.00 0.00 -0.00 0.00 0.00 31.44 30.08 1pa4 n GLU 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1pa4 n GLN 58 N -2.08 0.39 -0.12 3.44 7.27 -1.26 -4.84 117.38 120.18 1pa4 n GLN 58 Ca 0.04 -0.52 -0.06 0.00 0.07 0.00 0.00 57.00 56.52 1pa4 n GLN 58 Cb 0.29 -0.65 0.00 0.00 2.41 0.00 0.00 30.24 32.28 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 1.49 0.32 -1.20 1.69 6.09 -1.90 0.50 117.51 124.51 1pa4 h ILE 59 Ca 0.00 0.00 0.45 0.00 -1.37 0.00 0.00 64.86 63.94 1pa4 h ILE 59 Cb 0.63 0.32 -0.16 0.00 0.47 0.00 0.00 36.82 38.09 1pa4 h ILE 59 CO 0.00 0.00 0.72 -0.67 -3.07 0.00 0.00 178.15 175.13 1pa4 n ASP 60 N -5.40 0.28 -0.06 2.19 2.03 -1.26 0.22 116.55 114.54 1pa4 n ASP 60 Ca 0.02 1.52 -0.16 0.00 0.52 0.00 0.00 54.79 56.69 1pa4 n ASP 60 Cb 0.32 -0.74 -0.13 0.00 -0.72 0.00 0.00 41.12 39.84 1pa4 n ASP 60 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1pa4 h ARG 61 N 0.00 0.03 0.55 -0.67 2.47 -0.54 -2.20 114.38 114.03 1pa4 h ARG 61 Ca 0.87 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 59.50 1pa4 h ARG 61 Cb 2.56 0.02 0.01 0.00 -1.65 0.00 0.00 29.97 30.91 1pa4 h ARG 61 CO -0.61 1.03 -0.27 0.28 0.56 0.00 0.00 179.97 180.96 1pa4 h VAL 62 N -0.93 0.00 -0.75 2.04 2.07 0.34 0.24 116.25 119.27 1pa4 h VAL 62 Ca -0.07 -0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.58 1pa4 h VAL 62 Cb 1.12 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 1pa4 h VAL 62 CO -0.02 0.00 0.30 0.58 0.02 0.00 0.00 177.57 178.46 1pa4 h VAL 63 N -0.75 0.67 -0.90 2.57 2.07 0.25 0.83 116.25 121.00 1pa4 h VAL 63 Ca -0.08 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1pa4 h VAL 63 Cb 0.57 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 1pa4 h VAL 63 CO 0.12 0.08 0.58 1.23 0.02 0.00 0.00 177.57 179.61 1pa4 h GLY 64 N 0.45 1.30 1.33 2.17 0.00 -1.20 -1.41 103.07 105.72 1pa4 h GLY 64 Ca 0.41 -0.40 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 1pa4 h GLY 64 CO -0.39 0.28 -1.13 0.00 0.00 0.00 0.00 176.54 175.30 1pa4 h ALA 65 N 1.52 0.12 -0.21 3.60 0.00 0.28 -3.13 119.26 121.45 1pa4 h ALA 65 Ca 0.39 -0.75 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1pa4 h ALA 65 Cb 0.24 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1pa4 h ALA 65 CO -0.15 0.74 0.25 0.74 0.00 0.00 0.00 179.25 180.83 1pa4 h PHE 66 N 0.28 0.00 -0.34 0.00 -1.00 0.15 0.82 116.94 116.85 1pa4 h PHE 66 Ca -0.14 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.59 1pa4 h PHE 66 Cb 1.79 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.34 1pa4 h PHE 66 CO 0.09 0.00 0.05 -0.97 -1.61 0.00 0.00 178.31 175.87 1pa4 h ASN 67 N 0.00 0.55 1.15 2.17 -0.73 -1.28 0.11 115.58 117.55 1pa4 h ASN 67 Ca 0.10 -0.27 -0.11 0.00 1.87 0.00 0.00 56.30 57.89 1pa4 h ASN 67 Cb 0.59 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 1pa4 h ASN 67 CO -0.00 0.68 -0.51 0.06 -0.37 0.00 0.00 177.43 177.29 1pa4 h GLN 68 N 0.40 0.00 0.00 6.67 3.07 -1.06 -2.78 115.11 121.41 1pa4 h GLN 68 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1pa4 h GLN 68 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.93 1pa4 h GLN 68 CO 0.01 0.51 -0.03 0.00 0.09 0.00 0.00 178.83 179.41 1pa4 n ALA 69 N -2.27 2.38 -0.01 0.06 0.00 -0.04 -3.53 120.51 117.09 1pa4 n ALA 69 Ca 0.01 -0.10 0.22 0.00 0.00 0.00 0.00 53.44 53.58 1pa4 n ALA 69 Cb 0.66 -1.45 0.58 0.00 0.00 0.00 0.00 19.45 19.24 1pa4 n ALA 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1pa4 h LYS 70 N 0.00 0.00 0.38 0.00 2.10 -0.48 0.24 116.57 118.81 1pa4 h LYS 70 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1pa4 h LYS 70 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1pa4 h LYS 70 CO 0.00 0.00 -0.18 0.78 -2.00 0.00 0.00 179.45 178.05 1pa4 h GLY 71 N 0.00 -0.53 0.69 0.07 0.00 -1.80 -1.54 103.07 99.96 1pa4 h GLY 71 Ca 0.30 0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.89 1pa4 h GLY 71 CO -0.00 -0.19 0.33 -0.39 0.00 0.00 0.00 176.54 176.28 1pa4 h VAL 72 N -1.12 0.96 -0.08 4.60 -1.51 -1.07 0.49 116.25 118.52 1pa4 h VAL 72 Ca -0.05 -0.21 0.03 0.00 -1.23 0.00 0.00 66.70 65.24 1pa4 h VAL 72 Cb 0.39 0.29 -0.04 0.00 -2.13 0.00 0.00 31.29 29.81 1pa4 h VAL 72 CO 0.09 0.11 -0.12 -0.26 -1.23 0.00 0.00 177.57 176.15 1pa4 h PHE 73 N 0.62 -0.31 -0.53 5.19 0.04 -0.75 -1.25 116.94 119.95 1pa4 h PHE 73 Ca 0.27 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.06 1pa4 h PHE 73 Cb 0.17 0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 1pa4 h PHE 73 CO -0.09 -0.19 0.35 0.66 -0.60 0.00 0.00 178.31 178.44 1pa4 h SER 74 N -0.17 0.61 -0.63 2.17 4.64 -0.69 -1.89 113.55 117.59 1pa4 h SER 74 Ca 0.07 -0.02 0.07 0.00 -0.47 0.00 0.00 61.79 61.44 1pa4 h SER 74 Cb 0.27 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1pa4 h SER 74 CO -0.18 0.44 0.31 -0.09 -0.87 0.00 0.00 176.83 176.44 1pa4 h ARG 75 N 0.72 0.55 -0.65 4.77 2.43 0.25 0.32 114.38 122.77 1pa4 h ARG 75 Ca 0.19 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.47 1pa4 h ARG 75 Cb -0.08 -0.13 -0.11 0.00 -0.42 0.00 0.00 29.97 29.23 1pa4 h ARG 75 CO -0.04 0.37 0.01 0.28 -1.51 0.00 0.00 179.97 179.08 1pa4 h VAL 76 N 0.57 0.46 -0.11 0.20 2.07 -0.72 0.39 116.25 119.12 1pa4 h VAL 76 Ca 0.29 -0.04 -0.15 0.00 0.82 0.00 0.00 66.70 67.62 1pa4 h VAL 76 Cb 0.25 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1pa4 h VAL 76 CO -0.22 0.02 -0.60 -0.07 0.02 0.00 0.00 177.57 176.73 1pa4 h LEU 77 N 0.12 0.40 -1.21 2.57 3.38 -1.27 -2.99 115.31 116.32 1pa4 h LEU 77 Ca 0.35 -0.23 0.37 0.00 0.09 0.00 0.00 57.88 58.46 1pa4 h LEU 77 Cb 0.57 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.07 1pa4 h LEU 77 CO -0.55 0.90 0.69 0.00 0.09 0.00 0.00 178.44 179.57 1pa4 h ALA 78 N 1.10 2.33 -1.84 1.53 0.00 0.36 0.86 119.26 123.61 1pa4 h ALA 78 Ca -0.00 0.15 0.53 0.00 0.00 0.00 0.00 54.91 55.59 1pa4 h ALA 78 Cb 1.12 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1pa4 h ALA 78 CO 0.10 -0.95 1.36 0.72 0.00 0.00 0.00 179.25 180.48 1pa4 n HIS 79 N -4.89 0.00 -0.00 0.00 8.25 -0.97 -2.50 115.22 115.11 1pa4 n HIS 79 Ca 0.34 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.79 1pa4 n HIS 79 Cb 1.19 -0.46 -0.00 0.00 1.12 0.00 0.00 29.99 31.84 1pa4 n HIS 79 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pa4 n ASN 80 N -3.79 0.47 -2.18 0.41 3.02 0.29 -5.07 115.26 108.41 1pa4 n ASN 80 Ca 0.41 0.07 -0.02 0.00 -0.03 0.00 0.00 54.58 55.01 1pa4 n ASN 80 Cb 1.91 -0.33 0.01 0.00 -0.61 0.00 0.00 39.78 40.76 1pa4 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1pa4 n LEU 81 N -2.95 0.00 0.00 3.41 7.99 -0.84 -4.92 117.00 119.69 1pa4 n LEU 81 Ca -0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 1pa4 n LEU 81 Cb 0.08 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1pa4 n LEU 81 CO 0.03 -0.56 0.00 0.00 -1.51 0.00 0.00 177.39 175.35 1pa4 n TYR 82 N -1.79 0.00 0.00 -1.77 9.36 -1.26 -3.97 117.16 117.72 1pa4 n TYR 82 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1pa4 n TYR 82 Cb 0.05 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.76 1pa4 n TYR 82 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 1pa4 n LEU 83 N 0.00 0.00 0.33 2.98 -0.00 -1.26 -4.13 117.00 114.92 1pa4 n LEU 83 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 1pa4 n LEU 83 Cb 0.00 0.00 0.31 0.00 -0.00 0.00 0.00 43.42 43.73 1pa4 n LEU 83 CO 0.00 0.00 1.05 0.00 -0.00 0.00 0.00 177.39 178.44 1pa4 h ALA 84 N -2.00 1.75 0.00 1.47 0.00 -2.01 -3.45 119.26 115.02 1pa4 h ALA 84 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pa4 h ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pa4 h ALA 84 CO 0.00 -0.75 0.00 1.63 0.00 0.00 0.00 179.25 180.13 1pa4 n LYS 85 N -2.65 0.00 -0.39 0.00 4.01 -1.26 -4.96 118.16 112.91 1pa4 n LYS 85 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1pa4 n LYS 85 Cb 0.77 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.29 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 5.17 0.00 -3.56 7.82 0.00 -1.26 -4.39 120.51 124.29 1pa4 n ALA 86 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1pa4 n ALA 86 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 1pa4 n ALA 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pa4 s VAL 87 N -2.07 0.00 0.00 0.00 0.11 -1.26 -4.03 120.40 113.15 1pa4 s VAL 87 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1pa4 s VAL 87 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1pa4 s VAL 87 CO 0.00 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1pa4 n GLN 88 N 0.08 0.00 -2.47 1.54 6.02 -1.26 -5.02 117.38 116.28 1pa4 n GLN 88 Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.52 1pa4 n GLN 88 Cb 0.59 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.82 1pa4 n GLN 88 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pa4 s ILE 89 N 0.00 3.79 -0.08 5.09 1.01 -1.26 -3.98 121.20 125.77 1pa4 s ILE 89 Ca 0.00 1.51 0.03 0.00 0.00 0.00 0.00 60.65 62.19 1pa4 s ILE 89 Cb 0.00 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1pa4 s ILE 89 CO 0.00 0.25 -0.15 -2.28 0.00 0.00 0.00 174.94 172.76 1pa4 s HIS 90 N -0.10 2.71 0.26 3.97 2.46 0.46 -4.98 115.29 120.06 1pa4 s HIS 90 Ca 0.51 -0.38 -0.11 0.00 0.47 0.00 0.00 55.06 55.55 1pa4 s HIS 90 Cb -0.30 -1.70 -0.07 0.00 -0.13 0.00 0.00 32.58 30.37 1pa4 s HIS 90 CO 0.35 0.01 0.59 -0.59 -2.47 0.00 0.00 174.74 172.63 1pa4 s PHE 91 N -0.30 3.42 -0.02 3.88 -0.12 -1.26 -0.41 117.98 123.17 1pa4 s PHE 91 Ca 0.02 0.94 -0.05 0.00 -0.05 0.00 0.00 56.93 57.79 1pa4 s PHE 91 Cb -0.13 -2.32 0.00 0.00 -0.63 0.00 0.00 43.02 39.95 1pa4 s PHE 91 CO 0.03 0.22 0.11 0.08 -0.05 0.00 0.00 175.22 175.61 1pa4 s VAL 92 N -1.87 0.05 0.00 -2.49 1.01 0.84 -4.82 120.40 113.11 1pa4 s VAL 92 Ca 0.49 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1pa4 s VAL 92 Cb -0.11 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1pa4 s VAL 92 CO 0.21 -0.22 0.00 2.29 0.00 0.00 0.00 175.10 177.38 1pa4 n LYS 93 N 2.18 0.00 -1.30 2.72 2.85 -1.26 -3.61 118.16 119.74 1pa4 n LYS 93 Ca -0.18 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1pa4 n LYS 93 Cb 0.57 -0.05 -0.01 0.00 -0.65 0.00 0.00 35.03 34.89 1pa4 n LYS 93 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1pa4 n ASP 94 N -2.13 0.25 0.05 -5.58 8.00 -1.26 -4.86 116.55 111.03 1pa4 n ASP 94 Ca 0.00 -1.99 0.07 0.00 0.71 0.00 0.00 54.79 53.57 1pa4 n ASP 94 Cb 0.00 -0.08 0.30 0.00 -0.02 0.00 0.00 41.12 41.33 1pa4 n ASP 94 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pa4 n LYS 95 N 0.31 0.06 -0.87 -1.24 4.76 -1.26 -2.74 118.16 117.18 1pa4 n LYS 95 Ca -0.06 0.42 -0.09 0.00 -2.87 0.00 0.00 58.31 55.70 1pa4 n LYS 95 Cb 0.98 -1.65 -0.10 0.00 -1.84 0.00 0.00 35.03 32.42 1pa4 n LYS 95 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pa4 n ALA 96 N -1.60 5.55 -3.91 7.82 0.00 -1.26 -4.74 120.51 122.36 1pa4 n ALA 96 Ca 0.01 -1.31 -0.35 0.00 0.00 0.00 0.00 53.44 51.80 1pa4 n ALA 96 Cb 0.11 -1.83 0.01 0.00 0.00 0.00 0.00 19.45 17.74 1pa4 n ALA 96 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1pa4 n ILE 97 N 1.96 -2.75 1.69 0.00 5.41 -1.17 -4.77 119.36 119.72 1pa4 n ILE 97 Ca 0.29 -0.29 0.15 0.00 1.00 0.00 0.00 62.75 63.90 1pa4 n ILE 97 Cb 0.74 -2.40 0.82 0.00 -0.71 0.00 0.00 39.64 38.09 1pa4 n ILE 97 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1pa4 n ASP 98 N -2.22 0.11 -2.66 4.38 2.03 -1.11 -4.30 116.55 112.78 1pa4 n ASP 98 Ca -0.21 -0.63 -0.04 0.00 0.52 0.00 0.00 54.79 54.43 1pa4 n ASP 98 Cb 0.60 -0.12 0.08 0.00 -0.72 0.00 0.00 41.12 40.96 1pa4 n ASP 98 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pa4 n ASN 99 N -1.06 -1.18 -3.52 1.67 4.13 -1.26 -5.16 115.26 108.87 1pa4 n ASN 99 Ca 0.19 -1.68 -0.10 0.00 1.68 0.00 0.00 54.58 54.66 1pa4 n ASN 99 Cb 0.19 0.69 -0.02 0.00 -1.54 0.00 0.00 39.78 39.10 1pa4 n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pa4 s ALA 100 N 0.06 -1.59 0.00 5.41 0.00 -1.26 -5.21 121.76 119.17 1pa4 s ALA 100 Ca 0.25 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1pa4 s ALA 100 Cb 0.22 0.77 0.00 0.00 0.00 0.00 0.00 23.12 24.11 1pa4 s ALA 100 CO -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 175.76 174.86