#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 -0.01 1.97 2.13 -1.26 -4.96 120.64 118.51 1pa4 n GLU 7 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1pa4 n GLU 7 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 31.71 1pa4 n GLU 7 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1pa4 n ARG 8 N -1.45 -0.02 -0.35 5.31 1.85 -1.26 -0.01 116.66 120.73 1pa4 n ARG 8 Ca 0.00 0.01 0.27 0.00 -1.00 0.00 0.00 57.85 57.13 1pa4 n ARG 8 Cb 0.00 -0.02 0.52 0.00 -1.05 0.00 0.00 32.46 31.91 1pa4 n ARG 8 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 1pa4 h LEU 9 N 0.00 0.44 0.00 2.89 -0.00 -2.02 -1.44 115.31 115.19 1pa4 h LEU 9 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1pa4 h LEU 9 Cb 0.01 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 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 -5.00 0.00 -0.34 0.17 2.13 -0.98 0.79 120.64 117.41 1pa4 n GLU 10 Ca 0.33 0.94 0.21 0.00 0.66 0.00 0.00 57.16 59.30 1pa4 n GLU 10 Cb 1.09 -1.44 0.46 0.00 0.27 0.00 0.00 31.44 31.82 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 0.54 0.25 4.31 -0.73 0.68 -0.44 115.58 120.19 1pa4 h ASN 11 Ca 0.00 0.12 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1pa4 h ASN 11 Cb 0.00 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.61 1pa4 h ASN 11 CO 0.00 0.07 -0.32 -0.78 -0.37 0.00 0.00 177.43 176.03 1pa4 h ASP 12 N 0.45 -0.89 -1.09 1.15 3.58 0.63 0.22 116.42 120.47 1pa4 h ASP 12 Ca 0.64 0.08 0.31 0.00 0.42 0.00 0.00 57.03 58.48 1pa4 h ASP 12 Cb 1.45 0.30 -0.12 0.00 1.72 0.00 0.00 39.33 42.69 1pa4 h ASP 12 CO -0.40 -0.40 0.67 0.40 -2.88 0.00 0.00 179.24 176.64 1pa4 h ILE 13 N -0.58 0.38 -0.76 2.25 5.03 0.12 1.49 117.51 125.44 1pa4 h ILE 13 Ca -0.03 -0.12 -0.06 0.00 -0.12 0.00 0.00 64.86 64.54 1pa4 h ILE 13 Cb 0.52 0.02 -0.03 0.00 -3.03 0.00 0.00 36.82 34.30 1pa4 h ILE 13 CO -0.08 0.06 0.26 0.40 -0.68 0.00 0.00 178.15 178.11 1pa4 h ILE 14 N 0.34 1.26 0.00 -0.67 5.03 -0.23 -1.40 117.51 121.83 1pa4 h ILE 14 Ca 0.69 -0.89 -0.03 0.00 -0.12 0.00 0.00 64.86 64.50 1pa4 h ILE 14 Cb 1.74 0.41 -0.00 0.00 -3.03 0.00 0.00 36.82 35.93 1pa4 h ILE 14 CO -0.42 0.35 -0.15 -0.09 -0.68 0.00 0.00 178.15 177.16 1pa4 h ARG 15 N 1.12 0.00 0.02 2.37 2.43 0.51 -1.86 114.38 118.99 1pa4 h ARG 15 Ca 0.25 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1pa4 h ARG 15 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1pa4 h ARG 15 CO -0.01 0.15 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.52 1pa4 h LEU 16 N 0.00 -0.03 -2.23 3.80 -0.00 0.17 0.25 115.31 117.27 1pa4 h LEU 16 Ca -0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 1pa4 h LEU 16 Cb 0.57 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 1pa4 h LEU 16 CO 0.02 -0.01 0.26 0.40 -0.00 0.00 0.00 178.44 179.10 1pa4 h ILE 17 N -0.04 0.14 -0.05 1.22 1.08 -1.52 0.21 117.51 118.55 1pa4 h ILE 17 Ca -0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.35 1pa4 h ILE 17 Cb 0.03 0.76 0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1pa4 h ILE 17 CO 0.01 0.00 -0.42 0.78 -0.69 0.00 0.00 178.15 177.83 1pa4 h ASN 18 N 0.00 0.45 -0.27 1.72 4.21 -1.19 -2.83 115.58 117.68 1pa4 h ASN 18 Ca 0.04 -0.69 0.08 0.00 1.21 0.00 0.00 56.30 56.94 1pa4 h ASN 18 Cb 0.55 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 1pa4 h ASN 18 CO -0.00 1.08 0.23 0.03 -1.29 0.00 0.00 177.43 177.48 1pa4 h ARG 19 N -0.14 0.00 0.17 0.81 2.47 0.28 0.17 114.38 118.14 1pa4 h ARG 19 Ca -0.04 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 1pa4 h ARG 19 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1pa4 h ARG 19 CO 0.09 0.00 -0.08 1.15 0.56 0.00 0.00 179.97 181.68 1pa4 h THR 20 N 0.00 0.00 -0.03 2.04 2.02 -1.38 -3.18 112.91 112.39 1pa4 h THR 20 Ca 0.13 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1pa4 h THR 20 Cb 0.59 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1pa4 h THR 20 CO -0.00 0.00 0.27 0.58 0.37 0.00 0.00 175.52 176.74 1pa4 h VAL 21 N -0.50 0.04 -0.97 3.16 2.07 -1.24 1.07 116.25 119.87 1pa4 h VAL 21 Ca -0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.61 1pa4 h VAL 21 Cb 0.18 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 1pa4 h VAL 21 CO 0.04 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.63 1pa4 h ILE 22 N 0.00 0.92 -0.03 4.57 1.08 -0.64 -3.14 117.51 120.27 1pa4 h ILE 22 Ca 0.01 -0.33 -0.18 0.00 -0.39 0.00 0.00 64.86 63.97 1pa4 h ILE 22 Cb 0.56 -0.13 -0.37 0.00 -3.07 0.00 0.00 36.82 33.81 1pa4 h ILE 22 CO -0.00 0.18 -0.99 1.57 -0.69 0.00 0.00 178.15 178.21 1pa4 n HIS 23 N -4.64 0.08 -4.14 1.37 -0.00 0.48 -5.05 115.22 103.32 1pa4 n HIS 23 Ca 0.18 -0.62 -0.16 0.00 0.46 0.00 0.00 57.72 57.57 1pa4 n HIS 23 Cb 0.34 -0.10 -0.05 0.00 -0.12 0.00 0.00 29.99 30.05 1pa4 n HIS 23 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1pa4 s GLU 24 N -0.27 1.91 0.00 1.57 2.56 0.34 -4.85 118.70 119.96 1pa4 s GLU 24 Ca 0.31 -1.85 0.00 0.00 0.00 0.00 0.00 54.97 53.43 1pa4 s GLU 24 Cb 0.36 0.42 0.00 0.00 2.00 0.00 0.00 34.13 36.91 1pa4 s GLU 24 CO -0.15 -0.77 0.00 -0.89 -0.56 0.00 0.00 175.26 172.89 1pa4 n ILE 25 N -0.60 0.00 -4.33 -3.70 2.08 -1.26 -3.21 119.36 108.34 1pa4 n ILE 25 Ca 0.03 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.97 1pa4 n ILE 25 Cb 0.62 -0.53 -0.06 0.00 -0.75 0.00 0.00 39.64 38.92 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 -2.36 -1.46 -4.42 1.39 4.19 -1.26 0.74 117.16 113.98 1pa4 n TYR 26 Ca 0.00 0.73 -0.39 0.00 3.31 0.00 0.00 57.90 61.55 1pa4 n TYR 26 Cb 0.24 -2.60 -0.07 0.00 0.49 0.00 0.00 39.34 37.40 1pa4 n TYR 26 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 1pa4 n ASN 27 N -2.64 -1.47 0.00 2.98 2.85 -1.20 -4.84 115.26 110.94 1pa4 n ASN 27 Ca 0.00 -1.20 0.00 0.00 -0.11 0.00 0.00 54.58 53.27 1pa4 n ASN 27 Cb 0.52 -1.87 0.00 0.00 1.24 0.00 0.00 39.78 39.67 1pa4 n ASN 27 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1pa4 n GLU 28 N -4.24 0.00 0.00 1.20 2.13 0.23 -4.88 120.64 115.08 1pa4 n GLU 28 Ca 0.00 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.31 1pa4 n GLU 28 Cb 0.52 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.89 1pa4 n GLU 28 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1pa4 n THR 29 N -1.76 0.00 -0.51 6.31 5.66 -1.26 -4.89 114.28 117.83 1pa4 n THR 29 Ca 0.00 0.00 0.43 0.00 -3.05 0.00 0.00 64.05 61.43 1pa4 n THR 29 Cb 0.00 -0.03 0.65 0.00 -1.55 0.00 0.00 70.33 69.41 1pa4 n THR 29 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 1pa4 n VAL 30 N -2.10 0.00 -0.08 1.08 0.24 -1.26 0.19 118.33 116.40 1pa4 n VAL 30 Ca 0.00 1.35 0.25 0.00 -2.04 0.00 0.00 64.34 63.90 1pa4 n VAL 30 Cb 0.00 -2.30 0.57 0.00 -1.47 0.00 0.00 33.84 30.64 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 0.05 7.34 3.11 -1.90 1.89 116.57 127.06 1pa4 h LYS 31 Ca 0.75 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 58.27 1pa4 h LYS 31 Cb 3.34 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 34.54 1pa4 h LYS 31 CO -0.01 0.00 -1.79 0.00 -2.81 0.00 0.00 179.45 174.85 1pa4 h THR 32 N 0.00 0.80 -2.88 1.00 1.03 0.16 -3.48 112.91 109.54 1pa4 h THR 32 Ca 0.36 -2.60 -0.58 0.00 -0.01 0.00 0.00 66.41 63.58 1pa4 h THR 32 Cb 2.12 2.47 0.17 0.00 -1.07 0.00 0.00 68.15 71.84 1pa4 h THR 32 CO -0.00 0.65 -0.49 0.61 -0.01 0.00 0.00 175.52 176.28 1pa4 n GLY 33 N 1.70 -1.71 3.14 2.99 0.00 0.64 -4.31 105.19 107.65 1pa4 n GLY 33 Ca -0.22 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.62 1pa4 n GLY 33 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pa4 s HIS 34 N -1.77 -1.54 0.10 1.61 3.76 -1.26 -4.75 115.29 111.44 1pa4 s HIS 34 Ca 0.67 0.32 -0.19 0.00 -0.15 0.00 0.00 55.06 55.71 1pa4 s HIS 34 Cb -0.44 0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.49 1pa4 s HIS 34 CO 0.56 -1.03 1.18 0.28 -0.85 0.00 0.00 174.74 174.88 1pa4 n VAL 35 N 4.45 -0.43 -0.60 -0.90 0.31 -1.26 -2.29 118.33 117.61 1pa4 n VAL 35 Ca 0.10 1.84 0.00 0.00 -0.01 0.00 0.00 64.34 66.26 1pa4 n VAL 35 Cb 0.58 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 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 -4.49 0.00 0.00 2.52 5.66 -1.26 -3.43 114.28 113.28 1pa4 n THR 36 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1pa4 n THR 36 Cb 0.16 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 1pa4 n THR 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pa4 n HIS 37 N -2.00 0.00 -0.43 1.09 1.44 -1.26 -5.12 115.22 108.94 1pa4 n HIS 37 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1pa4 n HIS 37 Cb 0.00 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.11 1pa4 n HIS 37 CO 0.00 0.00 0.00 1.55 -2.81 0.00 0.00 176.34 175.08 1pa4 n VAL 38 N -0.19 -0.78 -3.81 0.61 3.14 -1.26 -4.91 118.33 111.12 1pa4 n VAL 38 Ca 0.00 0.39 -0.30 0.00 -2.96 0.00 0.00 64.34 61.48 1pa4 n VAL 38 Cb 0.00 -0.66 -0.15 0.00 -1.06 0.00 0.00 33.84 31.97 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 -4.34 0.97 0.33 1.45 2.20 -0.76 -4.99 119.74 114.60 1pa4 s LYS 39 Ca 0.00 -1.14 -0.27 0.00 -0.36 0.00 0.00 55.97 54.20 1pa4 s LYS 39 Cb 0.00 -2.30 -0.09 0.00 -1.51 0.00 0.00 37.83 33.93 1pa4 s LYS 39 CO 0.00 -0.89 1.08 -1.17 -0.36 0.00 0.00 175.35 174.01 1pa4 s LEU 40 N 1.48 4.38 -0.18 5.43 1.98 -1.26 -2.60 118.68 127.90 1pa4 s LEU 40 Ca 0.07 2.18 -0.28 0.00 -2.89 0.00 0.00 54.13 53.21 1pa4 s LEU 40 Cb -0.18 -3.86 0.09 0.00 0.66 0.00 0.00 46.19 42.90 1pa4 s LEU 40 CO -0.18 -0.30 0.84 -0.55 -1.89 0.00 0.00 176.35 174.27 1pa4 s SER 41 N -1.16 -0.57 0.00 3.68 0.15 -0.69 -4.89 113.70 110.21 1pa4 s SER 41 Ca 0.50 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1pa4 s SER 41 Cb -0.28 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1pa4 s SER 41 CO 0.36 -0.35 0.00 0.47 1.20 0.00 0.00 173.24 174.91 1pa4 n ASP 42 N 1.63 -2.20 -2.05 5.45 9.92 -1.26 -0.24 116.55 127.80 1pa4 n ASP 42 Ca -0.14 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.08 1pa4 n ASP 42 Cb 0.56 -1.43 0.02 0.00 -0.64 0.00 0.00 41.12 39.63 1pa4 n ASP 42 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1pa4 n ASP 43 N -0.22 -3.58 0.00 -2.24 2.03 -1.26 -3.58 116.55 107.71 1pa4 n ASP 43 Ca 0.00 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1pa4 n ASP 43 Cb 0.11 -2.10 0.00 0.00 -0.72 0.00 0.00 41.12 38.41 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 -1.89 0.00 -0.50 -2.67 4.77 -1.19 -4.76 117.00 110.77 1pa4 n LEU 44 Ca -0.02 0.00 0.39 0.00 -0.03 0.00 0.00 56.01 56.36 1pa4 n LEU 44 Cb 0.53 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 42.26 1pa4 n LEU 44 CO 0.19 0.00 1.15 0.18 -1.33 0.00 0.00 177.39 177.57 1pa4 n LEU 45 N 0.00 0.10 -3.84 2.23 4.77 -1.22 -3.24 117.00 115.81 1pa4 n LEU 45 Ca 0.00 1.04 -0.28 0.00 -0.03 0.00 0.00 56.01 56.73 1pa4 n LEU 45 Cb 0.00 -0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.41 1pa4 n LEU 45 CO 0.00 -1.09 -0.40 -1.00 -1.33 0.00 0.00 177.39 173.57 1pa4 s HIS 46 N -4.82 1.56 -0.52 -1.77 3.76 0.67 -4.43 115.29 109.75 1pa4 s HIS 46 Ca -0.05 -1.10 0.01 0.00 -0.15 0.00 0.00 55.06 53.77 1pa4 s HIS 46 Cb 0.25 -1.24 0.13 0.00 1.11 0.00 0.00 32.58 32.83 1pa4 s HIS 46 CO 0.73 -0.63 0.28 0.08 -0.85 0.00 0.00 174.74 174.35 1pa4 s VAL 47 N 1.68 3.00 -0.96 -0.90 1.01 -1.20 -1.71 120.40 121.31 1pa4 s VAL 47 Ca -0.01 -2.92 -0.24 0.00 0.00 0.00 0.00 61.98 58.81 1pa4 s VAL 47 Cb -0.16 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.21 1pa4 s VAL 47 CO -0.07 -0.79 1.47 -0.89 0.00 0.00 0.00 175.10 174.82 1pa4 s THR 48 N 0.11 3.85 -0.58 3.92 2.01 -1.07 0.11 115.64 123.98 1pa4 s THR 48 Ca 0.15 -0.54 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 1pa4 s THR 48 Cb -0.23 -4.94 0.07 0.00 0.01 0.00 0.00 72.50 67.41 1pa4 s THR 48 CO -0.03 -1.84 0.82 0.68 -0.69 0.00 0.00 174.62 173.57 1pa4 s VAL 49 N 5.53 4.57 0.32 3.82 -7.23 -0.36 -1.82 120.40 125.22 1pa4 s VAL 49 Ca 0.46 -0.37 0.12 0.00 -1.81 0.00 0.00 61.98 60.39 1pa4 s VAL 49 Cb -0.02 -4.52 0.04 0.00 0.56 0.00 0.00 36.38 32.45 1pa4 s VAL 49 CO -0.05 -1.15 1.73 1.88 -0.31 0.00 0.00 175.10 177.19 1pa4 h TYR 50 N 9.29 0.00 -5.16 2.82 -1.99 -1.87 0.29 116.97 120.36 1pa4 h TYR 50 Ca -0.28 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.46 1pa4 h TYR 50 Cb 1.08 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.73 1pa4 h TYR 50 CO 0.88 0.48 -1.12 1.28 -0.00 0.00 0.00 178.16 179.68 1pa4 n LEU 51 N -3.93 -5.62 -0.77 3.88 4.77 -1.26 -3.56 117.00 110.51 1pa4 n LEU 51 Ca -0.01 2.07 0.09 0.00 -0.03 0.00 0.00 56.01 58.13 1pa4 n LEU 51 Cb 0.50 -2.85 0.10 0.00 -2.33 0.00 0.00 43.42 38.84 1pa4 n LEU 51 CO 0.40 -3.55 0.56 -0.67 -1.33 0.00 0.00 177.39 172.80 1pa4 n ASP 52 N 1.93 2.64 0.00 -1.43 2.03 -0.97 -4.84 116.55 115.90 1pa4 n ASP 52 Ca -0.26 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.26 1pa4 n ASP 52 Cb 0.41 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 1pa4 n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1pa4 h TYR 54 N 0.00 0.97 0.00 0.00 -1.99 -1.91 -3.39 116.97 110.64 1pa4 h TYR 54 Ca 0.00 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1pa4 h TYR 54 Cb 0.00 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.57 1pa4 h TYR 54 CO 0.00 1.21 0.00 0.09 -0.00 0.00 0.00 178.16 179.46 1pa4 n ASN 55 N -4.06 -1.35 0.00 3.88 4.13 -0.81 -5.06 115.26 111.99 1pa4 n ASN 55 Ca -0.07 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.53 1pa4 n ASN 55 Cb 0.66 1.49 0.00 0.00 -1.54 0.00 0.00 39.78 40.39 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 -2.89 0.00 0.05 3.52 1.85 -1.26 -4.86 116.66 113.07 1pa4 n ARG 56 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.90 1pa4 n ARG 56 Cb 0.00 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 31.64 1pa4 n ARG 56 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1pa4 n GLU 57 N 0.00 0.05 -0.00 2.89 0.28 -1.26 -0.26 120.64 122.34 1pa4 n GLU 57 Ca 0.00 0.51 0.07 0.00 -0.16 0.00 0.00 57.16 57.57 1pa4 n GLU 57 Cb 0.00 -1.65 -0.09 0.00 1.43 0.00 0.00 31.44 31.13 1pa4 n GLU 57 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1pa4 n GLN 58 N -1.76 1.47 0.22 3.44 0.00 -1.26 -4.54 117.38 114.94 1pa4 n GLN 58 Ca 0.00 -0.07 -0.15 0.00 -0.00 0.00 0.00 57.00 56.78 1pa4 n GLN 58 Cb 0.04 -1.23 -0.08 0.00 0.00 0.00 0.00 30.24 28.97 1pa4 n GLN 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 1pa4 h ILE 59 N 0.00 0.62 -1.16 1.69 6.09 -0.98 0.17 117.51 123.94 1pa4 h ILE 59 Ca 0.00 0.00 0.43 0.00 -1.37 0.00 0.00 64.86 63.92 1pa4 h ILE 59 Cb 0.48 0.62 -0.16 0.00 0.47 0.00 0.00 36.82 38.24 1pa4 h ILE 59 CO 0.00 0.00 0.69 -0.78 -3.07 0.00 0.00 178.15 174.99 1pa4 h ASP 60 N -0.50 0.30 0.24 2.19 3.58 -1.79 1.84 116.42 122.27 1pa4 h ASP 60 Ca -0.05 0.20 -0.33 0.00 0.42 0.00 0.00 57.03 57.27 1pa4 h ASP 60 Cb 0.39 0.20 0.04 0.00 1.72 0.00 0.00 39.33 41.68 1pa4 h ASP 60 CO 0.07 -0.31 -1.44 0.03 -2.88 0.00 0.00 179.24 174.71 1pa4 h ARG 61 N 0.05 0.55 0.42 0.28 3.08 -1.60 -2.50 114.38 114.66 1pa4 h ARG 61 Ca 0.84 -0.92 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1pa4 h ARG 61 Cb 2.40 0.34 0.00 0.00 0.08 0.00 0.00 29.97 32.79 1pa4 h ARG 61 CO -0.61 1.44 -0.20 0.28 -1.07 0.00 0.00 179.97 179.81 1pa4 h VAL 62 N 0.15 0.00 -0.79 2.04 2.07 0.52 0.06 116.25 120.30 1pa4 h VAL 62 Ca -0.25 -0.14 0.18 0.00 0.82 0.00 0.00 66.70 67.31 1pa4 h VAL 62 Cb 2.13 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.78 1pa4 h VAL 62 CO 0.27 0.00 0.20 0.58 0.02 0.00 0.00 177.57 178.65 1pa4 h VAL 63 N -0.70 0.46 -0.51 2.57 2.07 0.12 0.94 116.25 121.19 1pa4 h VAL 63 Ca -0.06 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1pa4 h VAL 63 Cb 0.43 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1pa4 h VAL 63 CO 0.09 0.05 0.34 1.23 0.02 0.00 0.00 177.57 179.30 1pa4 h GLY 64 N 0.26 0.69 1.21 2.17 0.00 -1.39 -1.81 103.07 104.20 1pa4 h GLY 64 Ca 0.46 -0.25 -0.29 0.00 0.00 0.00 0.00 47.33 47.26 1pa4 h GLY 64 CO -0.55 0.23 -1.17 0.00 0.00 0.00 0.00 176.54 175.05 1pa4 h ALA 65 N 1.69 0.03 -0.11 3.60 0.00 0.26 -3.13 119.26 121.61 1pa4 h ALA 65 Ca 0.20 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 54.40 1pa4 h ALA 65 Cb 0.01 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pa4 h ALA 65 CO -0.05 0.68 0.21 0.74 0.00 0.00 0.00 179.25 180.83 1pa4 h PHE 66 N 0.30 0.00 -0.54 0.00 -1.00 0.12 0.14 116.94 115.97 1pa4 h PHE 66 Ca -0.17 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.50 1pa4 h PHE 66 Cb 1.83 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.38 1pa4 h PHE 66 CO 0.11 0.00 -0.10 -0.97 -1.61 0.00 0.00 178.31 175.74 1pa4 h ASN 67 N 0.00 1.02 1.00 2.17 -0.73 -1.35 -1.95 115.58 115.73 1pa4 h ASN 67 Ca 0.05 -0.35 0.00 0.00 1.87 0.00 0.00 56.30 57.87 1pa4 h ASN 67 Cb 0.48 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1pa4 h ASN 67 CO -0.00 1.13 0.00 0.00 -0.37 0.00 0.00 177.43 178.19 1pa4 n GLN 68 N -4.17 0.09 0.00 6.67 6.02 0.45 -3.94 117.38 122.50 1pa4 n GLN 68 Ca 0.01 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1pa4 n GLN 68 Cb 0.40 -1.62 0.00 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 -1.60 -0.06 0.00 -1.58 0.00 -0.77 -4.63 120.51 111.86 1pa4 n ALA 69 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1pa4 n ALA 69 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -1.51 0.00 -0.04 0.00 5.02 -1.00 -2.27 118.16 118.36 1pa4 n LYS 70 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 1pa4 n LYS 70 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1pa4 n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pa4 n GLY 71 N 0.00 -0.55 0.26 0.72 0.00 -1.26 0.36 105.19 104.72 1pa4 n GLY 71 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 1.27 -0.01 1.61 -1.51 -1.81 0.26 116.25 116.07 1pa4 h VAL 72 Ca 0.02 -1.65 -0.01 0.00 -1.23 0.00 0.00 66.70 63.83 1pa4 h VAL 72 Cb 0.04 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 1pa4 h VAL 72 CO -0.09 0.54 0.01 0.49 -1.23 0.00 0.00 177.57 177.29 1pa4 n PHE 73 N -4.03 0.03 0.00 5.19 3.01 1.15 -2.67 117.46 120.13 1pa4 n PHE 73 Ca -0.03 -0.92 0.00 0.00 1.01 0.00 0.00 57.45 57.50 1pa4 n PHE 73 Cb 0.59 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1pa4 n PHE 73 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pa4 n SER 74 N 1.30 0.00 0.18 4.37 2.88 0.10 -4.12 113.62 118.34 1pa4 n SER 74 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1pa4 n SER 74 Cb 0.50 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.24 1pa4 n SER 74 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1pa4 h ARG 75 N 0.00 0.00 0.10 -1.46 2.43 -0.46 -2.44 114.38 112.55 1pa4 h ARG 75 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1pa4 h ARG 75 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1pa4 h ARG 75 CO 0.00 0.37 -0.24 0.28 -1.51 0.00 0.00 179.97 178.87 1pa4 h VAL 76 N 0.00 0.46 -0.05 0.20 2.07 -1.72 -1.66 116.25 115.56 1pa4 h VAL 76 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1pa4 h VAL 76 Cb 1.00 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1pa4 h VAL 76 CO 0.05 0.00 -0.56 -0.07 0.02 0.00 0.00 177.57 177.01 1pa4 h LEU 77 N -0.43 0.15 -0.94 2.57 4.07 -1.85 -3.00 115.31 115.88 1pa4 h LEU 77 Ca 0.03 -0.08 0.27 0.00 0.08 0.00 0.00 57.88 58.18 1pa4 h LEU 77 Cb 0.46 -0.04 -0.14 0.00 1.08 0.00 0.00 40.66 42.02 1pa4 h LEU 77 CO -0.15 0.68 0.42 0.00 -1.08 0.00 0.00 178.44 178.31 1pa4 h ALA 78 N 1.32 1.60 -1.90 1.53 0.00 -0.81 0.85 119.26 121.85 1pa4 h ALA 78 Ca -0.00 0.19 0.55 0.00 0.00 0.00 0.00 54.91 55.65 1pa4 h ALA 78 Cb 1.02 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1pa4 h ALA 78 CO 0.08 -0.47 1.36 1.58 0.00 0.00 0.00 179.25 181.81 1pa4 n HIS 79 N -5.10 0.02 0.00 0.00 -0.00 -0.93 -2.98 115.22 106.23 1pa4 n HIS 79 Ca 0.26 0.02 0.00 0.00 -0.00 0.00 0.00 57.72 58.00 1pa4 n HIS 79 Cb 0.79 -0.50 0.00 0.00 -0.00 0.00 0.00 29.99 30.28 1pa4 n HIS 79 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1pa4 n ASN 80 N -3.88 0.00 -4.48 0.26 3.02 0.28 -4.99 115.26 105.47 1pa4 n ASN 80 Ca 0.43 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.59 1pa4 n ASN 80 Cb 1.94 -0.14 -0.11 0.00 -0.61 0.00 0.00 39.78 40.86 1pa4 n ASN 80 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pa4 s LEU 81 N -4.39 4.32 0.32 3.41 1.43 -0.07 -5.08 118.68 118.62 1pa4 s LEU 81 Ca 0.00 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 1pa4 s LEU 81 Cb 0.00 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.11 1pa4 s LEU 81 CO 0.00 -0.22 0.05 -0.72 0.23 0.00 0.00 176.35 175.69 1pa4 s TYR 82 N 1.66 2.63 0.00 0.29 -0.85 -1.24 -2.97 117.35 116.87 1pa4 s TYR 82 Ca 0.05 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.24 1pa4 s TYR 82 Cb -0.17 -1.46 0.00 0.00 0.38 0.00 0.00 41.96 40.71 1pa4 s TYR 82 CO 0.08 0.47 0.00 -0.11 -1.52 0.00 0.00 175.55 174.47 1pa4 n LEU 83 N -1.00 -0.20 -0.36 -3.49 0.00 -1.26 -4.39 117.00 106.30 1pa4 n LEU 83 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.87 1pa4 n LEU 83 Cb 0.61 0.46 -0.09 0.00 0.00 0.00 0.00 43.42 44.40 1pa4 n LEU 83 CO 0.42 0.00 0.45 0.00 0.00 0.00 0.00 177.39 178.26 1pa4 n ALA 84 N 0.51 -0.55 -0.70 1.96 0.00 -1.26 -0.42 120.51 120.05 1pa4 n ALA 84 Ca 0.00 0.73 -0.19 0.00 0.00 0.00 0.00 53.44 53.98 1pa4 n ALA 84 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 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 -4.98 1.89 0.19 0.00 5.02 -1.26 -2.80 118.16 116.23 1pa4 n LYS 85 Ca 0.02 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.02 1pa4 n LYS 85 Cb 0.22 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 1pa4 n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pa4 n ALA 86 N 3.94 0.01 -3.29 7.82 0.00 0.44 -4.95 120.51 124.48 1pa4 n ALA 86 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 1pa4 n ALA 86 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.66 1pa4 n ALA 86 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1pa4 n VAL 87 N -3.27 0.00 0.00 0.00 0.24 -1.08 -3.92 118.33 110.29 1pa4 n VAL 87 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1pa4 n VAL 87 Cb 0.00 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1pa4 n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pa4 n GLN 88 N -0.19 0.00 -1.09 7.34 6.02 -1.26 -4.48 117.38 123.72 1pa4 n GLN 88 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1pa4 n GLN 88 Cb 0.21 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.47 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 0.00 -5.19 -3.78 5.09 5.41 -1.26 -4.51 119.36 115.12 1pa4 n ILE 89 Ca 0.00 1.52 -0.36 0.00 1.00 0.00 0.00 62.75 64.91 1pa4 n ILE 89 Cb 0.00 -2.86 -0.05 0.00 -0.71 0.00 0.00 39.64 36.01 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 -1.03 3.60 -0.18 1.39 2.46 0.12 -4.89 115.29 116.75 1pa4 s HIS 90 Ca 0.00 0.58 -0.08 0.00 0.47 0.00 0.00 55.06 56.04 1pa4 s HIS 90 Cb 0.00 -1.99 -0.04 0.00 -0.13 0.00 0.00 32.58 30.42 1pa4 s HIS 90 CO 0.00 0.66 0.07 -0.59 -2.47 0.00 0.00 174.74 172.41 1pa4 s PHE 91 N -1.20 3.29 0.19 3.88 -0.12 -1.26 -1.22 117.98 121.54 1pa4 s PHE 91 Ca 0.23 0.14 0.03 0.00 -0.05 0.00 0.00 56.93 57.29 1pa4 s PHE 91 Cb -0.13 -2.07 -0.05 0.00 -0.63 0.00 0.00 43.02 40.14 1pa4 s PHE 91 CO 0.13 0.22 -0.02 0.08 -0.05 0.00 0.00 175.22 175.58 1pa4 s VAL 92 N 0.23 0.90 0.16 -2.49 1.01 0.10 -4.86 120.40 115.46 1pa4 s VAL 92 Ca 0.05 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.01 1pa4 s VAL 92 Cb -0.12 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.11 1pa4 s VAL 92 CO 0.00 -0.47 0.00 2.29 0.00 0.00 0.00 175.10 176.92 1pa4 n LYS 93 N -0.30 0.00 -0.00 2.72 2.85 -1.23 -4.08 118.16 118.12 1pa4 n LYS 93 Ca -0.07 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.23 1pa4 n LYS 93 Cb 0.63 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.96 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 -2.82 1.22 -4.25 -5.58 2.03 -1.26 -4.98 116.55 100.92 1pa4 n ASP 94 Ca 0.00 -0.47 -0.35 0.00 0.52 0.00 0.00 54.79 54.50 1pa4 n ASP 94 Cb 0.00 1.10 -0.07 0.00 -0.72 0.00 0.00 41.12 41.43 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 -1.34 -0.76 0.00 -0.67 3.00 -1.26 -4.65 118.16 112.48 1pa4 n LYS 95 Ca 0.01 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1pa4 n LYS 95 Cb 0.13 -3.26 0.00 0.00 0.00 0.00 0.00 35.03 31.91 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 -4.67 0.32 -1.14 3.14 0.00 -1.26 -4.94 120.51 111.96 1pa4 n ALA 96 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 1pa4 n ALA 96 Cb 0.66 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.71 3.00 1.79 0.00 -5.35 -1.26 -4.36 119.36 112.47 1pa4 n ILE 97 Ca 0.00 -2.03 0.14 0.00 -0.27 0.00 0.00 62.75 60.60 1pa4 n ILE 97 Cb 0.00 -1.70 0.85 0.00 -1.74 0.00 0.00 39.64 37.05 1pa4 n ILE 97 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1pa4 n ASP 98 N 1.46 0.00 -2.91 7.28 -0.08 -1.26 -3.58 116.55 117.46 1pa4 n ASP 98 Ca 0.40 -0.87 -0.13 0.00 -1.51 0.00 0.00 54.79 52.68 1pa4 n ASP 98 Cb 0.69 -0.01 0.04 0.00 2.34 0.00 0.00 41.12 44.17 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 -1.01 -0.73 0.00 1.67 5.15 -1.26 -5.02 115.26 114.05 1pa4 n ASN 99 Ca 0.21 -3.25 0.00 0.00 -0.60 0.00 0.00 54.58 50.94 1pa4 n ASN 99 Cb 0.10 0.64 0.00 0.00 -0.53 0.00 0.00 39.78 39.99 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 0.22 0.12 -0.72 5.20 0.00 -1.24 -5.21 120.51 118.88 1pa4 n ALA 100 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1pa4 n ALA 100 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 1pa4 n ALA 100 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38