#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqt h THR 2 N 0.00 0.00 -3.05 1.12 2.02 -2.13 -3.47 112.91 107.39 2jqt h THR 2 Ca 0.00 -0.91 -0.47 0.00 0.77 0.00 0.00 66.41 65.80 2jqt h THR 2 Cb 0.00 0.00 0.04 0.00 -1.74 0.00 0.00 68.15 66.45 2jqt h THR 2 CO 0.00 0.00 -0.01 0.68 0.37 0.00 0.00 175.52 176.56 2jqt s VAL 3 N -1.53 3.97 0.57 3.16 -7.23 -1.26 -5.11 120.40 112.98 2jqt s VAL 3 Ca -0.01 -0.31 0.04 0.00 -1.81 0.00 0.00 61.98 59.89 2jqt s VAL 3 Cb 0.00 -3.50 0.11 0.00 0.56 0.00 0.00 36.38 33.55 2jqt s VAL 3 CO 0.01 -0.41 0.79 0.00 -0.31 0.00 0.00 175.10 175.18 2jqt n GLN 4 N -2.23 0.29 -1.97 4.82 3.00 -1.26 -4.99 117.38 115.05 2jqt n GLN 4 Ca 0.02 -2.51 -0.37 0.00 -0.01 0.00 0.00 57.00 54.13 2jqt n GLN 4 Cb 0.57 -0.41 -0.03 0.00 0.00 0.00 0.00 30.24 30.38 2jqt n GLN 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2jqt s ASP 5 N -4.33 5.13 0.57 1.08 1.01 -1.26 -4.81 116.67 114.05 2jqt s ASP 5 Ca 0.55 0.35 0.26 0.00 0.71 0.00 0.00 52.55 54.42 2jqt s ASP 5 Cb -0.04 -2.53 1.67 0.00 1.01 0.00 0.00 42.92 43.03 2jqt s ASP 5 CO 0.36 -2.50 2.22 0.22 0.21 0.00 0.00 175.17 175.69 2jqt h TYR 6 N 15.28 0.00 -0.79 4.23 5.03 -2.01 -1.91 116.97 136.80 2jqt h TYR 6 Ca -0.23 0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.20 2jqt h TYR 6 Cb 1.16 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 39.39 2jqt h TYR 6 CO 1.05 0.00 0.52 -0.07 -1.32 0.00 0.00 178.16 178.34 2jqt h LEU 7 N 0.00 0.57 -0.65 2.82 3.38 -1.98 -0.29 115.31 119.16 2jqt h LEU 7 Ca -0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2jqt h LEU 7 Cb 0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 2jqt h LEU 7 CO 0.00 0.32 0.16 0.25 0.09 0.00 0.00 178.44 179.25 2jqt h LEU 8 N 0.62 0.99 -0.66 1.67 5.85 -1.75 -2.65 115.31 119.39 2jqt h LEU 8 Ca 0.38 -0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 2jqt h LEU 8 Cb 0.61 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2jqt h LEU 8 CO -0.15 0.97 -0.57 0.11 -0.34 0.00 0.00 178.44 178.46 2jqt h LYS 9 N 0.96 0.31 0.64 1.25 1.79 -1.27 -2.89 116.57 117.37 2jqt h LYS 9 Ca 0.20 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2jqt h LYS 9 Cb 0.37 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2jqt h LYS 9 CO 0.00 0.80 -0.33 0.35 -1.08 0.00 0.00 179.45 179.18 2jqt h PHE 10 N 0.24 -0.87 -0.17 -1.35 3.04 -0.84 -2.46 116.94 114.53 2jqt h PHE 10 Ca 0.00 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.96 2jqt h PHE 10 Cb 1.07 0.30 -0.01 0.00 2.56 0.00 0.00 35.95 39.87 2jqt h PHE 10 CO 0.03 -0.53 0.12 0.07 -2.02 0.00 0.00 178.31 175.97 2jqt h ARG 11 N -0.90 0.11 0.00 1.11 0.11 -1.53 -0.49 114.38 112.79 2jqt h ARG 11 Ca -0.08 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 2jqt h ARG 11 Cb 0.70 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.75 2jqt h ARG 11 CO 0.12 0.07 -0.11 -0.22 0.10 0.00 0.00 179.97 179.94 2jqt h LYS 12 N 0.11 0.00 -6.83 0.08 1.63 -1.22 -3.43 116.57 106.91 2jqt h LYS 12 Ca 0.07 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.34 2jqt h LYS 12 Cb 0.15 0.00 0.08 0.00 -0.60 0.00 0.00 32.23 31.86 2jqt h LYS 12 CO -0.01 0.11 0.78 0.42 -3.45 0.00 0.00 179.45 177.30 2jqt s ILE 13 N -4.55 2.34 -0.11 2.00 1.01 -0.20 -4.92 121.20 116.76 2jqt s ILE 13 Ca -0.04 0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.00 2jqt s ILE 13 Cb 0.15 -3.20 -0.13 0.00 0.01 0.00 0.00 42.46 39.30 2jqt s ILE 13 CO 0.63 0.06 0.01 -0.24 0.00 0.00 0.00 174.94 175.40 2jqt n SER 14 N 1.59 2.40 -4.78 3.58 2.88 -1.26 -4.98 113.62 113.04 2jqt n SER 14 Ca 0.05 -0.01 -0.39 0.00 -1.33 0.00 0.00 58.87 57.19 2jqt n SER 14 Cb 0.39 0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 64.41 2jqt n SER 14 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jqt s SER 15 N -4.51 7.08 0.37 -3.46 0.15 -1.26 -4.97 113.70 107.10 2jqt s SER 15 Ca -0.08 1.28 0.14 0.00 0.70 0.00 0.00 55.95 58.00 2jqt s SER 15 Cb 0.03 -2.39 0.71 0.00 -1.71 0.00 0.00 66.02 62.67 2jqt s SER 15 CO 0.43 0.16 1.80 0.25 1.20 0.00 0.00 173.24 177.08 2jqt h LEU 16 N 5.14 0.00 -0.67 3.45 5.85 -2.02 -3.03 115.31 124.04 2jqt h LEU 16 Ca -0.47 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.31 2jqt h LEU 16 Cb 1.21 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 2jqt h LEU 16 CO 0.67 0.39 0.37 -0.33 -0.34 0.00 0.00 178.44 179.20 2jqt h GLU 17 N 0.00 0.65 -0.00 1.25 5.08 -2.02 -0.57 114.58 118.97 2jqt h GLU 17 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2jqt h GLU 17 Cb 0.73 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2jqt h GLU 17 CO 0.05 0.43 0.00 0.77 -1.00 0.00 0.00 179.01 179.26 2jqt h SER 18 N 0.67 0.00 0.59 1.42 0.02 -1.95 -2.76 113.55 111.55 2jqt h SER 18 Ca 0.30 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2jqt h SER 18 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2jqt h SER 18 CO -0.19 0.00 -0.41 0.25 -1.14 0.00 0.00 176.83 175.35 2jqt h LEU 19 N 0.00 -1.04 -1.15 5.07 6.46 -1.19 0.12 115.31 123.57 2jqt h LEU 19 Ca 0.00 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 2jqt h LEU 19 Cb 0.00 0.32 -0.04 0.00 -0.73 0.00 0.00 40.66 40.20 2jqt h LEU 19 CO -0.00 -0.61 0.58 1.05 -0.62 0.00 0.00 178.44 178.83 2jqt h GLU 20 N -0.96 1.12 -0.71 1.25 4.11 -1.52 -1.96 114.58 115.92 2jqt h GLU 20 Ca -0.07 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 2jqt h GLU 20 Cb 0.79 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2jqt h GLU 20 CO 0.05 0.74 0.41 0.87 0.07 0.00 0.00 179.01 181.15 2jqt h LYS 21 N 1.15 0.97 -0.39 1.06 1.57 -1.21 -2.33 116.57 117.39 2jqt h LYS 21 Ca 0.33 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 2jqt h LYS 21 Cb -0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 2jqt h LYS 21 CO -0.08 0.70 -0.10 1.25 -0.57 0.00 0.00 179.45 180.66 2jqt h LEU 22 N 0.97 0.67 0.87 2.94 6.46 -0.36 -1.69 115.31 125.16 2jqt h LEU 22 Ca 0.25 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 2jqt h LEU 22 Cb -0.00 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2jqt h LEU 22 CO -0.04 0.80 -0.42 0.22 -0.62 0.00 0.00 178.44 178.38 2jqt h TYR 23 N 0.63 -1.08 -0.11 1.25 5.03 -0.88 -1.72 116.97 120.09 2jqt h TYR 23 Ca 0.11 -0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.39 2jqt h TYR 23 Cb 0.53 0.36 -0.01 0.00 1.55 0.00 0.00 36.73 39.17 2jqt h TYR 23 CO 0.02 -0.67 0.05 -0.44 -1.32 0.00 0.00 178.16 175.80 2jqt h ASP 24 N -1.18 0.13 0.36 -2.11 5.19 -1.43 0.44 116.42 117.81 2jqt h ASP 24 Ca -0.12 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.27 2jqt h ASP 24 Cb 0.90 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.38 2jqt h ASP 24 CO 0.20 0.11 -0.17 0.45 -3.12 0.00 0.00 179.24 176.71 2jqt h HIS 25 N 0.15 -0.44 0.01 4.55 3.86 -1.01 -2.52 115.15 119.74 2jqt h HIS 25 Ca 0.04 -0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 59.04 2jqt h HIS 25 Cb 0.02 0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 2jqt h HIS 25 CO 0.00 -0.22 -0.89 -0.07 0.86 0.00 0.00 177.93 177.61 2jqt h LEU 26 N -0.57 0.14 -2.15 2.43 4.07 -1.01 -2.78 115.31 115.44 2jqt h LEU 26 Ca -0.05 -0.12 0.04 0.00 0.08 0.00 0.00 57.88 57.83 2jqt h LEU 26 Cb 0.42 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2jqt h LEU 26 CO 0.08 0.96 0.11 0.78 -1.08 0.00 0.00 178.44 179.29 2jqt h ASN 27 N 0.05 0.00 0.31 -0.43 4.21 -0.07 0.79 115.58 120.44 2jqt h ASN 27 Ca -0.03 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.16 2jqt h ASN 27 Cb 1.54 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.69 2jqt h ASN 27 CO 0.13 0.00 -1.96 -1.22 -1.29 0.00 0.00 177.43 173.09 2jqt n TYR 28 N -4.20 0.64 -0.05 1.19 4.02 -0.96 -3.38 117.16 114.42 2jqt n TYR 28 Ca 0.00 0.23 -0.02 0.00 -0.01 0.00 0.00 57.90 58.11 2jqt n TYR 28 Cb 0.23 -1.12 -0.01 0.00 -0.02 0.00 0.00 39.34 38.43 2jqt n TYR 28 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2jqt h THR 29 N 0.00 0.00 -1.01 -0.72 1.35 -1.06 -3.38 112.91 108.10 2jqt h THR 29 Ca -0.38 -0.87 0.01 0.00 -0.55 0.00 0.00 66.41 64.62 2jqt h THR 29 Cb 2.10 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 68.47 2jqt h THR 29 CO 0.06 0.00 0.67 -0.07 -0.25 0.00 0.00 175.52 175.93 2jqt h LEU 30 N -0.87 1.15 2.01 3.87 4.07 0.32 -3.45 115.31 122.41 2jqt h LEU 30 Ca 0.00 -0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 2jqt h LEU 30 Cb 0.18 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2jqt h LEU 30 CO 0.00 0.83 -0.19 1.07 -1.08 0.00 0.00 178.44 179.07 2jqt n THR 31 N -4.39 -0.29 -4.15 0.22 5.66 -1.19 -4.90 114.28 105.24 2jqt n THR 31 Ca 0.12 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.99 2jqt n THR 31 Cb 0.02 -0.81 -0.11 0.00 -1.55 0.00 0.00 70.33 67.88 2jqt n THR 31 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2jqt s ASP 32 N -2.10 1.26 0.60 1.09 1.47 -1.26 -5.02 116.67 112.71 2jqt s ASP 32 Ca 0.06 -0.79 0.29 0.00 1.18 0.00 0.00 52.55 53.28 2jqt s ASP 32 Cb -0.03 0.03 1.53 0.00 -0.34 0.00 0.00 42.92 44.11 2jqt s ASP 32 CO 0.07 -0.29 1.94 -2.24 0.68 0.00 0.00 175.17 175.33 2jqt h ASP 33 N 3.66 0.00 -0.36 2.11 2.03 -2.00 0.48 116.42 122.33 2jqt h ASP 33 Ca -0.37 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 55.99 2jqt h ASP 33 Cb 1.19 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.67 2jqt h ASP 33 CO 0.52 0.00 0.24 1.56 -1.03 0.00 0.00 179.24 180.54 2jqt h GLN 34 N 0.00 0.24 -0.23 4.15 1.08 -1.95 -0.73 115.11 117.68 2jqt h GLN 34 Ca 0.16 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.29 2jqt h GLN 34 Cb 0.97 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 2jqt h GLN 34 CO -0.00 0.16 -0.11 1.05 -0.95 0.00 0.00 178.83 178.98 2jqt h GLU 35 N 0.25 0.36 0.21 1.46 4.11 -1.26 -0.46 114.58 119.26 2jqt h GLU 35 Ca 0.16 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 2jqt h GLU 35 Cb 0.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jqt h GLU 35 CO -0.03 0.49 -0.10 -0.07 0.07 0.00 0.00 179.01 179.36 2jqt h LEU 36 N 0.34 -0.24 -0.95 3.06 3.38 -1.27 -1.70 115.31 117.93 2jqt h LEU 36 Ca 0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2jqt h LEU 36 Cb 0.41 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2jqt h LEU 36 CO 0.02 0.21 0.55 -0.29 0.09 0.00 0.00 178.44 179.02 2jqt h ILE 37 N -0.77 1.26 0.31 1.22 2.10 -1.45 0.35 117.51 120.54 2jqt h ILE 37 Ca -0.03 -0.59 -0.02 0.00 1.08 0.00 0.00 64.86 65.31 2jqt h ILE 37 Cb 0.51 -0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 2jqt h ILE 37 CO 0.05 0.28 -0.15 -1.13 -1.08 0.00 0.00 178.15 176.12 2jqt h ASN 38 N 1.30 -0.35 -0.62 2.19 -1.24 -1.12 -0.33 115.58 115.41 2jqt h ASN 38 Ca 0.33 -0.07 -0.09 0.00 0.71 0.00 0.00 56.30 57.18 2jqt h ASN 38 Cb -0.03 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 2jqt h ASN 38 CO -0.06 -0.15 0.03 0.24 -1.29 0.00 0.00 177.43 176.20 2jqt h MET 39 N -0.55 1.08 -0.56 6.67 2.86 -1.16 -2.19 114.93 121.08 2jqt h MET 39 Ca -0.04 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 2jqt h MET 39 Cb 0.40 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2jqt h MET 39 CO 0.07 1.03 0.37 1.88 1.06 0.00 0.00 176.91 181.32 2jqt h TYR 40 N 0.98 0.71 -0.06 -0.22 -1.99 -0.22 0.73 116.97 116.90 2jqt h TYR 40 Ca 0.18 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.92 2jqt h TYR 40 Cb 0.53 -0.24 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 2jqt h TYR 40 CO 0.04 0.45 0.02 0.00 -0.00 0.00 0.00 178.16 178.67 2jqt h ARG 41 N 0.76 0.09 -0.43 4.88 3.08 -0.91 0.29 114.38 122.13 2jqt h ARG 41 Ca 0.21 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 2jqt h ARG 41 Cb -0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2jqt h ARG 41 CO -0.04 0.24 -0.06 0.00 -1.07 0.00 0.00 179.97 179.04 2jqt h ALA 42 N 0.85 0.59 -0.45 0.04 0.00 -1.20 -2.22 119.26 116.86 2jqt h ALA 42 Ca 0.02 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2jqt h ALA 42 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jqt h ALA 42 CO -0.00 0.44 0.04 0.00 0.00 0.00 0.00 179.25 179.73 2jqt h ALA 43 N 0.88 0.61 -0.72 0.00 0.00 0.54 -2.35 119.26 118.21 2jqt h ALA 43 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jqt h ALA 43 Cb 0.58 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2jqt h ALA 43 CO 0.03 0.36 0.46 0.22 0.00 0.00 0.00 179.25 180.32 2jqt h ASP 44 N 0.63 0.85 -0.30 0.00 3.58 -0.37 0.15 116.42 120.96 2jqt h ASP 44 Ca 0.13 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2jqt h ASP 44 Cb 0.43 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 2jqt h ASP 44 CO 0.01 0.63 0.16 -0.74 -2.88 0.00 0.00 179.24 176.43 2jqt h HIS 45 N 0.98 0.41 -0.54 0.28 2.76 -1.27 -1.45 115.15 116.33 2jqt h HIS 45 Ca 0.26 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.32 2jqt h HIS 45 Cb -0.08 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 2jqt h HIS 45 CO -0.02 0.34 -0.08 0.00 -1.30 0.00 0.00 177.93 176.87 2jqt h ARG 46 N 0.36 0.99 -0.65 5.26 2.47 -1.12 -2.35 114.38 119.34 2jqt h ARG 46 Ca 0.10 -0.34 0.01 0.00 -1.26 0.00 0.00 59.98 58.49 2jqt h ARG 46 Cb 0.07 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 2jqt h ARG 46 CO -0.02 1.02 0.43 -0.09 0.56 0.00 0.00 179.97 181.87 2jqt h ARG 47 N 0.89 0.85 -0.31 0.04 9.65 -0.46 0.10 114.38 125.15 2jqt h ARG 47 Ca 0.14 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.94 2jqt h ARG 47 Cb 0.63 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2jqt h ARG 47 CO 0.04 0.57 0.06 0.00 2.80 0.00 0.00 179.97 183.44 2jqt h ALA 48 N 1.24 0.40 -0.73 2.80 0.00 -1.13 -2.04 119.26 119.79 2jqt h ALA 48 Ca 0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2jqt h ALA 48 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2jqt h ALA 48 CO -0.05 0.08 0.22 0.93 0.00 0.00 0.00 179.25 180.42 2jqt h GLU 49 N 0.33 1.13 -0.86 0.00 4.39 -1.15 0.91 114.58 119.33 2jqt h GLU 49 Ca 0.09 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2jqt h GLU 49 Cb 0.31 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2jqt h GLU 49 CO 0.00 0.97 0.45 1.25 -1.16 0.00 0.00 179.01 180.52 2jqt h LEU 50 N 1.09 1.10 -0.22 1.33 6.46 -0.66 0.85 115.31 125.27 2jqt h LEU 50 Ca 0.23 -0.12 -0.21 0.00 -0.12 0.00 0.00 57.88 57.67 2jqt h LEU 50 Cb 0.32 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 2jqt h LEU 50 CO -0.01 0.91 -0.92 0.58 -0.62 0.00 0.00 178.44 178.38 2jqt h VAL 51 N 1.22 1.50 -0.04 1.05 2.07 -1.06 -3.21 116.25 117.77 2jqt h VAL 51 Ca 0.30 -2.70 -0.14 0.00 0.82 0.00 0.00 66.70 64.98 2jqt h VAL 51 Cb 0.07 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2jqt h VAL 51 CO -0.04 0.79 -0.61 0.77 0.02 0.00 0.00 177.57 178.49 2jqt h SER 52 N 0.11 0.17 -2.40 0.57 4.64 -0.46 -3.44 113.55 112.74 2jqt h SER 52 Ca -0.05 -0.10 -0.53 0.00 -0.47 0.00 0.00 61.79 60.64 2jqt h SER 52 Cb 1.57 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 63.64 2jqt h SER 52 CO 0.14 0.74 1.21 -0.83 -0.87 0.00 0.00 176.83 177.22 2jqt s GLY 53 N -4.38 1.42 -0.49 -0.77 0.00 0.26 -4.93 107.32 98.43 2jqt s GLY 53 Ca -0.03 1.37 -0.22 0.00 0.00 0.00 0.00 44.72 45.84 2jqt s GLY 53 CO 0.78 3.41 0.75 -0.32 0.00 0.00 0.00 173.10 177.73 2jqt s GLY 54 N 4.06 1.62 -0.27 0.20 0.00 -1.26 -4.88 107.32 106.78 2jqt s GLY 54 Ca 0.87 -1.30 0.12 0.00 0.00 0.00 0.00 44.72 44.41 2jqt s GLY 54 CO 0.41 1.72 1.58 -2.13 0.00 0.00 0.00 173.10 174.68 2jqt n ARG 55 N 6.68 2.79 -3.00 2.90 0.63 -1.26 -4.99 116.66 120.41 2jqt n ARG 55 Ca -0.01 -3.03 -0.12 0.00 -0.92 0.00 0.00 57.85 53.77 2jqt n ARG 55 Cb 0.47 -1.97 0.01 0.00 0.45 0.00 0.00 32.46 31.43 2jqt n ARG 55 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2jqt n LEU 56 N -0.63 -6.89 0.00 6.15 4.77 -1.26 -5.33 117.00 113.80 2jqt n LEU 56 Ca 0.33 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 2jqt n LEU 56 Cb 1.13 -3.10 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 2jqt n LEU 56 CO 0.28 -1.81 0.00 2.22 -1.33 0.00 0.00 177.39 176.75