#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqt n THR 2 N 0.00 2.31 -3.66 2.03 5.66 -1.26 -5.01 114.28 114.35 2jqt n THR 2 Ca 0.00 -3.66 -0.14 0.00 -3.05 0.00 0.00 64.05 57.20 2jqt n THR 2 Cb 0.00 -0.62 -0.08 0.00 -1.55 0.00 0.00 70.33 68.08 2jqt n THR 2 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2jqt s VAL 3 N -3.84 -0.00 0.05 1.08 -7.23 -1.26 -5.17 120.40 104.04 2jqt s VAL 3 Ca 0.44 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.57 2jqt s VAL 3 Cb 0.39 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.46 2jqt s VAL 3 CO -0.02 0.00 0.17 0.00 -0.31 0.00 0.00 175.10 174.94 2jqt n GLN 4 N 2.76 0.16 -1.96 4.82 1.13 -1.26 -5.13 117.38 117.89 2jqt n GLN 4 Ca -0.14 -0.34 0.00 0.00 -1.94 0.00 0.00 57.00 54.58 2jqt n GLN 4 Cb 0.56 0.44 0.00 0.00 0.11 0.00 0.00 30.24 31.35 2jqt n GLN 4 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2jqt n ASP 5 N -0.89 -8.39 0.10 1.08 8.00 -1.26 -4.62 116.55 110.57 2jqt n ASP 5 Ca -0.01 1.31 -0.03 0.00 0.71 0.00 0.00 54.79 56.76 2jqt n ASP 5 Cb 0.11 -4.71 0.16 0.00 -0.02 0.00 0.00 41.12 36.66 2jqt n ASP 5 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2jqt h TYR 6 N 3.92 0.23 -0.22 1.24 0.05 -2.02 -2.98 116.97 117.19 2jqt h TYR 6 Ca 0.00 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 2jqt h TYR 6 Cb 0.00 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 2jqt h TYR 6 CO 0.00 0.70 0.13 -0.07 -1.05 0.00 0.00 178.16 177.87 2jqt h LEU 7 N 0.14 0.26 -1.68 3.88 3.38 -1.99 -1.30 115.31 118.01 2jqt h LEU 7 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2jqt h LEU 7 Cb 1.03 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2jqt h LEU 7 CO 0.08 0.21 -0.03 0.25 0.09 0.00 0.00 178.44 179.04 2jqt h LEU 8 N 0.30 0.14 0.33 1.67 6.46 -1.78 0.10 115.31 122.54 2jqt h LEU 8 Ca 0.08 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2jqt h LEU 8 Cb -0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 2jqt h LEU 8 CO -0.01 0.21 -0.16 0.50 -0.62 0.00 0.00 178.44 178.36 2jqt h LYS 9 N 0.16 -0.42 -0.07 1.25 1.63 -1.35 -0.74 116.57 117.02 2jqt h LYS 9 Ca 0.04 0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.68 2jqt h LYS 9 Cb 0.17 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2jqt h LYS 9 CO 0.01 -0.27 -0.75 0.35 -3.45 0.00 0.00 179.45 175.33 2jqt h PHE 10 N -0.45 0.52 -0.88 1.91 3.04 -1.57 -3.17 116.94 116.35 2jqt h PHE 10 Ca -0.05 -0.24 0.02 0.00 3.98 0.00 0.00 57.97 61.69 2jqt h PHE 10 Cb 0.35 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.73 2jqt h PHE 10 CO -0.05 1.00 0.58 -0.09 -2.02 0.00 0.00 178.31 177.73 2jqt h ARG 11 N 0.26 1.12 0.00 1.11 2.43 -0.68 -1.32 114.38 117.30 2jqt h ARG 11 Ca -0.03 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2jqt h ARG 11 Cb 1.33 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2jqt h ARG 11 CO 0.13 0.74 -0.31 -0.22 -1.51 0.00 0.00 179.97 178.80 2jqt h LYS 12 N 1.15 0.00 -6.78 0.20 1.63 -1.11 -3.44 116.57 108.23 2jqt h LYS 12 Ca 0.33 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.60 2jqt h LYS 12 Cb -0.07 0.00 0.08 0.00 -0.60 0.00 0.00 32.23 31.64 2jqt h LYS 12 CO -0.08 0.31 0.92 -0.89 -3.45 0.00 0.00 179.45 176.25 2jqt n ILE 13 N -3.86 0.83 -0.04 2.00 5.41 -0.50 -4.91 119.36 118.29 2jqt n ILE 13 Ca -0.01 -0.21 -0.05 0.00 1.00 0.00 0.00 62.75 63.48 2jqt n ILE 13 Cb 0.38 -1.99 -0.04 0.00 -0.71 0.00 0.00 39.64 37.28 2jqt n ILE 13 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2jqt n SER 14 N 2.51 3.36 -4.74 4.38 7.64 -1.26 -5.01 113.62 120.50 2jqt n SER 14 Ca 0.10 -0.02 -0.41 0.00 1.01 0.00 0.00 58.87 59.55 2jqt n SER 14 Cb 0.37 0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.75 2jqt n SER 14 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jqt s SER 15 N -4.35 7.42 0.34 6.43 1.04 -1.26 -4.94 113.70 118.37 2jqt s SER 15 Ca -0.08 2.00 0.11 0.00 0.48 0.00 0.00 55.95 58.46 2jqt s SER 15 Cb 0.02 -2.60 0.60 0.00 0.10 0.00 0.00 66.02 64.14 2jqt s SER 15 CO 0.23 -0.08 1.76 -0.07 0.98 0.00 0.00 173.24 176.06 2jqt h LEU 16 N 4.86 0.07 -1.18 2.42 -0.00 -2.02 -2.97 115.31 116.48 2jqt h LEU 16 Ca -0.44 -0.03 0.09 0.00 -0.00 0.00 0.00 57.88 57.50 2jqt h LEU 16 Cb 1.21 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.79 2jqt h LEU 16 CO 0.71 0.48 0.58 1.05 -0.00 0.00 0.00 178.44 181.25 2jqt h GLU 17 N 0.05 0.90 0.00 1.13 4.11 -2.02 -0.20 114.58 118.56 2jqt h GLU 17 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2jqt h GLU 17 Cb 0.76 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2jqt h GLU 17 CO 0.06 0.60 -0.00 1.03 0.07 0.00 0.00 179.01 180.76 2jqt h SER 18 N 0.93 0.00 0.49 3.06 0.87 -1.93 -1.59 113.55 115.38 2jqt h SER 18 Ca 0.41 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 2jqt h SER 18 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2jqt h SER 18 CO -0.17 0.00 -0.25 0.25 -0.53 0.00 0.00 176.83 176.13 2jqt h LEU 19 N 0.00 -0.62 -0.93 2.23 6.46 -1.15 0.36 115.31 121.67 2jqt h LEU 19 Ca -0.00 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2jqt h LEU 19 Cb 0.00 0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.05 2jqt h LEU 19 CO 0.00 -0.42 0.61 1.05 -0.62 0.00 0.00 178.44 179.06 2jqt h GLU 20 N -0.68 1.18 0.05 1.25 4.11 -1.58 -0.22 114.58 118.69 2jqt h GLU 20 Ca -0.07 -0.07 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 2jqt h GLU 20 Cb 0.53 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jqt h GLU 20 CO 0.10 0.78 -0.03 -0.22 0.07 0.00 0.00 179.01 179.71 2jqt h LYS 21 N 1.22 -0.07 -0.06 1.06 3.64 -1.23 -2.29 116.57 118.82 2jqt h LYS 21 Ca 0.35 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 2jqt h LYS 21 Cb -0.08 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2jqt h LYS 21 CO -0.09 -0.01 -0.20 1.25 -2.27 0.00 0.00 179.45 178.13 2jqt h LEU 22 N -0.11 0.10 0.88 5.20 6.46 0.03 -1.72 115.31 126.15 2jqt h LEU 22 Ca -0.01 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2jqt h LEU 22 Cb 0.09 -0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.00 2jqt h LEU 22 CO 0.01 0.31 -0.42 0.22 -0.62 0.00 0.00 178.44 177.94 2jqt h TYR 23 N 0.10 -1.09 -0.08 1.25 5.03 -0.61 -1.15 116.97 120.41 2jqt h TYR 23 Ca 0.02 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.27 2jqt h TYR 23 Cb 0.41 0.36 -0.01 0.00 1.55 0.00 0.00 36.73 39.04 2jqt h TYR 23 CO 0.00 -0.68 -0.11 -0.44 -1.32 0.00 0.00 178.16 175.62 2jqt h ASP 24 N -1.25 0.12 0.32 -2.11 3.32 -1.38 0.37 116.42 115.81 2jqt h ASP 24 Ca -0.12 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2jqt h ASP 24 Cb 0.91 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2jqt h ASP 24 CO 0.20 0.25 -0.16 -0.74 -1.72 0.00 0.00 179.24 177.07 2jqt h HIS 25 N 0.12 -0.40 -0.01 4.55 2.76 -1.14 -0.37 115.15 120.66 2jqt h HIS 25 Ca 0.03 -0.01 -0.22 0.00 -2.20 0.00 0.00 60.37 57.96 2jqt h HIS 25 Cb 0.28 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2jqt h HIS 25 CO 0.00 -0.16 -0.92 -0.07 -1.30 0.00 0.00 177.93 175.48 2jqt h LEU 26 N -0.59 0.57 -1.66 0.26 3.38 -1.05 0.33 115.31 116.54 2jqt h LEU 26 Ca -0.04 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2jqt h LEU 26 Cb 0.43 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2jqt h LEU 26 CO 0.07 1.24 -0.18 -1.13 0.09 0.00 0.00 178.44 178.53 2jqt h ASN 27 N 0.26 0.00 0.12 -0.43 -1.24 -0.26 0.58 115.58 114.60 2jqt h ASN 27 Ca -0.08 0.00 -0.37 0.00 0.71 0.00 0.00 56.30 56.57 2jqt h ASN 27 Cb 1.55 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.57 2jqt h ASN 27 CO 0.16 0.18 -2.12 -1.22 -1.29 0.00 0.00 177.43 173.14 2jqt n TYR 28 N -4.25 0.84 0.00 0.67 4.01 -0.15 -3.51 117.16 114.77 2jqt n TYR 28 Ca -0.02 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2jqt n TYR 28 Cb 0.25 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.16 2jqt n TYR 28 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2jqt n THR 29 N -3.35 0.00 -0.21 -0.72 -2.24 0.10 -4.46 114.28 103.41 2jqt n THR 29 Ca -0.34 0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 2jqt n THR 29 Cb 1.04 -0.65 0.03 0.00 -2.10 0.00 0.00 70.33 68.65 2jqt n THR 29 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jqt h LEU 30 N 0.00 0.79 1.95 3.22 5.85 -1.17 -3.46 115.31 122.50 2jqt h LEU 30 Ca 0.00 -0.16 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 2jqt h LEU 30 Cb 0.00 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2jqt h LEU 30 CO 0.00 0.74 -0.20 1.07 -0.34 0.00 0.00 178.44 179.71 2jqt n THR 31 N -4.49 -0.29 -4.15 1.05 5.66 0.18 -4.91 114.28 107.32 2jqt n THR 31 Ca 0.03 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.81 2jqt n THR 31 Cb 0.15 -0.80 -0.05 0.00 -1.55 0.00 0.00 70.33 68.08 2jqt n THR 31 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jqt s ASP 32 N -2.12 5.30 0.60 1.09 2.15 -1.26 -5.00 116.67 117.42 2jqt s ASP 32 Ca 0.07 -0.34 0.31 0.00 0.43 0.00 0.00 52.55 53.01 2jqt s ASP 32 Cb -0.04 -1.27 1.81 0.00 -0.30 0.00 0.00 42.92 43.12 2jqt s ASP 32 CO 0.08 -0.03 2.20 -0.78 -0.17 0.00 0.00 175.17 176.47 2jqt h ASP 33 N 1.58 0.00 -0.81 -0.34 3.58 -2.00 -1.68 116.42 116.74 2jqt h ASP 33 Ca -0.47 0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.05 2jqt h ASP 33 Cb 1.24 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.24 2jqt h ASP 33 CO 0.61 0.00 0.53 1.56 -2.88 0.00 0.00 179.24 179.06 2jqt h GLN 34 N 0.00 0.81 -0.03 0.28 1.08 -1.97 -0.63 115.11 114.66 2jqt h GLN 34 Ca 0.03 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 2jqt h GLN 34 Cb 0.21 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2jqt h GLN 34 CO -0.00 0.54 -0.52 1.05 -0.95 0.00 0.00 178.83 178.95 2jqt h GLU 35 N 0.84 0.07 -0.47 1.46 -0.00 -1.68 -2.21 114.58 112.59 2jqt h GLU 35 Ca 0.36 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.36 59.55 2jqt h GLU 35 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.05 2jqt h GLU 35 CO -0.13 0.58 -0.21 -0.07 -0.00 0.00 0.00 179.01 179.18 2jqt h LEU 36 N 0.05 0.99 -0.54 3.06 3.38 -1.21 0.14 115.31 121.19 2jqt h LEU 36 Ca -0.00 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 2jqt h LEU 36 Cb 0.94 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2jqt h LEU 36 CO 0.07 1.17 -0.56 -0.29 0.09 0.00 0.00 178.44 178.92 2jqt h ILE 37 N 0.81 1.13 0.00 1.22 2.10 -1.33 -2.73 117.51 118.72 2jqt h ILE 37 Ca 0.11 -2.12 -0.04 0.00 1.08 0.00 0.00 64.86 63.89 2jqt h ILE 37 Cb 0.78 2.24 -0.01 0.00 -1.09 0.00 0.00 36.82 38.74 2jqt h ILE 37 CO 0.06 0.55 -0.22 0.78 -1.08 0.00 0.00 178.15 178.24 2jqt h ASN 38 N 0.00 0.00 -0.09 2.19 2.35 -1.26 -2.87 115.58 115.91 2jqt h ASN 38 Ca -0.01 -0.68 0.02 0.00 -0.55 0.00 0.00 56.30 55.09 2jqt h ASN 38 Cb 1.19 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.54 2jqt h ASN 38 CO 0.07 0.97 -0.07 0.24 -1.65 0.00 0.00 177.43 176.99 2jqt h MET 39 N -1.00 -0.07 0.17 0.81 2.86 -0.83 0.27 114.93 117.14 2jqt h MET 39 Ca -0.05 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2jqt h MET 39 Cb 0.83 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2jqt h MET 39 CO -0.03 -0.05 -0.08 1.88 1.06 0.00 0.00 176.91 179.68 2jqt h TYR 40 N -0.08 -0.22 -0.17 -0.22 0.05 -1.66 0.86 116.97 115.54 2jqt h TYR 40 Ca 0.06 -0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.86 2jqt h TYR 40 Cb 0.16 0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2jqt h TYR 40 CO -0.18 -0.07 0.02 0.00 -1.05 0.00 0.00 178.16 176.88 2jqt h ARG 41 N -0.31 0.08 -0.00 4.88 3.08 -1.36 0.76 114.38 121.50 2jqt h ARG 41 Ca -0.02 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2jqt h ARG 41 Cb 0.24 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 2jqt h ARG 41 CO 0.04 0.05 -0.00 0.00 -1.07 0.00 0.00 179.97 178.99 2jqt h ALA 42 N 1.13 0.01 0.14 0.04 0.00 -0.39 -1.38 119.26 118.80 2jqt h ALA 42 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jqt h ALA 42 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jqt h ALA 42 CO -0.11 -0.27 -0.07 0.00 0.00 0.00 0.00 179.25 178.80 2jqt h ALA 43 N 0.57 -0.19 -0.90 0.00 0.00 0.85 0.59 119.26 120.17 2jqt h ALA 43 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jqt h ALA 43 Cb 0.44 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2jqt h ALA 43 CO 0.00 -0.58 0.59 -0.44 0.00 0.00 0.00 179.25 178.83 2jqt h ASP 44 N -0.26 0.98 0.04 0.00 5.19 0.46 0.82 116.42 123.66 2jqt h ASP 44 Ca -0.02 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2jqt h ASP 44 Cb 0.20 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2jqt h ASP 44 CO 0.03 0.68 -0.02 0.45 -3.12 0.00 0.00 179.24 177.27 2jqt h HIS 45 N 1.14 -0.05 -0.29 4.55 3.86 -1.00 -2.13 115.15 121.24 2jqt h HIS 45 Ca 0.35 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.54 2jqt h HIS 45 Cb -0.01 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2jqt h HIS 45 CO -0.00 0.58 0.08 -0.09 0.86 0.00 0.00 177.93 179.36 2jqt h ARG 46 N -0.73 0.46 -0.12 2.45 9.65 0.35 -0.77 114.38 125.66 2jqt h ARG 46 Ca -0.01 -0.10 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2jqt h ARG 46 Cb 0.64 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.15 2jqt h ARG 46 CO 0.01 0.52 0.05 -0.09 2.80 0.00 0.00 179.97 183.26 2jqt h ARG 47 N 0.31 0.11 -0.06 0.20 9.65 0.57 -1.42 114.38 123.73 2jqt h ARG 47 Ca 0.09 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 2jqt h ARG 47 Cb 0.26 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 2jqt h ARG 47 CO -0.00 0.07 -0.17 0.00 2.80 0.00 0.00 179.97 182.67 2jqt h ALA 48 N 1.07 1.62 -0.12 2.80 0.00 -1.32 -2.26 119.26 121.05 2jqt h ALA 48 Ca 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2jqt h ALA 48 Cb 0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jqt h ALA 48 CO -0.04 0.28 -0.03 0.93 0.00 0.00 0.00 179.25 180.39 2jqt h GLU 49 N 0.08 0.23 -0.87 0.00 5.08 -0.48 0.24 114.58 118.86 2jqt h GLU 49 Ca 0.02 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2jqt h GLU 49 Cb 0.35 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2jqt h GLU 49 CO 0.02 0.52 0.44 -0.07 -1.00 0.00 0.00 179.01 178.92 2jqt h LEU 50 N -0.08 1.12 -0.30 1.33 4.07 -1.05 0.14 115.31 120.54 2jqt h LEU 50 Ca 0.03 -0.13 -0.11 0.00 0.08 0.00 0.00 57.88 57.75 2jqt h LEU 50 Cb 0.44 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2jqt h LEU 50 CO 0.01 0.93 -0.26 0.58 -1.08 0.00 0.00 178.44 178.62 2jqt h VAL 51 N 1.23 1.30 -0.08 1.22 2.07 -1.36 -3.09 116.25 117.53 2jqt h VAL 51 Ca 0.30 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.30 2jqt h VAL 51 Cb 0.09 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2jqt h VAL 51 CO -0.04 0.45 -0.42 -1.28 0.02 0.00 0.00 177.57 176.30 2jqt h SER 52 N 0.46 0.20 -4.61 0.57 0.87 -0.70 -3.47 113.55 106.87 2jqt h SER 52 Ca 0.05 -0.08 0.27 0.00 -1.23 0.00 0.00 61.79 60.80 2jqt h SER 52 Cb 0.82 -0.05 -0.17 0.00 -0.44 0.00 0.00 62.40 62.55 2jqt h SER 52 CO 0.07 0.60 0.82 -0.83 -0.53 0.00 0.00 176.83 176.95 2jqt s GLY 53 N -4.25 -0.32 -0.35 5.77 0.00 0.46 -5.08 107.32 103.55 2jqt s GLY 53 Ca -0.04 1.38 -0.02 0.00 0.00 0.00 0.00 44.72 46.05 2jqt s GLY 53 CO 0.76 0.43 1.17 0.61 0.00 0.00 0.00 173.10 176.08 2jqt n GLY 54 N -0.19 -1.50 2.21 0.20 0.00 -1.26 -3.56 105.19 101.09 2jqt n GLY 54 Ca -0.02 0.90 -0.24 0.00 0.00 0.00 0.00 46.02 46.66 2jqt n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jqt n ARG 55 N 1.63 2.25 -3.70 1.61 1.74 -1.26 -4.77 116.66 114.16 2jqt n ARG 55 Ca 0.03 -2.95 -0.35 0.00 -0.77 0.00 0.00 57.85 53.81 2jqt n ARG 55 Cb 0.69 -2.16 -0.08 0.00 -1.02 0.00 0.00 32.46 29.89 2jqt n ARG 55 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jqt s LEU 56 N -3.25 5.33 0.00 0.55 1.43 -1.26 -5.33 118.68 116.15 2jqt s LEU 56 Ca 0.56 -3.44 0.00 0.00 -1.03 0.00 0.00 54.13 50.22 2jqt s LEU 56 Cb 0.47 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.84 2jqt s LEU 56 CO 0.10 -0.23 0.04 2.22 0.23 0.00 0.00 176.35 178.71