#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 2.67 -3.84 2.03 -2.24 -1.26 -4.98 114.28 106.67 2jqt n THR 2 Ca 0.00 -3.09 -0.13 0.00 -2.27 0.00 0.00 64.05 58.56 2jqt n THR 2 Cb 0.00 -0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 67.52 2jqt n THR 2 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jqt s VAL 3 N -3.70 -0.01 -0.39 2.28 1.01 -1.26 -5.06 120.40 113.27 2jqt s VAL 3 Ca 0.48 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.60 2jqt s VAL 3 Cb 0.42 -0.10 0.43 0.00 0.00 0.00 0.00 36.38 37.14 2jqt s VAL 3 CO 0.00 0.01 1.03 1.67 0.00 0.00 0.00 175.10 177.82 2jqt n GLN 4 N 3.24 2.43 -2.80 2.72 -0.06 -1.26 -5.07 117.38 116.58 2jqt n GLN 4 Ca -0.15 -3.97 -0.41 0.00 -2.00 0.00 0.00 57.00 50.47 2jqt n GLN 4 Cb 0.58 -1.82 -0.03 0.00 -4.06 0.00 0.00 30.24 24.91 2jqt n GLN 4 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2jqt s ASP 5 N -3.35 7.25 0.60 1.69 -1.08 -1.26 -4.93 116.67 115.60 2jqt s ASP 5 Ca 0.39 1.51 0.37 0.00 -0.52 0.00 0.00 52.55 54.31 2jqt s ASP 5 Cb 0.42 -2.53 1.93 0.00 -1.46 0.00 0.00 42.92 41.28 2jqt s ASP 5 CO -0.09 -0.25 2.21 0.22 0.52 0.00 0.00 175.17 177.78 2jqt h TYR 6 N 6.84 0.00 -0.55 -5.34 3.20 -2.01 -2.46 116.97 116.66 2jqt h TYR 6 Ca -0.39 0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.62 2jqt h TYR 6 Cb 1.20 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 2jqt h TYR 6 CO 0.68 0.02 0.39 -0.07 -1.64 0.00 0.00 178.16 177.54 2jqt h LEU 7 N 0.00 0.10 -0.89 2.82 3.38 -1.94 0.06 115.31 118.84 2jqt h LEU 7 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2jqt h LEU 7 Cb 0.20 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2jqt h LEU 7 CO 0.00 0.05 0.27 -0.07 0.09 0.00 0.00 178.44 178.78 2jqt h LEU 8 N 0.11 1.00 -0.56 1.67 3.38 -1.85 -1.69 115.31 117.36 2jqt h LEU 8 Ca 0.26 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 2jqt h LEU 8 Cb 0.90 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2jqt h LEU 8 CO -0.03 0.90 -0.55 0.11 0.09 0.00 0.00 178.44 178.96 2jqt h LYS 9 N 1.05 0.48 -0.48 1.13 6.56 -1.18 -3.11 116.57 121.02 2jqt h LYS 9 Ca 0.24 -0.30 -0.09 0.00 -1.06 0.00 0.00 60.65 59.43 2jqt h LYS 9 Cb 0.23 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.91 2jqt h LYS 9 CO -0.02 0.91 -0.08 0.35 -2.06 0.00 0.00 179.45 178.55 2jqt h PHE 10 N 0.37 0.94 -0.80 -1.35 3.04 -1.06 -2.81 116.94 115.26 2jqt h PHE 10 Ca 0.01 -0.17 0.03 0.00 3.98 0.00 0.00 57.97 61.82 2jqt h PHE 10 Cb 1.08 -0.24 -0.04 0.00 2.56 0.00 0.00 35.95 39.31 2jqt h PHE 10 CO 0.04 0.89 0.53 -0.09 -2.02 0.00 0.00 178.31 177.66 2jqt h ARG 11 N 0.78 0.99 0.00 1.11 2.43 -1.25 -0.89 114.38 117.55 2jqt h ARG 11 Ca 0.13 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2jqt h ARG 11 Cb 0.58 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2jqt h ARG 11 CO 0.04 0.65 -0.24 -0.22 -1.51 0.00 0.00 179.97 178.69 2jqt h LYS 12 N 1.02 0.00 -6.69 0.20 1.63 -1.49 -3.43 116.57 107.81 2jqt h LYS 12 Ca 0.31 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.59 2jqt h LYS 12 Cb -0.00 0.00 0.06 0.00 -0.60 0.00 0.00 32.23 31.69 2jqt h LYS 12 CO -0.09 0.24 0.93 0.42 -3.45 0.00 0.00 179.45 177.50 2jqt s ILE 13 N -4.13 2.24 -0.08 2.00 1.01 -0.34 -4.90 121.20 117.00 2jqt s ILE 13 Ca -0.02 0.18 0.04 0.00 0.00 0.00 0.00 60.65 60.85 2jqt s ILE 13 Cb 0.13 -3.12 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 2jqt s ILE 13 CO 0.66 0.02 -0.02 -1.20 0.00 0.00 0.00 174.94 174.40 2jqt n SER 14 N 3.37 3.19 -4.76 3.58 7.64 -1.26 -5.00 113.62 120.37 2jqt n SER 14 Ca 0.13 -0.02 -0.40 0.00 1.01 0.00 0.00 58.87 59.59 2jqt n SER 14 Cb 0.37 0.37 -0.05 0.00 -1.01 0.00 0.00 64.21 63.89 2jqt n SER 14 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jqt s SER 15 N -4.30 7.29 0.40 6.43 0.01 -1.26 -4.96 113.70 117.32 2jqt s SER 15 Ca -0.07 1.54 0.18 0.00 1.31 0.00 0.00 55.95 58.91 2jqt s SER 15 Cb 0.03 -2.48 0.87 0.00 0.21 0.00 0.00 66.02 64.64 2jqt s SER 15 CO 0.27 0.10 1.85 -0.07 0.41 0.00 0.00 173.24 175.81 2jqt h LEU 16 N 5.06 0.00 -0.74 2.44 3.38 -2.02 -3.03 115.31 120.40 2jqt h LEU 16 Ca -0.45 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.58 2jqt h LEU 16 Cb 1.21 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2jqt h LEU 16 CO 0.69 0.32 0.42 -0.33 0.09 0.00 0.00 178.44 179.63 2jqt h GLU 17 N 0.00 0.74 -0.05 1.13 3.07 -2.02 -0.16 114.58 117.28 2jqt h GLU 17 Ca -0.00 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2jqt h GLU 17 Cb 0.67 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 2jqt h GLU 17 CO 0.04 0.49 0.05 1.03 -1.40 0.00 0.00 179.01 179.22 2jqt h SER 18 N 0.76 0.00 0.32 1.42 0.87 -1.95 -2.67 113.55 112.31 2jqt h SER 18 Ca 0.34 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 2jqt h SER 18 Cb 0.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2jqt h SER 18 CO -0.20 0.00 -0.29 0.25 -0.53 0.00 0.00 176.83 176.06 2jqt h LEU 19 N 0.00 -0.78 -1.53 2.23 6.46 -1.14 0.57 115.31 121.11 2jqt h LEU 19 Ca 0.02 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2jqt h LEU 19 Cb 0.13 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 2jqt h LEU 19 CO -0.00 -0.43 -0.09 1.05 -0.62 0.00 0.00 178.44 178.36 2jqt h GLU 20 N -0.63 0.19 0.01 1.25 4.11 -1.55 -1.79 114.58 116.17 2jqt h GLU 20 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 2jqt h GLU 20 Cb 0.57 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2jqt h GLU 20 CO -0.04 0.29 -0.00 0.87 0.07 0.00 0.00 179.01 180.20 2jqt h LYS 21 N 0.18 -0.01 -0.22 1.06 6.56 -1.25 -2.34 116.57 120.55 2jqt h LYS 21 Ca 0.04 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.64 2jqt h LYS 21 Cb 0.28 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 2jqt h LYS 21 CO 0.01 0.59 0.15 1.25 -2.06 0.00 0.00 179.45 179.39 2jqt h LEU 22 N -0.63 0.22 0.44 2.94 6.46 0.28 0.16 115.31 125.19 2jqt h LEU 22 Ca -0.00 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2jqt h LEU 22 Cb 0.61 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2jqt h LEU 22 CO 0.00 0.16 -0.21 0.22 -0.62 0.00 0.00 178.44 177.99 2jqt h TYR 23 N 0.26 -0.55 -0.12 1.25 3.20 -1.32 -0.54 116.97 119.15 2jqt h TYR 23 Ca 0.09 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 2jqt h TYR 23 Cb 0.03 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2jqt h TYR 23 CO -0.00 -0.29 0.04 0.22 -1.64 0.00 0.00 178.16 176.49 2jqt h ASP 24 N -1.11 0.15 0.17 -2.11 3.58 -1.27 0.82 116.42 116.64 2jqt h ASP 24 Ca -0.06 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2jqt h ASP 24 Cb 0.51 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2jqt h ASP 24 CO 0.10 0.14 -0.08 -0.74 -2.88 0.00 0.00 179.24 175.78 2jqt h HIS 25 N 0.17 -0.21 -0.02 0.28 2.76 -0.71 -2.03 115.15 115.40 2jqt h HIS 25 Ca 0.04 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.09 2jqt h HIS 25 Cb 0.05 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 2jqt h HIS 25 CO 0.00 0.23 -0.56 -0.07 -1.30 0.00 0.00 177.93 176.22 2jqt h LEU 26 N -0.80 0.06 -1.00 0.26 -0.00 -0.88 -1.63 115.31 111.31 2jqt h LEU 26 Ca -0.02 -0.03 -0.06 0.00 -0.00 0.00 0.00 57.88 57.76 2jqt h LEU 26 Cb 0.53 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2jqt h LEU 26 CO 0.04 0.61 -0.30 -1.13 -0.00 0.00 0.00 178.44 177.65 2jqt h ASN 27 N 0.04 0.00 0.58 -0.43 -0.73 0.60 -3.07 115.58 112.56 2jqt h ASN 27 Ca -0.00 0.00 -0.21 0.00 1.87 0.00 0.00 56.30 57.95 2jqt h ASN 27 Cb 1.01 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.56 2jqt h ASN 27 CO 0.08 0.30 -1.58 -1.22 -0.37 0.00 0.00 177.43 174.64 2jqt n TYR 28 N -3.46 0.90 0.00 0.67 4.02 -0.76 -2.66 117.16 115.87 2jqt n TYR 28 Ca -0.00 0.31 0.00 0.00 -0.01 0.00 0.00 57.90 58.20 2jqt n TYR 28 Cb 0.47 -1.10 0.00 0.00 -0.02 0.00 0.00 39.34 38.70 2jqt n TYR 28 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2jqt n THR 29 N -2.91 0.00 -0.05 -0.72 -2.24 -0.63 -4.46 114.28 103.27 2jqt n THR 29 Ca -0.13 1.12 -0.13 0.00 -2.27 0.00 0.00 64.05 62.64 2jqt n THR 29 Cb 0.91 -2.04 -0.14 0.00 -2.10 0.00 0.00 70.33 66.96 2jqt n THR 29 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2jqt n LEU 30 N -1.32 1.27 -2.06 3.22 4.77 -1.20 -4.98 117.00 116.70 2jqt n LEU 30 Ca 0.00 0.18 -0.19 0.00 -0.03 0.00 0.00 56.01 55.98 2jqt n LEU 30 Cb 0.00 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 2jqt n LEU 30 CO 0.00 0.59 -0.23 0.41 -1.33 0.00 0.00 177.39 176.82 2jqt n THR 31 N -3.08 -0.78 -2.96 -5.08 -1.04 -1.09 -4.99 114.28 95.27 2jqt n THR 31 Ca -0.28 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.55 2jqt n THR 31 Cb 1.07 -2.62 0.01 0.00 -1.82 0.00 0.00 70.33 66.97 2jqt n THR 31 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2jqt s ASP 32 N -2.23 5.60 0.49 8.00 1.01 -1.26 -5.00 116.67 123.28 2jqt s ASP 32 Ca 0.00 -0.36 0.26 0.00 0.71 0.00 0.00 52.55 53.16 2jqt s ASP 32 Cb 0.00 -0.70 1.26 0.00 1.01 0.00 0.00 42.92 44.49 2jqt s ASP 32 CO 0.00 -0.82 1.98 -0.78 0.21 0.00 0.00 175.17 175.77 2jqt h ASP 33 N 0.56 0.00 0.06 0.27 3.58 -1.99 -3.19 116.42 115.70 2jqt h ASP 33 Ca -0.40 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.07 2jqt h ASP 33 Cb 1.28 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 2jqt h ASP 33 CO 0.46 0.17 -0.47 1.56 -2.88 0.00 0.00 179.24 178.08 2jqt h GLN 34 N 0.00 -0.63 -0.05 0.28 7.50 -1.99 0.47 115.11 120.69 2jqt h GLN 34 Ca -0.00 0.04 -0.06 0.00 0.50 0.00 0.00 58.65 59.13 2jqt h GLN 34 Cb 0.48 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.15 2jqt h GLN 34 CO 0.02 -0.42 -0.25 1.05 -1.50 0.00 0.00 178.83 177.73 2jqt h GLU 35 N -0.66 0.08 -0.46 1.46 9.09 -1.91 -1.18 114.58 121.00 2jqt h GLU 35 Ca 0.02 -0.02 -0.10 0.00 0.05 0.00 0.00 59.36 59.31 2jqt h GLU 35 Cb 0.70 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.78 2jqt h GLU 35 CO -0.30 0.33 -0.12 1.25 0.05 0.00 0.00 179.01 180.22 2jqt h LEU 36 N 0.07 0.90 -0.50 3.06 6.46 -1.28 0.17 115.31 124.19 2jqt h LEU 36 Ca 0.01 -0.36 -0.14 0.00 -0.12 0.00 0.00 57.88 57.26 2jqt h LEU 36 Cb 0.48 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.15 2jqt h LEU 36 CO 0.03 1.06 -0.68 -0.29 -0.62 0.00 0.00 178.44 177.94 2jqt h ILE 37 N 0.73 1.38 0.02 4.05 2.10 0.20 -2.86 117.51 123.13 2jqt h ILE 37 Ca 0.12 -2.41 -0.05 0.00 1.08 0.00 0.00 64.86 63.60 2jqt h ILE 37 Cb 0.67 2.34 0.00 0.00 -1.09 0.00 0.00 36.82 38.74 2jqt h ILE 37 CO 0.05 0.67 -0.19 0.78 -1.08 0.00 0.00 178.15 178.37 2jqt h ASN 38 N 0.00 0.13 -0.21 2.19 2.35 -1.07 -3.08 115.58 115.89 2jqt h ASN 38 Ca -0.01 -0.89 0.03 0.00 -0.55 0.00 0.00 56.30 54.88 2jqt h ASN 38 Cb 1.28 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.60 2jqt h ASN 38 CO 0.09 1.01 0.14 0.24 -1.65 0.00 0.00 177.43 177.26 2jqt h MET 39 N -0.73 0.16 -0.22 0.81 2.86 -0.75 0.72 114.93 117.78 2jqt h MET 39 Ca -0.03 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2jqt h MET 39 Cb 1.06 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 2jqt h MET 39 CO 0.04 0.11 -0.13 -0.92 1.06 0.00 0.00 176.91 177.07 2jqt h TYR 40 N 0.17 0.56 -0.11 -0.22 5.03 -1.57 0.51 116.97 121.33 2jqt h TYR 40 Ca 0.09 -0.14 -0.05 0.00 2.58 0.00 0.00 58.73 61.20 2jqt h TYR 40 Cb 0.15 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.30 2jqt h TYR 40 CO -0.00 0.77 -0.13 0.00 -1.32 0.00 0.00 178.16 177.48 2jqt h ARG 41 N 0.18 0.28 -0.44 1.82 -0.00 -1.29 -1.77 114.38 113.15 2jqt h ARG 41 Ca 0.05 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.98 59.35 2jqt h ARG 41 Cb 0.63 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.59 2jqt h ARG 41 CO 0.04 0.71 0.20 0.00 0.00 0.00 0.00 179.97 180.91 2jqt h ALA 42 N 0.57 0.57 -0.75 0.04 0.00 -0.93 0.14 119.26 118.89 2jqt h ALA 42 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2jqt h ALA 42 Cb 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jqt h ALA 42 CO 0.03 0.15 0.33 0.00 0.00 0.00 0.00 179.25 179.76 2jqt h ALA 43 N 1.04 0.97 -0.27 0.00 0.00 -0.93 0.11 119.26 120.19 2jqt h ALA 43 Ca 0.15 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2jqt h ALA 43 Cb 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2jqt h ALA 43 CO -0.02 0.56 -0.29 0.22 0.00 0.00 0.00 179.25 179.73 2jqt h ASP 44 N 1.07 0.71 -0.29 0.00 3.58 -1.08 -1.55 116.42 118.86 2jqt h ASP 44 Ca 0.25 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 2jqt h ASP 44 Cb 0.16 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2jqt h ASP 44 CO -0.03 1.05 0.12 -0.74 -2.88 0.00 0.00 179.24 176.76 2jqt h HIS 45 N 0.39 0.43 -0.62 0.28 2.76 -0.55 0.35 115.15 118.19 2jqt h HIS 45 Ca 0.04 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.14 2jqt h HIS 45 Cb 0.86 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.66 2jqt h HIS 45 CO 0.07 0.43 0.23 0.00 -1.30 0.00 0.00 177.93 177.37 2jqt h ARG 46 N 0.32 0.94 -0.31 5.26 -0.00 -0.99 0.70 114.38 120.30 2jqt h ARG 46 Ca 0.10 -0.18 -0.12 0.00 -0.50 0.00 0.00 59.98 59.27 2jqt h ARG 46 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 2jqt h ARG 46 CO -0.01 0.81 -0.28 -0.09 0.00 0.00 0.00 179.97 180.40 2jqt h ARG 47 N 0.88 0.73 -0.11 0.04 9.65 -1.11 -1.51 114.38 122.96 2jqt h ARG 47 Ca 0.21 -0.38 -0.18 0.00 -1.10 0.00 0.00 59.98 58.53 2jqt h ARG 47 Cb 0.23 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2jqt h ARG 47 CO -0.01 1.00 -0.68 0.00 2.80 0.00 0.00 179.97 183.08 2jqt h ALA 48 N 0.72 0.61 -0.45 2.80 0.00 -0.15 -2.15 119.26 120.65 2jqt h ALA 48 Ca 0.05 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2jqt h ALA 48 Cb 0.85 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2jqt h ALA 48 CO 0.07 0.73 -0.17 0.93 0.00 0.00 0.00 179.25 180.81 2jqt h GLU 49 N 0.33 0.91 -0.23 0.00 4.39 0.44 0.33 114.58 120.76 2jqt h GLU 49 Ca -0.02 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.23 2jqt h GLU 49 Cb 1.25 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2jqt h GLU 49 CO 0.12 1.03 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.82 2jqt h LEU 50 N 0.75 0.50 -0.60 1.33 3.38 -1.27 0.80 115.31 120.19 2jqt h LEU 50 Ca 0.11 -0.41 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 2jqt h LEU 50 Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2jqt h LEU 50 CO 0.06 0.80 -0.59 1.62 0.09 0.00 0.00 178.44 180.41 2jqt h VAL 51 N 0.19 1.36 -0.80 1.22 3.04 -1.37 -3.08 116.25 116.82 2jqt h VAL 51 Ca 0.05 -1.92 -0.40 0.00 -1.01 0.00 0.00 66.70 63.42 2jqt h VAL 51 Cb 0.62 1.93 -0.24 0.00 -2.01 0.00 0.00 31.29 31.59 2jqt h VAL 51 CO 0.03 0.58 0.42 -0.24 -1.01 0.00 0.00 177.57 177.35 2jqt n SER 52 N -3.90 3.54 0.00 3.17 2.88 0.12 -4.77 113.62 114.66 2jqt n SER 52 Ca -0.03 -3.61 0.00 0.00 -1.33 0.00 0.00 58.87 53.91 2jqt n SER 52 Cb 0.62 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 2jqt n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jqt n GLY 53 N -1.03 0.66 3.37 0.46 0.00 0.27 -4.88 105.19 104.04 2jqt n GLY 53 Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.48 2jqt n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jqt s GLY 54 N -0.84 -0.58 0.26 -0.02 0.00 -1.25 -5.08 107.32 99.82 2jqt s GLY 54 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 44.72 46.24 2jqt s GLY 54 CO 0.00 2.79 1.42 0.50 0.00 0.00 0.00 173.10 177.81 2jqt s ARG 55 N 2.74 4.28 0.02 2.90 1.81 -1.26 -5.02 118.95 124.43 2jqt s ARG 55 Ca 0.00 2.28 0.03 0.00 -1.72 0.00 0.00 55.73 56.32 2jqt s ARG 55 Cb -0.13 -3.11 -0.04 0.00 -0.45 0.00 0.00 34.95 31.23 2jqt s ARG 55 CO -0.16 -0.38 -0.01 -0.51 -0.68 0.00 0.00 175.30 173.55 2jqt s LEU 56 N -0.58 3.42 0.00 2.53 1.43 -1.26 -5.25 118.68 118.98 2jqt s LEU 56 Ca 0.58 -0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.65 2jqt s LEU 56 Cb -0.41 -2.02 0.05 0.00 0.03 0.00 0.00 46.19 43.84 2jqt s LEU 56 CO 0.45 0.25 0.69 0.49 0.23 0.00 0.00 176.35 178.46