#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 0.20 -4.13 2.03 1.35 -2.04 -3.46 112.91 106.86 2jqt h THR 2 Ca 0.00 -0.51 -0.51 0.00 -0.55 0.00 0.00 66.41 64.84 2jqt h THR 2 Cb 0.00 0.30 -0.26 0.00 -1.73 0.00 0.00 68.15 66.46 2jqt h THR 2 CO 0.00 0.04 -0.82 -0.69 -0.25 0.00 0.00 175.52 173.80 2jqt s VAL 3 N -4.16 1.33 -0.63 6.82 1.01 -1.26 -5.10 120.40 118.42 2jqt s VAL 3 Ca -0.12 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 2jqt s VAL 3 Cb 0.01 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.26 2jqt s VAL 3 CO 0.39 0.15 1.13 -1.10 0.00 0.00 0.00 175.10 175.67 2jqt s GLN 4 N -0.99 3.33 0.18 2.72 1.11 -1.26 -4.77 119.66 119.98 2jqt s GLN 4 Ca 0.05 -0.14 -0.01 0.00 0.01 0.00 0.00 55.36 55.26 2jqt s GLN 4 Cb -0.08 -4.10 0.01 0.00 -1.01 0.00 0.00 33.01 27.83 2jqt s GLN 4 CO 0.01 -1.78 0.25 -3.47 0.01 0.00 0.00 175.29 170.31 2jqt n ASP 5 N 8.38 -0.71 0.26 5.90 -0.08 -1.26 -5.03 116.55 124.01 2jqt n ASP 5 Ca 0.04 -1.92 0.10 0.00 -1.51 0.00 0.00 54.79 51.50 2jqt n ASP 5 Cb 0.48 1.31 0.72 0.00 2.34 0.00 0.00 41.12 45.97 2jqt n ASP 5 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2jqt h TYR 6 N 1.50 0.00 -0.30 -0.67 -1.99 -2.01 -1.34 116.97 112.15 2jqt h TYR 6 Ca -0.14 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.66 2jqt h TYR 6 Cb 0.59 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.30 2jqt h TYR 6 CO 0.00 0.00 0.21 -0.07 -0.00 0.00 0.00 178.16 178.30 2jqt h LEU 7 N 0.00 0.08 -0.86 3.88 -0.00 -1.93 -0.66 115.31 115.81 2jqt h LEU 7 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.79 2jqt h LEU 7 Cb 0.04 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.67 2jqt h LEU 7 CO -0.00 0.05 -0.19 0.25 -0.00 0.00 0.00 178.44 178.54 2jqt h LEU 8 N 0.09 0.63 0.18 1.67 6.46 -1.54 -0.95 115.31 121.85 2jqt h LEU 8 Ca 0.14 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 2jqt h LEU 8 Cb 0.45 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.21 2jqt h LEU 8 CO -0.01 0.83 -0.09 0.50 -0.62 0.00 0.00 178.44 179.05 2jqt h LYS 9 N 0.56 -0.23 -0.20 1.25 3.64 -1.24 -1.74 116.57 118.61 2jqt h LYS 9 Ca 0.09 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2jqt h LYS 9 Cb 0.65 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jqt h LYS 9 CO 0.05 0.15 0.06 0.35 -2.27 0.00 0.00 179.45 177.79 2jqt h PHE 10 N -0.68 0.27 -0.07 1.91 3.04 -1.46 -1.64 116.94 118.30 2jqt h PHE 10 Ca -0.02 -0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.78 2jqt h PHE 10 Cb 0.49 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 2jqt h PHE 10 CO 0.05 0.23 -0.58 -0.09 -2.02 0.00 0.00 178.31 175.91 2jqt h ARG 11 N 0.28 0.23 0.00 1.11 2.43 -1.12 -2.80 114.38 114.51 2jqt h ARG 11 Ca 0.07 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2jqt h ARG 11 Cb 0.09 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2jqt h ARG 11 CO -0.01 0.75 0.00 1.17 -1.51 0.00 0.00 179.97 180.37 2jqt n LYS 12 N -3.89 0.21 -1.70 0.20 3.00 -0.64 -4.83 118.16 110.52 2jqt n LYS 12 Ca -0.02 0.37 -0.40 0.00 -0.00 0.00 0.00 58.31 58.26 2jqt n LYS 12 Cb 0.60 -1.86 0.02 0.00 0.00 0.00 0.00 35.03 33.79 2jqt n LYS 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2jqt n ILE 13 N -2.25 2.82 -0.09 3.15 5.41 -1.06 -4.96 119.36 122.38 2jqt n ILE 13 Ca 0.03 -0.50 -0.18 0.00 1.00 0.00 0.00 62.75 63.10 2jqt n ILE 13 Cb 0.28 -1.54 -0.06 0.00 -0.71 0.00 0.00 39.64 37.61 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 -0.03 1.59 -4.76 4.38 7.64 -1.26 -4.98 113.62 116.19 2jqt n SER 14 Ca 0.08 0.27 -0.40 0.00 1.01 0.00 0.00 58.87 59.83 2jqt n SER 14 Cb 0.41 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 2jqt n SER 14 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jqt s SER 15 N -6.59 7.29 0.45 6.43 0.15 -1.26 -4.95 113.70 115.22 2jqt s SER 15 Ca -0.27 1.53 0.23 0.00 0.70 0.00 0.00 55.95 58.14 2jqt s SER 15 Cb 0.09 -2.48 1.06 0.00 -1.71 0.00 0.00 66.02 62.98 2jqt s SER 15 CO 0.36 0.11 1.91 0.25 1.20 0.00 0.00 173.24 177.06 2jqt h LEU 16 N 5.05 0.00 -1.61 3.45 6.46 -2.02 -2.87 115.31 123.77 2jqt h LEU 16 Ca -0.45 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.40 2jqt h LEU 16 Cb 1.21 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.10 2jqt h LEU 16 CO 0.69 0.23 0.41 -0.08 -0.62 0.00 0.00 178.44 179.06 2jqt h GLU 17 N 0.00 0.42 0.00 1.25 4.81 -2.03 0.90 114.58 119.93 2jqt h GLU 17 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jqt h GLU 17 Cb 0.60 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 2jqt h GLU 17 CO 0.03 0.28 -0.02 1.03 -0.73 0.00 0.00 179.01 179.60 2jqt h SER 18 N 0.44 0.00 0.26 1.04 0.87 -1.92 -2.93 113.55 111.31 2jqt h SER 18 Ca 0.28 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2jqt h SER 18 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2jqt h SER 18 CO -0.08 0.02 -0.29 0.25 -0.53 0.00 0.00 176.83 176.20 2jqt h LEU 19 N 0.00 -0.79 -1.58 2.23 6.46 -0.99 0.31 115.31 120.94 2jqt h LEU 19 Ca -0.00 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.82 2jqt h LEU 19 Cb 0.06 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2jqt h LEU 19 CO 0.00 -0.37 0.22 1.05 -0.62 0.00 0.00 178.44 178.72 2jqt h GLU 20 N -0.55 0.50 0.07 1.25 4.11 -1.69 -1.84 114.58 116.43 2jqt h GLU 20 Ca -0.03 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2jqt h GLU 20 Cb 0.49 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jqt h GLU 20 CO -0.05 0.35 -0.03 0.87 0.07 0.00 0.00 179.01 180.22 2jqt h LYS 21 N 0.51 -0.09 -0.17 1.06 6.56 -1.28 -2.27 116.57 120.89 2jqt h LYS 21 Ca 0.13 0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.70 2jqt h LYS 21 Cb -0.01 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 2jqt h LYS 21 CO -0.02 0.07 -0.05 1.25 -2.06 0.00 0.00 179.45 178.64 2jqt h LEU 22 N -0.23 0.24 -0.04 2.94 6.46 -0.04 0.37 115.31 124.99 2jqt h LEU 22 Ca -0.01 -0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2jqt h LEU 22 Cb 0.20 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 2jqt h LEU 22 CO 0.02 0.33 0.02 0.22 -0.62 0.00 0.00 178.44 178.40 2jqt h TYR 23 N 0.25 0.07 0.11 1.25 5.03 -1.04 0.80 116.97 123.43 2jqt h TYR 23 Ca 0.06 -0.00 -0.29 0.00 2.58 0.00 0.00 58.73 61.07 2jqt h TYR 23 Cb 0.25 -0.02 0.03 0.00 1.55 0.00 0.00 36.73 38.54 2jqt h TYR 23 CO 0.00 0.16 -1.23 -0.44 -1.32 0.00 0.00 178.16 175.34 2jqt h ASP 24 N -0.05 0.85 0.39 -2.11 5.19 -1.16 -3.00 116.42 116.53 2jqt h ASP 24 Ca 0.02 -0.78 -0.02 0.00 -0.62 0.00 0.00 57.03 55.63 2jqt h ASP 24 Cb 0.12 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.37 2jqt h ASP 24 CO -0.00 1.59 -0.19 -0.74 -3.12 0.00 0.00 179.24 176.78 2jqt h HIS 25 N 0.28 -0.48 -0.23 4.55 2.76 -0.26 0.16 115.15 121.92 2jqt h HIS 25 Ca -0.18 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.01 2jqt h HIS 25 Cb 1.90 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 31.00 2jqt h HIS 25 CO 0.11 -0.28 0.16 1.25 -1.30 0.00 0.00 177.93 177.87 2jqt h LEU 26 N -0.55 0.14 -0.43 0.26 5.85 -0.96 -0.84 115.31 118.78 2jqt h LEU 26 Ca -0.05 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 2jqt h LEU 26 Cb 0.42 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2jqt h LEU 26 CO 0.09 0.10 -0.79 -1.13 -0.34 0.00 0.00 178.44 176.37 2jqt h ASN 27 N 0.16 0.09 -0.91 1.25 -1.24 -1.30 -2.98 115.58 110.65 2jqt h ASN 27 Ca 0.10 -0.07 -0.54 0.00 0.71 0.00 0.00 56.30 56.50 2jqt h ASN 27 Cb 0.19 -0.03 -0.27 0.00 0.73 0.00 0.00 38.32 38.94 2jqt h ASN 27 CO -0.02 0.84 0.70 -1.22 -1.29 0.00 0.00 177.43 176.44 2jqt n TYR 28 N -3.65 2.87 0.11 0.67 4.02 0.01 -3.31 117.16 117.87 2jqt n TYR 28 Ca -0.02 -2.27 0.00 0.00 -0.01 0.00 0.00 57.90 55.61 2jqt n TYR 28 Cb 0.75 -1.12 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 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 -0.85 0.04 -0.06 -0.72 -2.24 -1.07 -4.95 114.28 104.43 2jqt n THR 29 Ca 0.56 0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 62.33 2jqt n THR 29 Cb 1.12 -0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 68.77 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 -3.27 0.00 -3.93 3.22 4.77 -1.13 -4.99 117.00 111.67 2jqt n LEU 30 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 2jqt n LEU 30 Cb 0.00 0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 2jqt n LEU 30 CO 0.00 0.30 -0.05 1.07 -1.33 0.00 0.00 177.39 177.37 2jqt n THR 31 N -2.52 -0.72 -4.18 -5.08 5.66 -1.21 -4.93 114.28 101.30 2jqt n THR 31 Ca -0.21 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.55 2jqt n THR 31 Cb 0.90 -1.35 -0.06 0.00 -1.55 0.00 0.00 70.33 68.28 2jqt n THR 31 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2jqt s ASP 32 N -3.03 5.09 0.60 1.09 1.01 -1.26 -5.00 116.67 115.17 2jqt s ASP 32 Ca 0.62 -0.36 0.31 0.00 0.71 0.00 0.00 52.55 53.83 2jqt s ASP 32 Cb -0.34 -1.17 1.82 0.00 1.01 0.00 0.00 42.92 44.24 2jqt s ASP 32 CO 0.76 0.03 2.20 0.44 0.21 0.00 0.00 175.17 178.81 2jqt h ASP 33 N 2.10 0.00 -0.55 0.27 5.19 -2.01 -2.17 116.42 119.24 2jqt h ASP 33 Ca -0.47 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 55.99 2jqt h ASP 33 Cb 1.22 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.69 2jqt h ASP 33 CO 0.60 0.00 0.29 0.06 -3.12 0.00 0.00 179.24 177.08 2jqt h GLN 34 N 0.00 0.55 -0.07 3.56 3.07 -1.99 -1.21 115.11 119.02 2jqt h GLN 34 Ca 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.72 2jqt h GLN 34 Cb 0.20 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.63 2jqt h GLN 34 CO -0.00 0.36 -0.03 1.05 0.09 0.00 0.00 178.83 180.30 2jqt h GLU 35 N 0.56 0.09 -0.23 0.06 -0.00 -1.75 0.14 114.58 113.46 2jqt h GLU 35 Ca 0.24 -0.01 -0.07 0.00 -0.00 0.00 0.00 59.36 59.52 2jqt h GLU 35 Cb 0.13 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.85 2jqt h GLU 35 CO -0.15 0.13 -0.11 -0.07 -0.00 0.00 0.00 179.01 178.80 2jqt h LEU 36 N 0.09 0.50 -0.33 3.06 3.38 -1.31 0.24 115.31 120.94 2jqt h LEU 36 Ca 0.02 -0.41 -0.19 0.00 0.09 0.00 0.00 57.88 57.39 2jqt h LEU 36 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jqt h LEU 36 CO 0.00 0.80 -0.83 -0.29 0.09 0.00 0.00 178.44 178.21 2jqt h ILE 37 N 0.20 1.46 0.09 1.22 2.10 -0.99 -2.55 117.51 119.03 2jqt h ILE 37 Ca 0.05 -2.46 -0.00 0.00 1.08 0.00 0.00 64.86 63.53 2jqt h ILE 37 Cb 0.62 2.36 0.00 0.00 -1.09 0.00 0.00 36.82 38.71 2jqt h ILE 37 CO 0.03 0.72 -0.04 0.78 -1.08 0.00 0.00 178.15 178.57 2jqt h ASN 38 N 0.15 -0.10 -0.32 2.19 2.35 -0.72 -1.76 115.58 117.38 2jqt h ASN 38 Ca -0.04 -0.44 0.02 0.00 -0.55 0.00 0.00 56.30 55.28 2jqt h ASN 38 Cb 1.44 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.81 2jqt h ASN 38 CO 0.13 0.43 0.17 0.24 -1.65 0.00 0.00 177.43 176.75 2jqt h MET 39 N -0.66 0.34 0.21 0.81 2.86 -1.04 0.19 114.93 117.64 2jqt h MET 39 Ca -0.01 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2jqt h MET 39 Cb 0.54 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2jqt h MET 39 CO 0.02 0.22 -0.10 -0.92 1.06 0.00 0.00 176.91 177.19 2jqt h TYR 40 N 0.35 -0.26 -0.08 -0.22 3.20 -1.53 0.80 116.97 119.22 2jqt h TYR 40 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.00 2jqt h TYR 40 Cb 0.03 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2jqt h TYR 40 CO -0.09 -0.15 0.04 0.00 -1.64 0.00 0.00 178.16 176.32 2jqt h ARG 41 N -0.29 0.09 -0.45 1.82 3.08 -1.14 0.61 114.38 118.09 2jqt h ARG 41 Ca -0.03 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2jqt h ARG 41 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2jqt h ARG 41 CO 0.05 0.06 0.06 0.00 -1.07 0.00 0.00 179.97 179.06 2jqt h ALA 42 N 1.04 0.60 -0.14 0.04 0.00 -0.52 -1.03 119.26 119.25 2jqt h ALA 42 Ca 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2jqt h ALA 42 Cb -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2jqt h ALA 42 CO -0.02 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 179.56 2jqt h ALA 43 N 0.94 0.19 0.11 0.00 0.00 0.82 -0.52 119.26 120.80 2jqt h ALA 43 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jqt h ALA 43 Cb 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jqt h ALA 43 CO 0.01 -0.10 -0.07 -0.44 0.00 0.00 0.00 179.25 178.65 2jqt h ASP 44 N -0.03 -0.19 -0.35 0.00 3.32 0.25 0.43 116.42 119.85 2jqt h ASP 44 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2jqt h ASP 44 Cb 0.40 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2jqt h ASP 44 CO 0.01 -0.12 0.22 -0.74 -1.72 0.00 0.00 179.24 176.89 2jqt h HIS 45 N -0.19 0.45 -0.20 4.55 2.76 -1.21 0.16 115.15 121.46 2jqt h HIS 45 Ca -0.01 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2jqt h HIS 45 Cb 0.16 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 2jqt h HIS 45 CO -0.09 0.30 0.07 -0.09 -1.30 0.00 0.00 177.93 176.82 2jqt h ARG 46 N 0.46 0.31 -0.51 5.26 2.43 -0.91 -2.00 114.38 119.42 2jqt h ARG 46 Ca 0.13 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2jqt h ARG 46 Cb -0.02 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 2jqt h ARG 46 CO -0.03 0.41 0.32 -0.09 -1.51 0.00 0.00 179.97 179.07 2jqt h ARG 47 N 0.16 0.63 -0.20 0.20 9.65 0.03 -0.57 114.38 124.26 2jqt h ARG 47 Ca 0.07 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 2jqt h ARG 47 Cb 0.22 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2jqt h ARG 47 CO -0.00 0.41 0.08 0.00 2.80 0.00 0.00 179.97 183.26 2jqt h ALA 48 N 1.21 0.23 -0.06 2.80 0.00 -0.85 -0.86 119.26 121.73 2jqt h ALA 48 Ca 0.20 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2jqt h ALA 48 Cb -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2jqt h ALA 48 CO -0.07 -0.35 -0.17 0.93 0.00 0.00 0.00 179.25 179.60 2jqt h GLU 49 N 0.18 0.09 -0.28 0.00 4.39 -1.09 0.21 114.58 118.08 2jqt h GLU 49 Ca 0.09 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 2jqt h GLU 49 Cb 0.05 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2jqt h GLU 49 CO -0.08 0.27 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.71 2jqt h LEU 50 N 0.09 0.71 0.07 1.33 3.38 -0.33 0.43 115.31 120.99 2jqt h LEU 50 Ca 0.02 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2jqt h LEU 50 Cb 0.35 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jqt h LEU 50 CO 0.02 1.02 -0.03 0.58 0.09 0.00 0.00 178.44 180.12 2jqt h VAL 51 N 0.41 0.96 -0.13 1.22 2.07 -0.86 -3.32 116.25 116.60 2jqt h VAL 51 Ca 0.05 -1.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.00 2jqt h VAL 51 Cb 0.81 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2jqt h VAL 51 CO 0.06 0.29 -0.25 0.28 0.02 0.00 0.00 177.57 177.98 2jqt h SER 52 N -0.94 0.22 0.00 0.57 0.02 -0.71 -3.46 113.55 109.26 2jqt h SER 52 Ca -0.01 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2jqt h SER 52 Cb 0.55 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2jqt h SER 52 CO 0.02 0.48 0.00 0.61 -1.14 0.00 0.00 176.83 176.80 2jqt n GLY 53 N -0.58 0.28 3.47 -3.77 0.00 0.15 -4.56 105.19 100.19 2jqt n GLY 53 Ca -0.01 0.67 -0.14 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 -0.44 -0.03 -0.02 0.00 -1.26 -4.90 107.32 100.67 2jqt s GLY 54 Ca 0.00 1.46 -0.03 0.00 0.00 0.00 0.00 44.72 46.15 2jqt s GLY 54 CO 0.00 1.20 0.06 -2.13 0.00 0.00 0.00 173.10 172.24 2jqt n ARG 55 N 2.23 -4.98 0.02 2.90 0.63 -1.26 -5.05 116.66 111.15 2jqt n ARG 55 Ca -0.16 3.65 -0.01 0.00 -0.92 0.00 0.00 57.85 60.42 2jqt n ARG 55 Cb 0.56 -4.75 -0.00 0.00 0.45 0.00 0.00 32.46 28.72 2jqt n ARG 55 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2jqt n LEU 56 N 1.77 0.86 0.00 6.15 7.94 -1.26 -5.13 117.00 127.33 2jqt n LEU 56 Ca -0.11 0.12 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2jqt n LEU 56 Cb 0.17 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.81 2jqt n LEU 56 CO 0.10 -0.63 0.00 0.33 -1.11 0.00 0.00 177.39 176.08