#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jqt s THR 2 N 0.00 4.34 -0.02 1.12 -1.32 -1.26 -5.07 115.64 113.43 2jqt s THR 2 Ca 0.00 1.58 0.02 0.00 -1.21 0.00 0.00 61.69 62.08 2jqt s THR 2 Cb 0.00 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.26 2jqt s THR 2 CO 0.00 -0.17 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.47 2jqt s VAL 3 N -1.99 0.70 -0.24 5.08 1.01 -1.26 -5.12 120.40 118.58 2jqt s VAL 3 Ca 0.58 -0.33 -0.22 0.00 0.00 0.00 0.00 61.98 62.01 2jqt s VAL 3 Cb -0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2jqt s VAL 3 CO 0.17 0.22 0.70 0.00 0.00 0.00 0.00 175.10 176.19 2jqt s GLN 4 N 0.10 4.16 -0.45 2.72 1.03 -1.26 -4.97 119.66 120.99 2jqt s GLN 4 Ca -0.01 0.71 0.05 0.00 0.04 0.00 0.00 55.36 56.15 2jqt s GLN 4 Cb -0.07 -3.63 0.19 0.00 0.03 0.00 0.00 33.01 29.52 2jqt s GLN 4 CO 0.00 -0.41 0.73 0.16 -2.54 0.00 0.00 175.29 173.23 2jqt s ASP 5 N 1.37 -1.33 0.33 12.60 -4.77 -1.26 -5.01 116.67 118.60 2jqt s ASP 5 Ca 0.30 -1.13 0.11 0.00 -3.30 0.00 0.00 52.55 48.53 2jqt s ASP 5 Cb -0.16 1.73 0.57 0.00 -1.09 0.00 0.00 42.92 43.97 2jqt s ASP 5 CO 0.09 -0.10 1.75 1.88 0.70 0.00 0.00 175.17 179.49 2jqt h TYR 6 N 5.83 0.07 -0.14 2.11 0.05 -2.02 -2.80 116.97 120.08 2jqt h TYR 6 Ca 0.04 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.82 2jqt h TYR 6 Cb 1.15 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.87 2jqt h TYR 6 CO 0.10 0.49 0.10 1.37 -1.05 0.00 0.00 178.16 179.16 2jqt h LEU 7 N 0.05 0.12 -0.49 3.88 -0.00 -1.95 -1.81 115.31 115.11 2jqt h LEU 7 Ca 0.00 -0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 2jqt h LEU 7 Cb 0.79 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.41 2jqt h LEU 7 CO 0.06 0.08 0.00 0.25 -0.00 0.00 0.00 178.44 178.83 2jqt h LEU 8 N 0.14 0.86 -0.11 0.17 6.46 -1.92 -1.81 115.31 119.10 2jqt h LEU 8 Ca 0.06 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 2jqt h LEU 8 Cb 0.06 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2jqt h LEU 8 CO -0.01 0.95 0.02 0.11 -0.62 0.00 0.00 178.44 178.89 2jqt h LYS 9 N 0.73 0.17 -0.11 1.25 1.57 -1.44 -2.79 116.57 115.96 2jqt h LYS 9 Ca 0.14 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2jqt h LYS 9 Cb 0.51 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2jqt h LYS 9 CO 0.03 0.37 0.06 0.35 -0.57 0.00 0.00 179.45 179.68 2jqt h PHE 10 N -0.05 0.14 -0.90 -1.35 3.04 -1.40 -2.04 116.94 114.37 2jqt h PHE 10 Ca 0.03 0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.03 2jqt h PHE 10 Cb 0.27 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.68 2jqt h PHE 10 CO 0.01 0.10 0.58 -0.09 -2.02 0.00 0.00 178.31 176.89 2jqt h ARG 11 N 0.15 1.05 -0.03 1.11 2.43 -1.04 -0.64 114.38 117.40 2jqt h ARG 11 Ca 0.04 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2jqt h ARG 11 Cb 0.01 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2jqt h ARG 11 CO -0.01 0.69 0.03 -0.22 -1.51 0.00 0.00 179.97 178.96 2jqt h LYS 12 N 1.08 0.00 -5.75 0.20 1.63 -1.34 -3.40 116.57 108.99 2jqt h LYS 12 Ca 0.38 0.00 -0.49 0.00 -0.85 0.00 0.00 60.65 59.68 2jqt h LYS 12 Cb 0.10 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2jqt h LYS 12 CO -0.15 0.00 1.57 0.42 -3.45 0.00 0.00 179.45 177.84 2jqt s ILE 13 N -4.75 3.06 -0.18 2.00 -1.09 -0.25 -4.77 121.20 115.22 2jqt s ILE 13 Ca -0.05 0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 58.37 2jqt s ILE 13 Cb 0.16 -3.13 -0.22 0.00 -1.58 0.00 0.00 42.46 37.69 2jqt s ILE 13 CO 0.58 -0.11 0.14 -1.54 -1.23 0.00 0.00 174.94 172.77 2jqt n SER 14 N 14.62 2.06 -4.83 3.58 3.41 -1.26 -4.93 113.62 126.27 2jqt n SER 14 Ca 0.33 0.10 -0.36 0.00 -0.26 0.00 0.00 58.87 58.69 2jqt n SER 14 Cb 0.52 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 2jqt n SER 14 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jqt s SER 15 N -6.87 6.94 0.32 4.04 0.01 -1.26 -4.98 113.70 111.90 2jqt s SER 15 Ca -0.27 1.23 0.09 0.00 1.31 0.00 0.00 55.95 58.31 2jqt s SER 15 Cb 0.08 -2.35 0.55 0.00 0.21 0.00 0.00 66.02 64.51 2jqt s SER 15 CO 0.70 0.08 1.75 0.25 0.41 0.00 0.00 173.24 176.43 2jqt h LEU 16 N 3.54 0.17 -1.69 2.44 6.46 -2.02 -2.78 115.31 121.44 2jqt h LEU 16 Ca -0.48 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.23 2jqt h LEU 16 Cb 1.19 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 2jqt h LEU 16 CO 0.65 0.54 0.23 1.05 -0.62 0.00 0.00 178.44 180.30 2jqt h GLU 17 N 0.14 0.41 0.00 1.25 4.11 -2.01 -0.49 114.58 117.99 2jqt h GLU 17 Ca 0.01 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.37 2jqt h GLU 17 Cb 0.74 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2jqt h GLU 17 CO 0.06 0.27 -0.26 1.03 0.07 0.00 0.00 179.01 180.18 2jqt h SER 18 N 0.42 0.00 0.39 3.06 0.87 -1.90 -3.22 113.55 113.17 2jqt h SER 18 Ca 0.14 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2jqt h SER 18 Cb 0.03 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 2jqt h SER 18 CO -0.03 0.26 -0.41 0.25 -0.53 0.00 0.00 176.83 176.36 2jqt h LEU 19 N 0.00 -1.14 -1.91 2.23 5.85 -1.12 0.13 115.31 119.34 2jqt h LEU 19 Ca -0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2jqt h LEU 19 Cb 0.79 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2jqt h LEU 19 CO 0.03 -0.54 0.15 1.05 -0.34 0.00 0.00 178.44 178.79 2jqt h GLU 20 N -0.81 0.11 -0.53 1.25 4.11 -1.65 -1.45 114.58 115.62 2jqt h GLU 20 Ca -0.05 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 59.25 2jqt h GLU 20 Cb 0.70 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2jqt h GLU 20 CO -0.06 0.07 -0.14 0.87 0.07 0.00 0.00 179.01 179.81 2jqt h LYS 21 N 0.11 1.03 -0.43 1.06 1.57 -1.39 -2.27 116.57 116.24 2jqt h LYS 21 Ca 0.09 -0.40 -0.07 0.00 -1.87 0.00 0.00 60.65 58.40 2jqt h LYS 21 Cb 0.24 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2jqt h LYS 21 CO -0.01 1.09 -0.02 1.25 -0.57 0.00 0.00 179.45 181.19 2jqt h LEU 22 N 0.90 0.76 -0.60 2.94 6.46 0.28 -0.27 115.31 125.79 2jqt h LEU 22 Ca 0.13 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 2jqt h LEU 22 Cb 0.72 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 2jqt h LEU 22 CO 0.06 0.90 0.38 0.22 -0.62 0.00 0.00 178.44 179.37 2jqt h TYR 23 N 0.61 0.77 -0.29 1.25 3.20 -1.35 -0.02 116.97 121.16 2jqt h TYR 23 Ca 0.12 0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 2jqt h TYR 23 Cb 0.51 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 2jqt h TYR 23 CO 0.04 0.51 -0.41 0.22 -1.64 0.00 0.00 178.16 176.88 2jqt h ASP 24 N 0.81 0.74 0.21 -2.11 1.82 -1.30 -1.85 116.42 114.74 2jqt h ASP 24 Ca 0.22 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.51 2jqt h ASP 24 Cb -0.05 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.75 2jqt h ASP 24 CO -0.04 1.06 -0.10 0.45 -1.61 0.00 0.00 179.24 178.99 2jqt h HIS 25 N 0.57 -0.27 -0.78 0.28 3.86 -0.64 -1.74 115.15 116.42 2jqt h HIS 25 Ca 0.04 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2jqt h HIS 25 Cb 0.95 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.47 2jqt h HIS 25 CO 0.05 -0.02 0.50 -0.07 0.86 0.00 0.00 177.93 179.26 2jqt h LEU 26 N -0.49 0.91 -1.95 2.43 3.38 -1.04 -1.57 115.31 116.99 2jqt h LEU 26 Ca -0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2jqt h LEU 26 Cb 0.37 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jqt h LEU 26 CO 0.05 0.68 -0.10 -1.13 0.09 0.00 0.00 178.44 178.02 2jqt h ASN 27 N 1.06 0.00 -0.86 -0.43 -0.00 -1.26 0.16 115.58 114.25 2jqt h ASN 27 Ca 0.28 0.00 -0.51 0.00 -0.00 0.00 0.00 56.30 56.08 2jqt h ASN 27 Cb -0.10 0.00 -0.26 0.00 -0.00 0.00 0.00 38.32 37.96 2jqt h ASN 27 CO -0.06 0.10 0.65 0.00 -0.00 0.00 0.00 177.43 178.12 2jqt n TYR 28 N -4.03 2.71 0.00 0.67 9.36 -0.59 -3.19 117.16 122.09 2jqt n TYR 28 Ca -0.02 -2.12 0.00 0.00 3.32 0.00 0.00 57.90 59.07 2jqt n TYR 28 Cb 0.19 -1.05 0.00 0.00 -0.63 0.00 0.00 39.34 37.85 2jqt n TYR 28 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2jqt n THR 29 N -0.78 0.00 -0.13 2.97 -2.24 -0.76 -4.97 114.28 108.38 2jqt n THR 29 Ca 0.53 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.13 2jqt n THR 29 Cb 1.15 -0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 69.18 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 -2.14 2.87 -3.69 3.22 4.32 0.48 -5.04 117.00 117.01 2jqt n LEU 30 Ca 0.00 -0.13 -0.22 0.00 -0.02 0.00 0.00 56.01 55.64 2jqt n LEU 30 Cb 0.00 -0.85 0.00 0.00 -1.62 0.00 0.00 43.42 40.95 2jqt n LEU 30 CO 0.00 0.92 -0.16 1.07 -1.22 0.00 0.00 177.39 178.00 2jqt n THR 31 N -3.23 -4.35 -3.81 -5.08 5.66 -1.19 -4.98 114.28 97.30 2jqt n THR 31 Ca -0.45 -0.07 -0.07 0.00 -3.05 0.00 0.00 64.05 60.41 2jqt n THR 31 Cb 0.99 -3.52 -0.02 0.00 -1.55 0.00 0.00 70.33 66.23 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 -3.01 -0.26 0.60 1.09 -4.77 -1.26 -5.02 116.67 104.04 2jqt s ASP 32 Ca 0.02 -0.52 0.31 0.00 -3.30 0.00 0.00 52.55 49.06 2jqt s ASP 32 Cb -0.01 0.67 1.88 0.00 -1.09 0.00 0.00 42.92 44.37 2jqt s ASP 32 CO 0.88 -1.23 2.26 -2.24 0.70 0.00 0.00 175.17 175.54 2jqt h ASP 33 N 2.00 0.00 -0.18 2.11 2.03 -2.00 -2.63 116.42 117.75 2jqt h ASP 33 Ca -0.21 0.00 0.05 0.00 -0.73 0.00 0.00 57.03 56.14 2jqt h ASP 33 Cb 1.25 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.70 2jqt h ASP 33 CO 0.24 0.00 -0.11 -0.61 -1.03 0.00 0.00 179.24 177.73 2jqt h GLN 34 N 0.00 -0.10 -0.04 4.15 4.15 -1.97 0.36 115.11 121.65 2jqt h GLN 34 Ca 0.00 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 2jqt h GLN 34 Cb 0.03 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2jqt h GLN 34 CO -0.00 -0.07 -0.21 1.05 -1.93 0.00 0.00 178.83 177.67 2jqt h GLU 35 N -0.11 0.07 0.17 1.69 4.11 -1.86 -1.18 114.58 117.47 2jqt h GLU 35 Ca 0.11 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 2jqt h GLU 35 Cb 0.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jqt h GLU 35 CO -0.25 0.28 -0.08 1.25 0.07 0.00 0.00 179.01 180.29 2jqt h LEU 36 N 0.06 -0.19 -1.32 3.06 6.46 -1.23 0.53 115.31 122.68 2jqt h LEU 36 Ca 0.01 -0.35 0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2jqt h LEU 36 Cb 0.42 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.36 2jqt h LEU 36 CO 0.03 0.35 0.47 -0.29 -0.62 0.00 0.00 178.44 178.38 2jqt h ILE 37 N -0.83 1.16 -0.02 4.05 2.10 -0.28 0.26 117.51 123.95 2jqt h ILE 37 Ca -0.02 -0.32 -0.03 0.00 1.08 0.00 0.00 64.86 65.57 2jqt h ILE 37 Cb 0.53 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.41 2jqt h ILE 37 CO 0.04 0.17 -0.12 0.78 -1.08 0.00 0.00 178.15 177.94 2jqt h ASN 38 N 0.93 0.14 -0.80 2.19 2.35 -1.27 -2.65 115.58 116.47 2jqt h ASN 38 Ca 0.27 -0.69 -0.03 0.00 -0.55 0.00 0.00 56.30 55.30 2jqt h ASN 38 Cb -0.05 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 2jqt h ASN 38 CO -0.06 0.80 0.39 -0.03 -1.65 0.00 0.00 177.43 176.88 2jqt h MET 39 N -0.52 1.14 -0.24 0.81 4.05 -0.65 -0.82 114.93 118.71 2jqt h MET 39 Ca -0.01 -0.17 -0.00 0.00 -0.28 0.00 0.00 59.70 59.24 2jqt h MET 39 Cb 0.81 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.39 2jqt h MET 39 CO 0.02 0.88 0.14 -0.92 0.23 0.00 0.00 176.91 177.26 2jqt h TYR 40 N 1.13 0.33 -0.06 1.39 3.20 -0.56 0.81 116.97 123.20 2jqt h TYR 40 Ca 0.27 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 2jqt h TYR 40 Cb 0.11 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2jqt h TYR 40 CO 0.01 0.28 0.02 0.00 -1.64 0.00 0.00 178.16 176.83 2jqt h ARG 41 N 0.29 0.09 -0.31 1.82 3.08 -1.25 0.44 114.38 118.53 2jqt h ARG 41 Ca 0.09 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 2jqt h ARG 41 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2jqt h ARG 41 CO -0.01 0.23 -0.23 0.00 -1.07 0.00 0.00 179.97 178.88 2jqt h ALA 42 N 0.86 1.01 -0.06 0.04 0.00 -1.05 -1.63 119.26 118.43 2jqt h ALA 42 Ca 0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2jqt h ALA 42 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jqt h ALA 42 CO -0.00 0.59 -0.16 0.00 0.00 0.00 0.00 179.25 179.68 2jqt h ALA 43 N 1.22 0.10 -0.31 0.00 0.00 0.81 -2.19 119.26 118.89 2jqt h ALA 43 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jqt h ALA 43 Cb 0.68 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2jqt h ALA 43 CO 0.05 0.02 0.20 -0.44 0.00 0.00 0.00 179.25 179.09 2jqt h ASP 44 N -0.29 0.36 -0.40 0.00 5.19 -0.10 0.21 116.42 121.39 2jqt h ASP 44 Ca -0.00 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2jqt h ASP 44 Cb 0.76 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 2jqt h ASP 44 CO 0.03 0.27 0.25 0.45 -3.12 0.00 0.00 179.24 177.12 2jqt h HIS 45 N 0.41 0.52 0.12 4.55 3.86 -1.36 0.30 115.15 123.55 2jqt h HIS 45 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2jqt h HIS 45 Cb -0.04 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.26 2jqt h HIS 45 CO -0.05 0.35 -0.06 0.00 0.86 0.00 0.00 177.93 179.03 2jqt h ARG 46 N 0.53 -0.16 -0.59 2.45 2.47 -1.14 -1.27 114.38 116.66 2jqt h ARG 46 Ca 0.14 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.88 2jqt h ARG 46 Cb -0.02 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 2jqt h ARG 46 CO -0.03 0.10 0.39 -0.09 0.56 0.00 0.00 179.97 180.90 2jqt h ARG 47 N -0.40 0.77 -0.84 0.04 9.65 -0.50 -2.23 114.38 120.88 2jqt h ARG 47 Ca -0.02 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2jqt h ARG 47 Cb 0.33 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 2jqt h ARG 47 CO 0.03 0.51 0.54 0.00 2.80 0.00 0.00 179.97 183.85 2jqt h ALA 48 N 1.22 1.06 -0.49 2.80 0.00 -0.34 -1.93 119.26 121.58 2jqt h ALA 48 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2jqt h ALA 48 Cb -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 2jqt h ALA 48 CO -0.05 0.49 0.31 0.93 0.00 0.00 0.00 179.25 180.93 2jqt h GLU 49 N 1.14 0.65 -0.48 0.00 4.39 -0.78 0.56 114.58 120.07 2jqt h GLU 49 Ca 0.30 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 2jqt h GLU 49 Cb -0.10 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 2jqt h GLU 49 CO -0.06 0.46 0.16 -0.07 -1.16 0.00 0.00 179.01 178.34 2jqt h LEU 50 N 0.66 0.64 0.06 1.33 4.07 -1.04 -1.54 115.31 119.49 2jqt h LEU 50 Ca 0.18 -0.08 -0.24 0.00 0.08 0.00 0.00 57.88 57.81 2jqt h LEU 50 Cb -0.04 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 2jqt h LEU 50 CO -0.04 0.60 -1.13 0.58 -1.08 0.00 0.00 178.44 177.38 2jqt h VAL 51 N 0.69 1.60 -0.09 1.22 2.07 -0.80 -3.26 116.25 117.68 2jqt h VAL 51 Ca 0.16 -3.25 -0.10 0.00 0.82 0.00 0.00 66.70 64.34 2jqt h VAL 51 Cb 0.18 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 2jqt h VAL 51 CO -0.01 0.94 -0.37 -1.28 0.02 0.00 0.00 177.57 176.86 2jqt h SER 52 N 0.04 0.20 0.00 0.57 0.87 0.52 -3.49 113.55 112.25 2jqt h SER 52 Ca -0.07 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2jqt h SER 52 Cb 1.87 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.78 2jqt h SER 52 CO 0.17 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2jqt n GLY 53 N -0.31 0.24 2.67 5.77 0.00 -0.61 -4.96 105.19 107.99 2jqt n GLY 53 Ca -0.01 -1.81 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 2jqt n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jqt n GLY 54 N 0.00 -1.43 1.18 -0.02 0.00 -1.26 -4.51 105.19 99.15 2jqt n GLY 54 Ca 0.00 0.84 -0.06 0.00 0.00 0.00 0.00 46.02 46.81 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 0.65 2.02 -3.98 1.61 1.74 -1.26 -5.01 116.66 112.43 2jqt n ARG 55 Ca -0.04 -3.35 -0.09 0.00 -0.77 0.00 0.00 57.85 53.60 2jqt n ARG 55 Cb 0.75 -1.84 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 2jqt n ARG 55 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2jqt s LEU 56 N -3.32 1.56 0.00 0.55 2.34 -1.26 -5.34 118.68 113.21 2jqt s LEU 56 Ca 0.45 -0.87 0.00 0.00 0.06 0.00 0.00 54.13 53.77 2jqt s LEU 56 Cb 0.40 0.79 0.00 0.00 -0.56 0.00 0.00 46.19 46.83 2jqt s LEU 56 CO -0.02 -0.75 0.00 2.22 -1.06 0.00 0.00 176.35 176.75