#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 1.42 0.16 1.12 -1.32 -1.26 -5.11 115.64 110.65 2jqt s THR 2 Ca 0.00 -2.72 0.03 0.00 -1.21 0.00 0.00 61.69 57.79 2jqt s THR 2 Cb 0.00 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.97 2jqt s THR 2 CO 0.00 -0.94 0.28 0.68 -2.21 0.00 0.00 174.62 172.42 2jqt s VAL 3 N 0.16 5.21 -0.06 5.08 -7.23 -1.26 -5.08 120.40 117.22 2jqt s VAL 3 Ca 0.20 -0.78 -0.26 0.00 -1.81 0.00 0.00 61.98 59.33 2jqt s VAL 3 Cb -0.19 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.01 2jqt s VAL 3 CO -0.03 -0.13 0.84 -1.10 -0.31 0.00 0.00 175.10 174.37 2jqt s GLN 4 N -3.32 4.46 -0.17 4.82 1.11 -1.26 -5.05 119.66 120.25 2jqt s GLN 4 Ca 0.34 1.13 -0.02 0.00 0.01 0.00 0.00 55.36 56.81 2jqt s GLN 4 Cb -0.11 -3.48 -0.01 0.00 -1.01 0.00 0.00 33.01 28.41 2jqt s GLN 4 CO 0.28 -0.06 -0.09 -0.51 0.01 0.00 0.00 175.29 174.93 2jqt s ASP 5 N 0.94 4.19 0.48 5.90 1.11 -1.26 -4.99 116.67 123.04 2jqt s ASP 5 Ca 0.44 -0.34 0.14 0.00 0.18 0.00 0.00 52.55 52.96 2jqt s ASP 5 Cb -0.19 -1.68 1.13 0.00 1.07 0.00 0.00 42.92 43.25 2jqt s ASP 5 CO 0.21 0.08 2.09 0.22 1.18 0.00 0.00 175.17 178.95 2jqt h TYR 6 N 7.34 0.08 -0.40 4.23 3.20 -2.00 -1.71 116.97 127.71 2jqt h TYR 6 Ca -0.34 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.57 2jqt h TYR 6 Cb 1.18 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 2jqt h TYR 6 CO 0.54 0.11 0.27 -0.07 -1.64 0.00 0.00 178.16 177.36 2jqt h LEU 7 N 0.08 0.32 -0.28 2.82 4.07 -1.98 -1.03 115.31 119.31 2jqt h LEU 7 Ca 0.02 -0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.78 2jqt h LEU 7 Cb 0.09 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2jqt h LEU 7 CO 0.00 0.22 -0.88 -0.07 -1.08 0.00 0.00 178.44 176.63 2jqt h LEU 8 N 0.37 0.19 0.28 1.67 3.38 -1.73 -1.48 115.31 117.98 2jqt h LEU 8 Ca 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2jqt h LEU 8 Cb 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2jqt h LEU 8 CO -0.04 0.97 -0.13 0.50 0.09 0.00 0.00 178.44 179.83 2jqt h LYS 9 N 0.08 -0.36 -0.19 1.13 3.64 -1.14 -1.16 116.57 118.58 2jqt h LYS 9 Ca -0.04 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 2jqt h LYS 9 Cb 1.51 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.41 2jqt h LYS 9 CO 0.13 -0.12 -0.54 0.35 -2.27 0.00 0.00 179.45 177.00 2jqt h PHE 10 N -0.55 0.69 -0.79 1.91 3.04 -1.52 -3.08 116.94 116.64 2jqt h PHE 10 Ca -0.04 -0.24 0.00 0.00 3.98 0.00 0.00 57.97 61.67 2jqt h PHE 10 Cb 0.40 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.74 2jqt h PHE 10 CO -0.01 0.97 0.50 -0.09 -2.02 0.00 0.00 178.31 177.66 2jqt h ARG 11 N 0.43 1.05 0.00 1.11 2.43 -1.22 -1.16 114.38 117.02 2jqt h ARG 11 Ca 0.01 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2jqt h ARG 11 Cb 1.08 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2jqt h ARG 11 CO 0.10 0.71 -0.03 -0.22 -1.51 0.00 0.00 179.97 179.03 2jqt h LYS 12 N 1.07 0.00 -6.98 0.20 1.63 -1.11 -3.43 116.57 107.95 2jqt h LYS 12 Ca 0.29 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.53 2jqt h LYS 12 Cb -0.09 0.00 0.15 0.00 -0.60 0.00 0.00 32.23 31.69 2jqt h LYS 12 CO -0.06 0.03 0.46 -0.89 -3.45 0.00 0.00 179.45 175.54 2jqt n ILE 13 N -3.60 3.88 -0.03 2.00 5.41 -0.44 -4.96 119.36 121.62 2jqt n ILE 13 Ca -0.03 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.15 2jqt n ILE 13 Cb 0.12 -1.50 -0.03 0.00 -0.71 0.00 0.00 39.64 37.52 2jqt n ILE 13 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2jqt n SER 14 N -0.97 0.91 -4.74 4.38 3.41 -1.26 -5.02 113.62 110.32 2jqt n SER 14 Ca 0.12 0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.46 2jqt n SER 14 Cb 0.45 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 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 -5.88 7.29 0.44 4.04 0.01 -1.26 -4.93 113.70 113.40 2jqt s SER 15 Ca -0.12 2.12 0.22 0.00 1.31 0.00 0.00 55.95 59.47 2jqt s SER 15 Cb 0.04 -2.61 1.00 0.00 0.21 0.00 0.00 66.02 64.66 2jqt s SER 15 CO 0.16 -0.18 1.89 0.25 0.41 0.00 0.00 173.24 175.76 2jqt h LEU 16 N 4.78 0.00 -1.30 2.44 7.12 -2.03 -2.92 115.31 123.40 2jqt h LEU 16 Ca -0.45 0.00 0.09 0.00 0.13 0.00 0.00 57.88 57.65 2jqt h LEU 16 Cb 1.21 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 41.28 2jqt h LEU 16 CO 0.71 0.26 0.53 -0.33 -0.13 0.00 0.00 178.44 179.48 2jqt h GLU 17 N 0.00 0.76 -0.12 1.25 4.39 -2.03 0.25 114.58 119.10 2jqt h GLU 17 Ca -0.00 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.68 2jqt h GLU 17 Cb 0.63 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2jqt h GLU 17 CO 0.03 0.51 0.11 0.77 -1.16 0.00 0.00 179.01 179.27 2jqt h SER 18 N 0.79 0.00 0.72 1.42 0.02 -1.92 -2.69 113.55 111.88 2jqt h SER 18 Ca 0.37 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 2jqt h SER 18 Cb 0.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2jqt h SER 18 CO -0.15 0.00 -0.43 0.25 -1.14 0.00 0.00 176.83 175.36 2jqt h LEU 19 N 0.00 -1.08 -1.79 5.07 6.46 -1.11 -0.72 115.31 122.13 2jqt h LEU 19 Ca 0.05 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2jqt h LEU 19 Cb 0.27 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2jqt h LEU 19 CO -0.00 -0.67 0.14 1.05 -0.62 0.00 0.00 178.44 178.34 2jqt h GLU 20 N -1.08 0.28 -0.02 1.25 4.11 -1.59 -2.05 114.58 115.48 2jqt h GLU 20 Ca -0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 2jqt h GLU 20 Cb 0.86 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2jqt h GLU 20 CO 0.10 0.18 0.01 0.87 0.07 0.00 0.00 179.01 180.24 2jqt h LYS 21 N 0.28 0.03 -0.77 1.06 1.79 -1.21 -1.97 116.57 115.79 2jqt h LYS 21 Ca 0.08 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 2jqt h LYS 21 Cb -0.03 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 2jqt h LYS 21 CO -0.02 0.23 0.38 1.25 -1.08 0.00 0.00 179.45 180.21 2jqt h LEU 22 N -0.17 0.98 0.68 2.94 5.85 -0.72 -1.22 115.31 123.65 2jqt h LEU 22 Ca 0.01 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2jqt h LEU 22 Cb 0.21 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.00 2jqt h LEU 22 CO -0.00 0.82 -0.33 0.22 -0.34 0.00 0.00 178.44 178.81 2jqt h TYR 23 N 1.08 -0.85 -0.20 1.25 5.03 -1.25 0.57 116.97 122.61 2jqt h TYR 23 Ca 0.27 -0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.56 2jqt h TYR 23 Cb 0.09 0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 2jqt h TYR 23 CO 0.01 -0.52 0.13 -0.44 -1.32 0.00 0.00 178.16 176.02 2jqt h ASP 24 N -0.93 0.20 0.10 -2.11 3.32 -1.26 0.80 116.42 116.53 2jqt h ASP 24 Ca -0.09 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2jqt h ASP 24 Cb 0.71 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2jqt h ASP 24 CO 0.15 0.14 -0.05 0.45 -1.72 0.00 0.00 179.24 178.22 2jqt h HIS 25 N 0.23 -0.12 -0.20 4.55 3.86 -0.88 -2.42 115.15 120.17 2jqt h HIS 25 Ca 0.08 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2jqt h HIS 25 Cb 0.02 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2jqt h HIS 25 CO -0.00 0.39 -0.04 -0.07 0.86 0.00 0.00 177.93 179.07 2jqt h LEU 26 N -0.87 0.39 -1.99 2.43 3.38 0.34 0.81 115.31 119.80 2jqt h LEU 26 Ca -0.01 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2jqt h LEU 26 Cb 0.57 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2jqt h LEU 26 CO 0.02 0.66 -0.02 -1.13 0.09 0.00 0.00 178.44 178.06 2jqt h ASN 27 N 0.11 0.00 0.60 -0.43 -0.73 0.49 0.39 115.58 116.00 2jqt h ASN 27 Ca 0.05 0.00 -0.28 0.00 1.87 0.00 0.00 56.30 57.94 2jqt h ASN 27 Cb 0.49 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 2jqt h ASN 27 CO 0.02 0.02 -1.49 0.22 -0.37 0.00 0.00 177.43 175.84 2jqt h TYR 28 N 0.00 0.15 0.00 0.67 3.20 -1.23 -3.14 116.97 116.62 2jqt h TYR 28 Ca -0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2jqt h TYR 28 Cb 0.04 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2jqt h TYR 28 CO 0.00 1.15 0.00 0.25 -1.64 0.00 0.00 178.16 177.92 2jqt n THR 29 N -3.26 0.00 0.26 1.81 -2.24 0.26 -4.62 114.28 106.49 2jqt n THR 29 Ca -0.13 0.36 -0.16 0.00 -2.27 0.00 0.00 64.05 61.85 2jqt n THR 29 Cb 1.02 -1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 67.99 2jqt n THR 29 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2jqt h LEU 30 N 0.00 -0.53 2.53 3.22 4.07 -0.46 -3.46 115.31 120.68 2jqt h LEU 30 Ca 0.00 0.02 -0.41 0.00 0.08 0.00 0.00 57.88 57.57 2jqt h LEU 30 Cb 0.00 0.14 -0.05 0.00 1.08 0.00 0.00 40.66 41.83 2jqt h LEU 30 CO 0.00 -0.37 -0.50 0.41 -1.08 0.00 0.00 178.44 176.90 2jqt n THR 31 N -5.36 -0.78 -4.44 0.22 -1.04 -0.93 -4.98 114.28 96.98 2jqt n THR 31 Ca -0.11 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.62 2jqt n THR 31 Cb 0.26 -2.74 -0.09 0.00 -1.82 0.00 0.00 70.33 65.95 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 -2.22 4.13 0.50 8.00 1.11 -1.26 -5.02 116.67 121.90 2jqt s ASP 32 Ca 0.00 -1.30 0.26 0.00 0.18 0.00 0.00 52.55 51.69 2jqt s ASP 32 Cb 0.00 -0.28 1.30 0.00 1.07 0.00 0.00 42.92 45.01 2jqt s ASP 32 CO 0.00 -0.56 2.00 -0.78 1.18 0.00 0.00 175.17 177.01 2jqt h ASP 33 N 1.56 0.00 -0.23 0.27 1.82 -2.01 -3.11 116.42 114.72 2jqt h ASP 33 Ca -0.43 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.26 2jqt h ASP 33 Cb 1.26 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.21 2jqt h ASP 33 CO 0.75 0.15 -0.16 1.56 -1.61 0.00 0.00 179.24 179.94 2jqt h GLN 34 N 0.00 -0.15 -0.26 0.28 4.20 -1.99 -0.25 115.11 116.95 2jqt h GLN 34 Ca -0.00 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.74 2jqt h GLN 34 Cb 0.45 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2jqt h GLN 34 CO 0.02 -0.10 0.17 1.05 -0.67 0.00 0.00 178.83 179.31 2jqt h GLU 35 N -0.15 0.24 0.25 1.46 4.11 -1.92 -0.80 114.58 117.77 2jqt h GLU 35 Ca 0.13 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2jqt h GLU 35 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jqt h GLU 35 CO -0.33 0.16 -0.12 1.25 0.07 0.00 0.00 179.01 180.04 2jqt h LEU 36 N 0.25 -0.29 -1.86 3.06 5.85 -1.20 0.99 115.31 122.11 2jqt h LEU 36 Ca 0.11 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 2jqt h LEU 36 Cb 0.11 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 2jqt h LEU 36 CO -0.02 0.12 -0.09 -0.29 -0.34 0.00 0.00 178.44 177.82 2jqt h ILE 37 N -0.74 1.01 0.01 4.05 2.10 -0.86 -0.60 117.51 122.48 2jqt h ILE 37 Ca -0.03 -0.31 -0.00 0.00 1.08 0.00 0.00 64.86 65.60 2jqt h ILE 37 Cb 0.50 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 2jqt h ILE 37 CO 0.06 0.09 -0.01 0.78 -1.08 0.00 0.00 178.15 177.99 2jqt h ASN 38 N 0.00 -0.02 -0.38 2.19 2.35 -1.09 -2.49 115.58 116.14 2jqt h ASN 38 Ca -0.00 -0.78 0.01 0.00 -0.55 0.00 0.00 56.30 54.99 2jqt h ASN 38 Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2jqt h ASN 38 CO 0.01 0.82 0.23 0.24 -1.65 0.00 0.00 177.43 177.08 2jqt h MET 39 N -0.90 0.45 -0.03 0.81 2.86 -0.63 0.42 114.93 117.91 2jqt h MET 39 Ca -0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2jqt h MET 39 Cb 0.79 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 2jqt h MET 39 CO 0.00 0.30 0.02 1.88 1.06 0.00 0.00 176.91 180.17 2jqt h TYR 40 N 0.47 0.05 -0.05 -0.22 0.05 -1.24 0.83 116.97 116.85 2jqt h TYR 40 Ca 0.15 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 2jqt h TYR 40 Cb -0.01 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 2jqt h TYR 40 CO -0.07 0.11 0.02 0.00 -1.05 0.00 0.00 178.16 177.18 2jqt h ARG 41 N -0.03 0.08 0.14 4.88 3.08 -1.23 0.33 114.38 121.64 2jqt h ARG 41 Ca 0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2jqt h ARG 41 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2jqt h ARG 41 CO -0.00 0.21 -0.07 0.00 -1.07 0.00 0.00 179.97 179.04 2jqt h ALA 42 N 0.86 -0.19 -0.17 0.04 0.00 -0.10 -1.08 119.26 118.61 2jqt h ALA 42 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jqt h ALA 42 Cb 0.16 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jqt h ALA 42 CO -0.00 -0.47 0.11 0.00 0.00 0.00 0.00 179.25 178.89 2jqt h ALA 43 N 0.34 0.22 -0.88 0.00 0.00 0.67 0.46 119.26 120.07 2jqt h ALA 43 Ca -0.02 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jqt h ALA 43 Cb 0.37 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2jqt h ALA 43 CO 0.03 -0.30 0.58 0.22 0.00 0.00 0.00 179.25 179.78 2jqt h ASP 44 N 0.23 0.97 0.03 0.00 3.58 -0.34 0.53 116.42 121.42 2jqt h ASP 44 Ca 0.06 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2jqt h ASP 44 Cb -0.03 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.79 2jqt h ASP 44 CO -0.01 0.68 -0.01 -0.74 -2.88 0.00 0.00 179.24 176.27 2jqt h HIS 45 N 1.13 -0.04 0.12 0.28 2.76 -0.77 -1.78 115.15 116.86 2jqt h HIS 45 Ca 0.34 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 2jqt h HIS 45 Cb -0.03 0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.94 2jqt h HIS 45 CO -0.00 0.62 -0.06 0.00 -1.30 0.00 0.00 177.93 177.19 2jqt h ARG 46 N -0.76 -0.16 -0.64 5.26 2.47 0.08 0.35 114.38 120.98 2jqt h ARG 46 Ca -0.00 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2jqt h ARG 46 Cb 0.67 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 2jqt h ARG 46 CO 0.01 -0.05 0.42 -0.09 0.56 0.00 0.00 179.97 180.82 2jqt h ARG 47 N -0.23 0.82 -0.71 0.04 9.65 -0.06 0.60 114.38 124.49 2jqt h ARG 47 Ca -0.02 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.76 2jqt h ARG 47 Cb 0.18 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2jqt h ARG 47 CO 0.03 0.54 0.23 0.00 2.80 0.00 0.00 179.97 183.57 2jqt h ALA 48 N 1.25 1.06 -0.01 2.80 0.00 -1.15 0.15 119.26 123.34 2jqt h ALA 48 Ca 0.24 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 2jqt h ALA 48 Cb -0.06 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.47 2jqt h ALA 48 CO -0.07 0.64 -1.02 0.93 0.00 0.00 0.00 179.25 179.73 2jqt h GLU 49 N 1.05 0.72 -0.20 0.00 5.08 -0.42 -1.74 114.58 119.07 2jqt h GLU 49 Ca 0.23 -0.75 -0.04 0.00 -1.00 0.00 0.00 59.36 57.80 2jqt h GLU 49 Cb 0.29 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2jqt h GLU 49 CO -0.01 1.33 -0.01 1.25 -1.00 0.00 0.00 179.01 180.56 2jqt h LEU 50 N 0.41 0.36 -0.75 1.33 5.85 0.36 0.34 115.31 123.21 2jqt h LEU 50 Ca -0.12 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.16 2jqt h LEU 50 Cb 1.67 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 2jqt h LEU 50 CO 0.20 0.60 -0.21 1.62 -0.34 0.00 0.00 178.44 180.32 2jqt h VAL 51 N 0.11 1.27 -0.75 1.05 3.04 -0.80 -2.91 116.25 117.26 2jqt h VAL 51 Ca 0.06 -1.30 -0.37 0.00 -1.01 0.00 0.00 66.70 64.08 2jqt h VAL 51 Cb 0.43 1.21 -0.22 0.00 -2.01 0.00 0.00 31.29 30.69 2jqt h VAL 51 CO 0.01 0.43 0.37 -1.54 -1.01 0.00 0.00 177.57 175.83 2jqt n SER 52 N -4.12 3.43 -3.67 3.17 3.41 -0.65 -4.75 113.62 110.44 2jqt n SER 52 Ca 0.00 -3.62 -0.36 0.00 -0.26 0.00 0.00 58.87 54.63 2jqt n SER 52 Cb 0.42 -0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 2jqt n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jqt n GLY 53 N -1.04 5.21 0.00 5.00 0.00 0.12 -4.70 105.19 109.78 2jqt n GLY 53 Ca 0.49 -2.71 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 0.86 1.93 2.04 -0.02 0.00 -1.26 -4.97 105.19 103.77 2jqt n GLY 54 Ca 0.30 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 2jqt n GLY 54 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jqt n ARG 55 N 0.00 2.52 -0.10 1.61 0.63 -1.26 -4.56 116.66 115.50 2jqt n ARG 55 Ca 0.00 -3.31 -0.15 0.00 -0.92 0.00 0.00 57.85 53.48 2jqt n ARG 55 Cb 0.00 -2.17 -0.05 0.00 0.45 0.00 0.00 32.46 30.69 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 -1.00 1.91 0.00 6.15 0.00 -1.26 -5.27 117.00 117.53 2jqt n LEU 56 Ca 0.54 0.41 0.00 0.00 0.00 0.00 0.00 56.01 56.96 2jqt n LEU 56 Cb 1.07 -0.82 0.00 0.00 0.00 0.00 0.00 43.42 43.68 2jqt n LEU 56 CO 0.57 -0.04 0.00 0.33 0.00 0.00 0.00 177.39 178.26