#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpp s LEU 2 N 0.00 6.30 0.22 -0.89 0.20 -1.26 -5.06 118.68 118.19 2jpp s LEU 2 Ca 0.00 -2.16 -0.29 0.00 0.69 0.00 0.00 54.13 52.37 2jpp s LEU 2 Cb 0.00 -2.17 -0.09 0.00 -0.43 0.00 0.00 46.19 43.50 2jpp s LEU 2 CO 0.00 -0.72 0.90 -0.63 -0.29 0.00 0.00 176.35 175.61 2jpp s ILE 3 N 1.00 4.16 0.09 6.68 1.09 -1.26 -5.06 121.20 127.90 2jpp s ILE 3 Ca 0.09 2.00 -0.03 0.00 -1.10 0.00 0.00 60.65 61.61 2jpp s ILE 3 Cb -0.22 -4.29 -0.03 0.00 -1.06 0.00 0.00 42.46 36.86 2jpp s ILE 3 CO -0.02 0.49 0.06 -0.76 -0.10 0.00 0.00 174.94 174.62 2jpp s LEU 4 N -1.10 1.98 -0.47 2.97 1.43 -1.26 -5.13 118.68 117.10 2jpp s LEU 4 Ca 0.40 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2jpp s LEU 4 Cb -0.25 0.48 0.14 0.00 0.03 0.00 0.00 46.19 46.58 2jpp s LEU 4 CO 0.31 -0.68 0.26 -0.89 0.23 0.00 0.00 176.35 175.57 2jpp s THR 5 N -3.94 1.67 0.97 5.49 2.01 -1.26 -5.12 115.64 115.46 2jpp s THR 5 Ca 0.11 -2.80 -0.16 0.00 0.31 0.00 0.00 61.69 59.16 2jpp s THR 5 Cb 0.07 -2.16 0.19 0.00 0.01 0.00 0.00 72.50 70.61 2jpp s THR 5 CO -0.07 -0.89 1.28 -0.13 -0.69 0.00 0.00 174.62 174.12 2jpp s ARG 6 N 0.12 0.60 0.22 4.92 1.81 -1.26 -5.11 118.95 120.25 2jpp s ARG 6 Ca 0.18 -0.30 0.09 0.00 -1.72 0.00 0.00 55.73 53.99 2jpp s ARG 6 Cb -0.23 -1.83 -0.05 0.00 -0.45 0.00 0.00 34.95 32.40 2jpp s ARG 6 CO -0.01 -2.46 -0.17 0.15 -0.68 0.00 0.00 175.30 172.13 2jpp s LYS 7 N -5.79 1.44 -0.10 3.54 1.02 -1.26 -5.06 119.74 113.52 2jpp s LYS 7 Ca 0.72 -1.62 -0.32 0.00 0.02 0.00 0.00 55.97 54.77 2jpp s LYS 7 Cb -0.05 -1.38 -0.10 0.00 -0.52 0.00 0.00 37.83 35.78 2jpp s LYS 7 CO 0.53 0.25 2.01 0.28 -0.92 0.00 0.00 175.35 177.50 2jpp n VAL 8 N -0.36 0.56 0.00 3.17 0.31 -1.26 -1.31 118.33 119.44 2jpp n VAL 8 Ca -0.08 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2jpp n VAL 8 Cb 0.60 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 2jpp n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jpp n GLY 9 N 4.92 0.57 3.63 2.92 0.00 0.05 -5.01 105.19 112.28 2jpp n GLY 9 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2jpp n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jpp n GLU 10 N -1.27 -0.06 -4.11 1.61 1.02 -0.43 -4.86 120.64 112.54 2jpp n GLU 10 Ca 0.00 -2.54 -0.12 0.00 -0.02 0.00 0.00 57.16 54.48 2jpp n GLU 10 Cb 0.00 -0.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.73 2jpp n GLU 10 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2jpp s SER 11 N -4.80 0.27 0.30 1.62 0.01 -1.26 -1.70 113.70 108.13 2jpp s SER 11 Ca 0.62 -1.25 0.09 0.00 1.31 0.00 0.00 55.95 56.72 2jpp s SER 11 Cb -0.04 0.51 -0.06 0.00 0.21 0.00 0.00 66.02 66.65 2jpp s SER 11 CO 0.41 -1.04 -0.10 -0.63 0.41 0.00 0.00 173.24 172.29 2jpp s ILE 12 N -3.89 2.03 -0.02 1.44 -1.09 -0.80 -4.94 121.20 113.94 2jpp s ILE 12 Ca 0.31 -2.21 0.02 0.00 -2.23 0.00 0.00 60.65 56.54 2jpp s ILE 12 Cb 0.03 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.43 2jpp s ILE 12 CO 0.13 -0.30 -0.08 0.20 -1.23 0.00 0.00 174.94 173.66 2jpp s ASN 13 N -3.51 0.99 0.02 3.58 -0.87 -1.26 -0.98 114.94 112.91 2jpp s ASN 13 Ca 0.30 -0.15 0.03 0.00 -1.57 0.00 0.00 52.86 51.47 2jpp s ASN 13 Cb 0.01 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.25 41.02 2jpp s ASN 13 CO 0.14 0.07 -0.08 -0.63 -2.57 0.00 0.00 177.10 174.02 2jpp s ILE 14 N 0.08 0.64 -0.17 0.60 -1.09 -0.80 -4.84 121.20 115.62 2jpp s ILE 14 Ca -0.01 -0.66 0.00 0.00 -2.23 0.00 0.00 60.65 57.76 2jpp s ILE 14 Cb -0.06 -0.60 0.00 0.00 -1.58 0.00 0.00 42.46 40.22 2jpp s ILE 14 CO -0.00 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 2jpp n GLY 15 N 2.29 0.15 3.20 6.18 0.00 -1.26 -1.25 105.19 114.50 2jpp n GLY 15 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2jpp n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jpp n ASP 16 N -0.41 -4.31 0.00 1.61 8.00 -1.26 -4.67 116.55 115.51 2jpp n ASP 16 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2jpp n ASP 16 Cb 0.43 -3.07 0.00 0.00 -0.02 0.00 0.00 41.12 38.46 2jpp n ASP 16 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2jpp n ASP 17 N -0.70 0.40 -4.31 -2.24 8.00 -1.00 -5.09 116.55 111.62 2jpp n ASP 17 Ca 0.00 -0.96 -0.24 0.00 0.71 0.00 0.00 54.79 54.30 2jpp n ASP 17 Cb 0.35 0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.35 2jpp n ASP 17 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2jpp s ILE 18 N -0.02 1.80 -0.01 0.53 1.01 -0.38 -4.47 121.20 119.65 2jpp s ILE 18 Ca 0.00 -1.65 0.01 0.00 0.00 0.00 0.00 60.65 59.01 2jpp s ILE 18 Cb 0.00 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.81 2jpp s ILE 18 CO 0.00 -0.10 -0.03 -0.89 0.00 0.00 0.00 174.94 173.92 2jpp s THR 19 N -1.33 0.29 -0.57 2.92 2.01 0.11 -1.90 115.64 117.16 2jpp s THR 19 Ca 0.09 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 62.02 2jpp s THR 19 Cb -0.09 -0.28 0.14 0.00 0.01 0.00 0.00 72.50 72.28 2jpp s THR 19 CO 0.05 0.11 0.34 -0.63 -0.69 0.00 0.00 174.62 173.79 2jpp s ILE 20 N 0.21 2.52 0.68 1.82 -1.09 -0.15 -0.27 121.20 124.92 2jpp s ILE 20 Ca -0.02 -3.55 -0.12 0.00 -2.23 0.00 0.00 60.65 54.74 2jpp s ILE 20 Cb -0.05 -2.71 0.00 0.00 -1.58 0.00 0.00 42.46 38.12 2jpp s ILE 20 CO -0.00 -0.89 1.06 -0.89 -1.23 0.00 0.00 174.94 172.99 2jpp s THR 21 N -0.60 3.91 -0.36 2.92 2.01 -0.27 -1.91 115.64 121.34 2jpp s THR 21 Ca 0.20 0.69 0.04 0.00 0.31 0.00 0.00 61.69 62.93 2jpp s THR 21 Cb -0.18 -3.35 0.10 0.00 0.01 0.00 0.00 72.50 69.08 2jpp s THR 21 CO -0.06 -0.75 0.08 -0.51 -0.69 0.00 0.00 174.62 172.69 2jpp s ILE 22 N -2.89 2.32 0.12 1.82 1.10 -0.69 -0.55 121.20 122.43 2jpp s ILE 22 Ca 0.60 -2.46 0.20 0.00 -0.51 0.00 0.00 60.65 58.47 2jpp s ILE 22 Cb -0.15 -2.71 0.16 0.00 0.15 0.00 0.00 42.46 39.91 2jpp s ILE 22 CO 0.51 -0.62 1.72 -0.07 -2.11 0.00 0.00 174.94 174.37 2jpp h LEU 23 N 7.48 0.00 0.00 8.50 3.38 -1.18 0.19 115.31 133.68 2jpp h LEU 23 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jpp h LEU 23 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2jpp h LEU 23 CO 0.54 0.34 0.00 0.61 0.09 0.00 0.00 178.44 180.03 2jpp n GLY 24 N 0.33 -2.06 3.29 0.83 0.00 -1.03 -4.63 105.19 101.92 2jpp n GLY 24 Ca 0.00 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.53 2jpp n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpp s VAL 25 N -2.55 1.65 -0.42 1.61 0.11 -1.26 -0.92 120.40 118.62 2jpp s VAL 25 Ca 0.00 -1.70 0.06 0.00 -2.93 0.00 0.00 61.98 57.41 2jpp s VAL 25 Cb 0.00 -1.63 0.22 0.00 -1.53 0.00 0.00 36.38 33.44 2jpp s VAL 25 CO 0.00 -0.23 0.53 -1.20 -3.33 0.00 0.00 175.10 170.87 2jpp n SER 26 N 0.70 -0.68 0.00 3.54 7.64 0.11 -4.94 113.62 119.99 2jpp n SER 26 Ca -0.16 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.03 2jpp n SER 26 Cb 0.55 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2jpp n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jpp n GLY 27 N 1.98 1.94 0.00 0.23 0.00 -1.26 -1.32 105.19 106.77 2jpp n GLY 27 Ca 0.22 0.36 0.08 0.00 0.00 0.00 0.00 46.02 46.68 2jpp n GLY 27 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jpp n GLN 28 N 2.89 0.09 -4.44 1.61 -0.06 -1.26 -4.83 117.38 111.38 2jpp n GLN 28 Ca 0.00 0.18 -0.26 0.00 -2.00 0.00 0.00 57.00 54.92 2jpp n GLN 28 Cb 0.00 -1.50 -0.10 0.00 -4.06 0.00 0.00 30.24 24.58 2jpp n GLN 28 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2jpp s GLN 29 N -2.84 1.97 -0.07 3.69 -0.21 -0.43 -5.15 119.66 116.63 2jpp s GLN 29 Ca 0.11 -1.87 -0.03 0.00 0.02 0.00 0.00 55.36 53.58 2jpp s GLN 29 Cb 0.11 -1.81 0.04 0.00 1.00 0.00 0.00 33.01 32.35 2jpp s GLN 29 CO 0.29 0.10 0.16 0.08 -2.12 0.00 0.00 175.29 173.80 2jpp s VAL 30 N -2.58 -0.05 -0.41 1.09 1.01 -1.26 -0.71 120.40 117.49 2jpp s VAL 30 Ca 0.34 0.17 -0.13 0.00 0.00 0.00 0.00 61.98 62.36 2jpp s VAL 30 Cb 0.02 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.17 2jpp s VAL 30 CO 0.18 0.07 0.28 -0.60 0.00 0.00 0.00 175.10 175.03 2jpp s ARG 31 N 1.19 2.90 0.17 2.72 3.52 -0.09 -4.99 118.95 124.37 2jpp s ARG 31 Ca -0.09 -1.10 0.04 0.00 -0.13 0.00 0.00 55.73 54.45 2jpp s ARG 31 Cb -0.11 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.34 2jpp s ARG 31 CO -0.06 -0.77 0.22 0.42 -0.81 0.00 0.00 175.30 174.30 2jpp s ILE 32 N 1.62 4.91 -0.40 4.11 1.01 -1.26 -0.61 121.20 130.58 2jpp s ILE 32 Ca 0.04 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.78 2jpp s ILE 32 Cb -0.20 -3.54 0.11 0.00 0.01 0.00 0.00 42.46 38.84 2jpp s ILE 32 CO 0.08 -0.14 0.15 -0.83 0.00 0.00 0.00 174.94 174.19 2jpp s GLY 33 N -3.31 1.86 -0.55 6.18 0.00 0.29 -4.82 107.32 106.97 2jpp s GLY 33 Ca 0.33 -2.58 -0.23 0.00 0.00 0.00 0.00 44.72 42.24 2jpp s GLY 33 CO 0.26 1.19 0.89 -0.42 0.00 0.00 0.00 173.10 175.02 2jpp s ILE 34 N 0.63 4.47 -0.38 0.90 1.01 -1.26 -1.11 121.20 125.46 2jpp s ILE 34 Ca 0.13 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 2jpp s ILE 34 Cb -0.21 -4.51 0.07 0.00 0.01 0.00 0.00 42.46 37.81 2jpp s ILE 34 CO -0.08 -1.08 0.17 0.21 0.00 0.00 0.00 174.94 174.16 2jpp s ASN 35 N 2.88 5.41 0.04 3.58 2.47 0.63 -5.01 114.94 124.94 2jpp s ASN 35 Ca 0.27 -1.42 -0.01 0.00 0.42 0.00 0.00 52.86 52.12 2jpp s ASN 35 Cb -0.14 -1.90 -0.03 0.00 -1.45 0.00 0.00 41.25 37.73 2jpp s ASN 35 CO 0.17 -0.44 -0.03 0.00 -3.72 0.00 0.00 177.10 173.08 2jpp s ALA 36 N 1.36 0.35 0.76 1.71 0.00 -1.26 -0.71 121.76 123.97 2jpp s ALA 36 Ca 0.01 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2jpp s ALA 36 Cb -0.21 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.17 2jpp s ALA 36 CO 0.01 -0.28 1.08 -1.25 0.00 0.00 0.00 175.76 175.32 2jpp s PRO 37 N -2.89 2.36 0.00 0.00 0.04 -1.26 -4.92 135.00 128.33 2jpp s PRO 37 Ca -0.03 0.82 0.15 0.00 0.04 0.00 0.00 61.00 61.98 2jpp s PRO 37 Cb 0.00 -1.94 0.86 0.00 0.04 0.00 0.00 34.50 33.47 2jpp s PRO 37 CO -0.06 -1.47 1.34 1.63 0.04 0.00 0.00 177.00 178.48 2jpp n LYS 38 N -3.36 0.40 0.00 4.56 4.76 -1.26 -2.14 118.16 121.12 2jpp n LYS 38 Ca 0.07 0.04 0.09 0.00 -2.87 0.00 0.00 58.31 55.65 2jpp n LYS 38 Cb 0.55 -1.50 0.42 0.00 -1.84 0.00 0.00 35.03 32.66 2jpp n LYS 38 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2jpp n ASP 39 N -1.08 0.00 -4.21 4.39 8.00 -1.26 -4.81 116.55 117.58 2jpp n ASP 39 Ca 0.10 0.43 -0.15 0.00 0.71 0.00 0.00 54.79 55.88 2jpp n ASP 39 Cb 0.07 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 2jpp n ASP 39 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2jpp s VAL 40 N -2.94 0.32 0.30 2.53 -7.23 -0.91 -5.18 120.40 107.29 2jpp s VAL 40 Ca 0.11 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.37 2jpp s VAL 40 Cb 0.13 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 2jpp s VAL 40 CO 0.34 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 175.15 2jpp s ALA 41 N -3.87 3.20 -0.21 1.32 0.00 -1.26 -4.85 121.76 116.09 2jpp s ALA 41 Ca 0.38 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 2jpp s ALA 41 Cb 0.07 -0.62 0.10 0.00 0.00 0.00 0.00 23.12 22.67 2jpp s ALA 41 CO 0.14 0.17 0.41 0.54 0.00 0.00 0.00 175.76 177.02 2jpp s VAL 42 N -2.41 -0.64 0.13 0.00 0.11 -1.26 -5.11 120.40 111.22 2jpp s VAL 42 Ca 0.33 0.13 -0.05 0.00 -2.93 0.00 0.00 61.98 59.46 2jpp s VAL 42 Cb -0.04 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2jpp s VAL 42 CO 0.20 0.04 0.16 -1.00 -3.33 0.00 0.00 175.10 171.17 2jpp s HIS 43 N 2.60 0.54 0.66 1.54 3.76 -1.26 -5.11 115.29 118.03 2jpp s HIS 43 Ca 0.01 -0.93 -0.06 0.00 -0.15 0.00 0.00 55.06 53.93 2jpp s HIS 43 Cb -0.13 -0.24 0.04 0.00 1.11 0.00 0.00 32.58 33.37 2jpp s HIS 43 CO -0.13 -0.60 0.97 -0.98 -0.85 0.00 0.00 174.74 173.15 2jpp s ARG 44 N -3.98 2.42 0.19 1.40 1.70 -1.26 -4.82 118.95 114.60 2jpp s ARG 44 Ca 0.17 -0.23 -0.10 0.00 -0.47 0.00 0.00 55.73 55.10 2jpp s ARG 44 Cb 0.05 -2.22 0.10 0.00 -0.57 0.00 0.00 34.95 32.32 2jpp s ARG 44 CO -0.02 -1.05 1.73 1.49 -1.08 0.00 0.00 175.30 176.37 2jpp h GLU 45 N -0.43 1.03 0.00 3.89 4.57 -2.02 0.20 114.58 121.82 2jpp h GLU 45 Ca -0.44 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 2jpp h GLU 45 Cb 1.30 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2jpp h GLU 45 CO 0.60 0.88 0.00 0.39 -1.18 0.00 0.00 179.01 179.70 2jpp n GLU 46 N -4.35 0.72 0.00 1.92 1.02 -1.26 -3.46 120.64 115.23 2jpp n GLU 46 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2jpp n GLU 46 Cb 0.20 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2jpp n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2jpp n ILE 47 N -0.92 0.00 0.38 -3.67 2.08 -0.99 -4.66 119.36 111.58 2jpp n ILE 47 Ca 0.14 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.29 2jpp n ILE 47 Cb 0.07 -0.05 -0.08 0.00 -0.75 0.00 0.00 39.64 38.83 2jpp n ILE 47 CO 0.00 0.00 0.00 0.22 0.56 0.00 0.00 176.55 177.33 2jpp h TYR 48 N 0.00 -0.90 0.00 1.39 3.20 -0.63 -2.96 116.97 117.07 2jpp h TYR 48 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2jpp h TYR 48 Cb 0.15 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2jpp h TYR 48 CO 0.00 -0.54 0.00 1.04 -1.64 0.00 0.00 178.16 177.02 2jpp n GLN 49 N -5.44 0.13 0.09 1.82 6.02 -1.25 -1.86 117.38 116.89 2jpp n GLN 49 Ca -0.13 0.46 0.12 0.00 -0.01 0.00 0.00 57.00 57.44 2jpp n GLN 49 Cb 0.40 -1.79 0.46 0.00 1.02 0.00 0.00 30.24 30.32 2jpp n GLN 49 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2jpp n ARG 50 N -2.04 0.18 -0.01 -1.09 0.63 -1.12 -3.38 116.66 109.84 2jpp n ARG 50 Ca 0.01 0.25 -0.17 0.00 -0.92 0.00 0.00 57.85 57.02 2jpp n ARG 50 Cb 0.14 -1.75 -0.10 0.00 0.45 0.00 0.00 32.46 31.20 2jpp n ARG 50 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2jpp h ILE 51 N 0.00 1.38 0.00 5.15 2.04 -1.39 -3.16 117.51 121.54 2jpp h ILE 51 Ca 0.00 -1.96 0.00 0.00 1.00 0.00 0.00 64.86 63.90 2jpp h ILE 51 Cb 0.54 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 2jpp h ILE 51 CO 0.00 0.58 0.00 0.00 0.00 0.00 0.00 178.15 178.73 2jpp n GLN 52 N -4.19 0.00 0.00 2.37 3.00 -1.22 -5.18 117.38 112.16 2jpp n GLN 52 Ca -0.09 0.26 0.07 0.00 -0.01 0.00 0.00 57.00 57.23 2jpp n GLN 52 Cb 0.65 -1.50 0.43 0.00 0.00 0.00 0.00 30.24 29.82 2jpp n GLN 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06