#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7m s TRP 2 N 0.00 3.60 -1.39 7.33 -0.11 -1.26 -4.97 118.94 122.14 1j7m s TRP 2 Ca 0.00 1.25 -0.14 0.00 1.22 0.00 0.00 56.10 58.43 1j7m s TRP 2 Cb 0.00 -2.79 0.07 0.00 -1.50 0.00 0.00 33.47 29.26 1j7m s TRP 2 CO 0.00 0.12 2.04 0.00 -4.62 0.00 0.00 176.95 174.49 1j7m n MET 3 N 3.63 3.06 -1.39 5.86 0.00 -1.26 -4.97 117.12 122.05 1j7m n MET 3 Ca -0.02 -2.94 -0.31 0.00 0.00 0.00 0.00 57.70 54.44 1j7m n MET 3 Cb 0.51 -3.26 0.08 0.00 0.00 0.00 0.00 33.22 30.55 1j7m n MET 3 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1j7m s SER 4 N 3.03 4.65 0.46 3.17 0.01 -1.26 -4.11 113.70 119.63 1j7m s SER 4 Ca 0.47 1.64 0.08 0.00 1.31 0.00 0.00 55.95 59.45 1j7m s SER 4 Cb 0.11 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.96 1j7m s SER 4 CO -0.04 -1.91 0.57 0.42 0.41 0.00 0.00 173.24 172.69 1j7m s THR 5 N -2.99 2.71 0.00 1.44 -4.23 -0.04 -4.80 115.64 107.73 1j7m s THR 5 Ca 0.60 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1j7m s THR 5 Cb -0.16 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1j7m s THR 5 CO 0.56 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 175.16 1j7m n VAL 6 N -1.87 0.00 0.00 2.29 0.31 -0.63 -4.45 118.33 113.98 1j7m n VAL 6 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1j7m n VAL 6 Cb 0.60 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1j7m n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j7m n GLY 7 N 5.00 2.08 6.51 2.92 0.00 -1.26 0.13 105.19 120.56 1j7m n GLY 7 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1j7m n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j7m n GLY 8 N 0.00 1.03 0.00 -0.02 0.00 -1.26 -4.56 105.19 100.38 1j7m n GLY 8 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1j7m n GLY 8 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j7m n ASN 9 N -2.40 0.00 -0.09 1.61 2.04 -0.82 -4.92 115.26 110.67 1j7m n ASN 9 Ca 0.00 -1.00 -0.10 0.00 -0.44 0.00 0.00 54.58 53.04 1j7m n ASN 9 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 1j7m n ASN 9 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1j7m n SER 10 N 0.00 1.88 0.00 0.53 7.64 -1.20 -5.00 113.62 117.47 1j7m n SER 10 Ca 0.00 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1j7m n SER 10 Cb 0.37 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1j7m n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j7m n GLY 11 N 1.50 2.32 0.26 0.23 0.00 -1.26 -4.08 105.19 104.16 1j7m n GLY 11 Ca -0.17 0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.05 1j7m n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j7m h GLY 12 N 0.00 0.00 -3.91 -0.02 0.00 -1.95 -0.06 103.07 97.13 1j7m h GLY 12 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1j7m h GLY 12 CO 0.00 0.00 0.32 0.00 0.00 0.00 0.00 176.54 176.86 1j7m s ALA 13 N -3.62 3.34 0.65 3.60 0.00 -1.26 -4.60 121.76 119.87 1j7m s ALA 13 Ca 0.02 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 1j7m s ALA 13 Cb 0.09 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 20.09 1j7m s ALA 13 CO 0.53 0.17 0.92 -1.25 0.00 0.00 0.00 175.76 176.13 1j7m s PRO 14 N -0.91 2.31 0.28 0.00 0.04 -1.26 -3.13 135.00 132.33 1j7m s PRO 14 Ca 0.41 -0.48 -0.29 0.00 0.04 0.00 0.00 61.00 60.68 1j7m s PRO 14 Cb -0.25 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 1j7m s PRO 14 CO 0.30 -1.05 1.05 0.00 0.04 0.00 0.00 177.00 177.34 1j7m s VAL 16 N -1.21 4.23 -0.05 0.00 1.01 0.15 -4.95 120.40 119.58 1j7m s VAL 16 Ca 0.45 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1j7m s VAL 16 Cb -0.29 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1j7m s VAL 16 CO 0.37 -0.30 -0.05 -0.36 0.00 0.00 0.00 175.10 174.77 1j7m s PHE 17 N 1.47 2.98 0.02 5.22 0.08 -1.26 -2.41 117.98 124.08 1j7m s PHE 17 Ca 0.01 0.05 -0.24 0.00 0.12 0.00 0.00 56.93 56.87 1j7m s PHE 17 Cb -0.20 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1j7m s PHE 17 CO 0.04 0.38 0.73 -1.25 -0.10 0.00 0.00 175.22 175.02 1j7m s PRO 18 N -1.02 4.45 0.07 0.24 0.05 -1.26 -5.09 135.00 132.44 1j7m s PRO 18 Ca 0.14 0.98 0.01 0.00 0.05 0.00 0.00 61.00 62.19 1j7m s PRO 18 Cb -0.11 -3.37 0.01 0.00 0.05 0.00 0.00 34.50 31.08 1j7m s PRO 18 CO 0.04 0.27 0.08 1.97 0.05 0.00 0.00 177.00 179.41 1j7m n PHE 19 N 2.92 -2.49 -3.65 0.56 -1.74 0.43 -4.84 117.46 108.65 1j7m n PHE 19 Ca -0.03 -0.26 -0.15 0.00 -0.56 0.00 0.00 57.45 56.45 1j7m n PHE 19 Cb 0.50 -0.06 -0.14 0.00 1.52 0.00 0.00 39.48 41.30 1j7m n PHE 19 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1j7m s THR 20 N 0.31 -0.36 -0.14 1.97 2.01 -1.11 0.72 115.64 119.05 1j7m s THR 20 Ca 0.06 0.28 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 1j7m s THR 20 Cb -0.01 -0.41 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1j7m s THR 20 CO 0.04 0.10 -0.05 0.12 -0.69 0.00 0.00 174.62 174.15 1j7m s PHE 21 N 2.37 3.01 -1.37 4.92 5.36 0.14 -1.54 117.98 130.87 1j7m s PHE 21 Ca 0.02 -0.28 -0.11 0.00 -0.96 0.00 0.00 56.93 55.60 1j7m s PHE 21 Cb -0.12 -1.92 0.11 0.00 -0.34 0.00 0.00 43.02 40.75 1j7m s PHE 21 CO -0.08 0.00 0.28 1.28 -1.46 0.00 0.00 175.22 175.24 1j7m n LEU 22 N 3.37 -0.69 0.00 6.12 7.99 -1.26 0.43 117.00 132.95 1j7m n LEU 22 Ca -0.17 -0.99 0.00 0.00 -0.01 0.00 0.00 56.01 54.84 1j7m n LEU 22 Cb 0.53 -1.25 0.00 0.00 -0.11 0.00 0.00 43.42 42.59 1j7m n LEU 22 CO 0.32 0.20 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 1j7m n GLY 23 N -1.47 0.53 3.44 -0.72 0.00 -1.26 -5.07 105.19 100.63 1j7m n GLY 23 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1j7m n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j7m s ASN 24 N -2.08 4.16 -0.14 1.61 0.01 0.17 -5.09 114.94 113.58 1j7m s ASN 24 Ca 0.00 -0.24 -0.29 0.00 -0.71 0.00 0.00 52.86 51.62 1j7m s ASN 24 Cb 0.00 -1.35 -0.01 0.00 0.41 0.00 0.00 41.25 40.30 1j7m s ASN 24 CO 0.00 0.24 1.11 -0.54 -1.51 0.00 0.00 177.10 176.40 1j7m s LYS 25 N -0.09 4.33 -0.24 -0.60 1.02 -1.26 0.25 119.74 123.14 1j7m s LYS 25 Ca -0.01 1.50 -0.05 0.00 0.02 0.00 0.00 55.97 57.43 1j7m s LYS 25 Cb -0.14 -3.61 -0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1j7m s LYS 25 CO 0.03 -0.50 -0.00 0.71 -0.92 0.00 0.00 175.35 174.67 1j7m s TYR 26 N 2.65 3.03 -0.74 3.18 2.02 0.22 -4.93 117.35 122.78 1j7m s TYR 26 Ca 0.50 -0.97 0.22 0.00 -0.37 0.00 0.00 57.07 56.46 1j7m s TYR 26 Cb -0.19 -2.15 -0.07 0.00 -0.40 0.00 0.00 41.96 39.15 1j7m s TYR 26 CO 0.15 -0.56 0.94 0.39 -1.57 0.00 0.00 175.55 174.91 1j7m n GLU 27 N 4.81 0.18 -3.27 -0.62 1.02 -1.26 -0.43 120.64 121.08 1j7m n GLU 27 Ca -0.17 -0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 56.81 1j7m n GLU 27 Cb 0.50 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 1j7m n GLU 27 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1j7m n SER 28 N -1.75 0.77 -4.35 1.62 3.41 -1.26 -4.87 113.62 107.19 1j7m n SER 28 Ca 0.02 -2.17 -0.29 0.00 -0.26 0.00 0.00 58.87 56.18 1j7m n SER 28 Cb 0.40 0.63 0.24 0.00 -0.26 0.00 0.00 64.21 65.21 1j7m n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m s THR 30 N -2.64 0.00 -0.06 0.00 -1.32 -0.10 -4.99 115.64 106.54 1j7m s THR 30 Ca 0.68 -1.44 0.13 0.00 -1.21 0.00 0.00 61.69 59.85 1j7m s THR 30 Cb -0.20 -2.40 0.25 0.00 -1.51 0.00 0.00 72.50 68.64 1j7m s THR 30 CO 0.61 0.00 1.11 -1.54 -2.21 0.00 0.00 174.62 172.59 1j7m n SER 31 N -0.75 1.00 -4.76 8.08 3.41 -1.26 0.53 113.62 119.86 1j7m n SER 31 Ca -0.01 -2.50 -0.41 0.00 -0.26 0.00 0.00 58.87 55.69 1j7m n SER 31 Cb 0.62 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 1j7m n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m s ALA 32 N -1.03 3.66 0.00 7.33 0.00 -1.26 -1.45 121.76 129.01 1j7m s ALA 32 Ca 0.22 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1j7m s ALA 32 Cb 0.23 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1j7m s ALA 32 CO -0.06 -1.02 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1j7m n GLY 33 N 1.34 0.99 0.08 0.00 0.00 -1.26 -4.78 105.19 101.57 1j7m n GLY 33 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1j7m n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j7m n ARG 34 N -2.00 0.00 -1.61 1.61 1.74 -0.66 -5.00 116.66 110.74 1j7m n ARG 34 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 1j7m n ARG 34 Cb 0.00 -0.03 -0.05 0.00 -1.02 0.00 0.00 32.46 31.36 1j7m n ARG 34 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1j7m n SER 35 N -1.38 -4.78 -0.11 0.55 7.64 -0.53 -4.85 113.62 110.15 1j7m n SER 35 Ca 0.00 0.30 -0.14 0.00 1.01 0.00 0.00 58.87 60.03 1j7m n SER 35 Cb 0.00 -3.68 -0.14 0.00 -1.01 0.00 0.00 64.21 59.38 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1j7m n ASP 36 N -0.54 1.12 0.00 6.43 5.68 -1.26 -5.02 116.55 122.95 1j7m n ASP 36 Ca -0.16 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.07 1j7m n ASP 36 Cb 0.53 0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 1j7m n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j7m n GLY 37 N 2.02 3.65 3.58 6.12 0.00 -1.26 -5.09 105.19 114.21 1j7m n GLY 37 Ca -0.39 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 44.68 1j7m n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j7m s LYS 38 N 0.00 2.99 0.30 1.61 1.02 -1.26 -4.96 119.74 119.43 1j7m s LYS 38 Ca 0.00 1.41 -0.20 0.00 0.02 0.00 0.00 55.97 57.20 1j7m s LYS 38 Cb 0.00 -4.32 -0.09 0.00 -0.52 0.00 0.00 37.83 32.90 1j7m s LYS 38 CO 0.00 -2.27 0.80 -1.64 -0.92 0.00 0.00 175.35 171.32 1j7m s MET 39 N 6.42 4.24 0.00 1.68 -1.94 -1.26 -4.81 119.30 123.63 1j7m s MET 39 Ca 0.84 0.93 0.00 0.00 -1.71 0.00 0.00 55.69 55.75 1j7m s MET 39 Cb -0.22 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 33.97 1j7m s MET 39 CO 0.31 0.25 0.00 -2.67 -0.01 0.00 0.00 175.02 172.89 1j7m n TRP 40 N 0.20 0.00 -3.46 -0.03 4.27 0.19 -0.26 117.44 118.35 1j7m n TRP 40 Ca 0.01 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.48 1j7m n TRP 40 Cb 0.52 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.43 1j7m n TRP 40 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1j7m s ALA 42 N -2.74 3.33 -1.62 0.00 0.00 -1.26 -0.68 121.76 118.79 1j7m s ALA 42 Ca -0.04 0.23 0.20 0.00 0.00 0.00 0.00 51.96 52.36 1j7m s ALA 42 Cb -0.01 -2.91 0.61 0.00 0.00 0.00 0.00 23.12 20.82 1j7m s ALA 42 CO -0.04 0.28 1.52 0.25 0.00 0.00 0.00 175.76 177.77 1j7m n THR 43 N 0.41 1.19 -4.14 0.00 -2.24 0.13 -0.68 114.28 108.96 1j7m n THR 43 Ca 0.00 -1.06 -0.15 0.00 -2.27 0.00 0.00 64.05 60.58 1j7m n THR 43 Cb 0.51 0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 69.04 1j7m n THR 43 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1j7m s THR 44 N -1.20 0.86 0.24 4.28 -4.23 -1.26 -4.58 115.64 109.75 1j7m s THR 44 Ca 0.46 -1.36 -0.06 0.00 -1.18 0.00 0.00 61.69 59.55 1j7m s THR 44 Cb 0.25 -1.03 0.20 0.00 1.34 0.00 0.00 72.50 73.27 1j7m s THR 44 CO 0.29 -0.40 1.86 0.00 -0.54 0.00 0.00 174.62 175.82 1j7m h ALA 45 N 4.09 1.14 -3.84 3.99 0.00 -1.91 -3.37 119.26 119.35 1j7m h ALA 45 Ca -0.38 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.85 1j7m h ALA 45 Cb 1.19 -0.24 -0.37 0.00 0.00 0.00 0.00 17.79 18.37 1j7m h ALA 45 CO 0.45 0.29 -0.80 1.21 0.00 0.00 0.00 179.25 180.41 1j7m s ASN 46 N -5.79 4.40 0.18 0.00 3.84 -1.26 -2.74 114.94 113.57 1j7m s ASN 46 Ca -0.13 -1.39 -0.05 0.00 0.21 0.00 0.00 52.86 51.50 1j7m s ASN 46 Cb 0.18 -1.51 0.07 0.00 -0.55 0.00 0.00 41.25 39.44 1j7m s ASN 46 CO 0.79 -0.20 1.50 0.22 -2.79 0.00 0.00 177.10 176.62 1j7m h TYR 47 N 7.79 0.81 -0.85 0.43 5.03 -1.45 -3.04 116.97 125.69 1j7m h TYR 47 Ca -0.19 -0.28 0.17 0.00 2.58 0.00 0.00 58.73 61.01 1j7m h TYR 47 Cb 1.04 -0.16 -0.06 0.00 1.55 0.00 0.00 36.73 39.10 1j7m h TYR 47 CO 0.62 1.03 0.56 -0.44 -1.32 0.00 0.00 178.16 178.61 1j7m h ASP 48 N 0.52 0.48 0.01 -2.11 5.19 -1.94 0.61 116.42 119.18 1j7m h ASP 48 Ca 0.02 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1j7m h ASP 48 Cb 1.06 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1j7m h ASP 48 CO 0.10 0.23 -0.01 0.44 -3.12 0.00 0.00 179.24 176.89 1j7m h ASP 49 N 0.50 -0.01 1.29 6.45 3.32 -1.89 -3.40 116.42 122.68 1j7m h ASP 49 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1j7m h ASP 49 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1j7m h ASP 49 CO -0.17 0.01 -0.52 0.44 -1.72 0.00 0.00 179.24 177.29 1j7m h ASP 50 N -0.07 0.00 -6.73 6.45 3.32 -1.55 -3.48 116.42 114.36 1j7m h ASP 50 Ca -0.00 -0.06 -0.55 0.00 0.02 0.00 0.00 57.03 56.44 1j7m h ASP 50 Cb 0.01 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.48 1j7m h ASP 50 CO 0.00 0.03 -0.94 0.54 -1.72 0.00 0.00 179.24 177.15 1j7m n ARG 51 N -2.59 -1.87 -4.14 3.56 1.74 0.21 -4.95 116.66 108.62 1j7m n ARG 51 Ca 0.03 0.26 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 1j7m n ARG 51 Cb 0.50 -3.89 -0.14 0.00 -1.02 0.00 0.00 32.46 27.90 1j7m n ARG 51 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1j7m s LYS 52 N -6.90 3.31 0.35 5.56 1.02 -1.26 -5.05 119.74 116.76 1j7m s LYS 52 Ca 0.11 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.46 1j7m s LYS 52 Cb -0.05 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.37 1j7m s LYS 52 CO 0.94 -0.11 0.09 1.67 -0.92 0.00 0.00 175.35 177.02 1j7m s TRP 53 N 1.20 1.83 -0.27 3.18 1.48 -1.26 -0.69 118.94 124.40 1j7m s TRP 53 Ca 0.02 -1.12 -0.25 0.00 -1.06 0.00 0.00 56.10 53.69 1j7m s TRP 53 Cb -0.14 -1.18 0.12 0.00 -1.16 0.00 0.00 33.47 31.11 1j7m s TRP 53 CO -0.03 -0.16 1.00 0.20 -4.06 0.00 0.00 176.95 173.90 1j7m s GLY 54 N -3.51 -0.19 0.83 3.67 0.00 0.14 -1.95 107.32 106.31 1j7m s GLY 54 Ca 0.32 2.58 -0.12 0.00 0.00 0.00 0.00 44.72 47.50 1j7m s GLY 54 CO 0.15 1.77 1.15 -1.36 0.00 0.00 0.00 173.10 174.81 1j7m s PHE 55 N 0.14 1.96 -0.14 1.90 0.08 0.34 0.68 117.98 122.93 1j7m s PHE 55 Ca 0.03 1.69 -0.14 0.00 0.12 0.00 0.00 56.93 58.62 1j7m s PHE 55 Cb -0.05 -3.32 -0.05 0.00 -0.57 0.00 0.00 43.02 39.04 1j7m s PHE 55 CO -0.05 -2.53 0.32 0.00 -0.10 0.00 0.00 175.22 172.87 1j7m n PRO 57 N 3.44 0.93 -3.81 0.00 -0.04 -1.26 -4.34 135.00 129.92 1j7m n PRO 57 Ca -0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.06 1j7m n PRO 57 Cb 0.52 -1.03 -0.13 0.00 -0.04 0.00 0.00 33.50 32.82 1j7m n PRO 57 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1j7m s ASP 58 N -1.13 4.00 0.58 3.54 2.15 -1.26 -5.11 116.67 119.45 1j7m s ASP 58 Ca 0.03 -3.22 -0.14 0.00 0.43 0.00 0.00 52.55 49.66 1j7m s ASP 58 Cb 0.01 -1.35 -0.05 0.00 -0.30 0.00 0.00 42.92 41.23 1j7m s ASP 58 CO 0.02 -0.18 1.01 -1.10 -0.17 0.00 0.00 175.17 174.76 1j7m s GLN 59 N -0.50 3.69 0.00 4.34 -1.52 -1.26 -5.05 119.66 119.36 1j7m s GLN 59 Ca 0.22 0.87 0.00 0.00 -1.95 0.00 0.00 55.36 54.50 1j7m s GLN 59 Cb -0.15 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.55 1j7m s GLN 59 CO -0.08 -0.49 0.00 0.41 -0.25 0.00 0.00 175.29 174.88