#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 1.57 -0.64 7.33 0.52 -1.26 -4.93 118.94 121.53 1j7m s TRP 2 Ca 0.00 0.20 -0.06 0.00 0.02 0.00 0.00 56.10 56.27 1j7m s TRP 2 Cb 0.00 -3.93 -0.04 0.00 -1.15 0.00 0.00 33.47 28.35 1j7m s TRP 2 CO 0.00 -2.50 2.98 0.00 0.02 0.00 0.00 176.95 177.45 1j7m n MET 3 N -3.61 2.87 -1.22 4.98 0.00 -1.26 -4.96 117.12 113.92 1j7m n MET 3 Ca 0.15 -2.14 -0.32 0.00 0.00 0.00 0.00 57.70 55.39 1j7m n MET 3 Cb 0.60 -2.28 0.11 0.00 0.00 0.00 0.00 33.22 31.64 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 1.08 4.01 0.24 3.17 0.01 -1.26 -1.60 113.70 119.35 1j7m s SER 4 Ca 0.62 2.14 0.01 0.00 1.31 0.00 0.00 55.95 60.03 1j7m s SER 4 Cb 0.30 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.93 1j7m s SER 4 CO -0.11 -2.37 0.41 0.42 0.41 0.00 0.00 173.24 171.99 1j7m s THR 5 N -2.43 5.21 0.22 1.44 -4.23 -0.37 -4.30 115.64 111.17 1j7m s THR 5 Ca 0.68 -0.55 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 1j7m s THR 5 Cb -0.23 -3.79 -0.05 0.00 1.34 0.00 0.00 72.50 69.77 1j7m s THR 5 CO 0.51 -0.28 -0.07 0.54 -0.54 0.00 0.00 174.62 174.77 1j7m s VAL 6 N -1.98 1.37 0.00 2.29 0.11 -1.16 -4.10 120.40 116.93 1j7m s VAL 6 Ca 0.37 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.32 1j7m s VAL 6 Cb -0.10 -2.20 0.00 0.00 -1.53 0.00 0.00 36.38 32.55 1j7m s VAL 6 CO 0.30 -0.47 0.00 0.61 -3.33 0.00 0.00 175.10 172.22 1j7m n GLY 7 N -0.41 1.79 6.33 6.54 0.00 -1.26 0.24 105.19 118.41 1j7m n GLY 7 Ca -0.07 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.97 1.25 -0.02 0.00 -1.26 -4.54 105.19 101.59 1j7m n GLY 8 Ca 0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.50 0.03 -0.06 1.61 2.04 -0.56 -4.94 115.26 110.90 1j7m n ASN 9 Ca 0.00 -2.00 -0.01 0.00 -0.44 0.00 0.00 54.58 52.13 1j7m n ASN 9 Cb 0.00 -0.01 -0.01 0.00 -2.53 0.00 0.00 39.78 37.23 1j7m n ASN 9 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1j7m h SER 10 N 0.51 0.00 0.00 0.53 4.64 -1.79 -3.47 113.55 113.98 1j7m h SER 10 Ca -0.39 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1j7m h SER 10 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1j7m h SER 10 CO -0.09 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 1j7m n GLY 11 N 1.74 0.82 1.83 -0.77 0.00 -1.26 -4.67 105.19 102.89 1j7m n GLY 11 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1j7m n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j7m n GLY 12 N 0.00 0.54 3.87 -0.02 0.00 -1.26 -5.02 105.19 103.31 1j7m n GLY 12 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 1j7m n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j7m s ALA 13 N -2.24 3.57 -0.05 4.61 0.00 -1.26 -4.52 121.76 121.86 1j7m s ALA 13 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1j7m s ALA 13 Cb 0.00 -2.43 -0.02 0.00 0.00 0.00 0.00 23.12 20.67 1j7m s ALA 13 CO 0.00 0.51 0.95 -1.25 0.00 0.00 0.00 175.76 175.97 1j7m s PRO 14 N -2.81 4.48 0.13 0.00 0.04 -1.26 -1.24 135.00 134.35 1j7m s PRO 14 Ca 0.47 1.32 -0.31 0.00 0.04 0.00 0.00 61.00 62.52 1j7m s PRO 14 Cb -0.11 -3.49 -0.10 0.00 0.04 0.00 0.00 34.50 30.84 1j7m s PRO 14 CO 0.21 -0.14 1.71 0.00 0.04 0.00 0.00 177.00 178.82 1j7m s VAL 16 N 2.18 5.10 -0.01 0.00 1.01 -0.20 -4.95 120.40 123.52 1j7m s VAL 16 Ca 0.76 0.94 0.07 0.00 0.00 0.00 0.00 61.98 63.75 1j7m s VAL 16 Cb -0.44 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1j7m s VAL 16 CO 0.33 0.17 -0.24 -0.36 0.00 0.00 0.00 175.10 175.00 1j7m s PHE 17 N 1.73 2.41 0.05 5.22 0.08 -1.26 -2.80 117.98 123.40 1j7m s PHE 17 Ca 0.23 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.65 1j7m s PHE 17 Cb -0.15 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1j7m s PHE 17 CO 0.09 0.04 0.80 -1.25 -0.10 0.00 0.00 175.22 174.81 1j7m s PRO 18 N -0.79 4.52 -0.19 0.24 0.05 -1.26 -5.07 135.00 132.51 1j7m s PRO 18 Ca 0.11 1.12 -0.07 0.00 0.05 0.00 0.00 61.00 62.21 1j7m s PRO 18 Cb -0.10 -3.37 -0.04 0.00 0.05 0.00 0.00 34.50 31.04 1j7m s PRO 18 CO 0.00 0.25 0.05 -0.59 0.05 0.00 0.00 177.00 176.76 1j7m s PHE 19 N 0.05 3.18 -0.20 0.56 -0.71 0.13 -4.73 117.98 116.24 1j7m s PHE 19 Ca 0.40 -0.08 -0.20 0.00 -1.04 0.00 0.00 56.93 56.01 1j7m s PHE 19 Cb -0.21 -2.09 -0.03 0.00 -1.21 0.00 0.00 43.02 39.49 1j7m s PHE 19 CO 0.24 0.02 0.61 0.99 -1.34 0.00 0.00 175.22 175.74 1j7m s THR 20 N 0.61 5.03 -0.10 -4.49 2.01 -0.94 0.57 115.64 118.33 1j7m s THR 20 Ca 0.02 1.14 0.02 0.00 0.31 0.00 0.00 61.69 63.19 1j7m s THR 20 Cb -0.13 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1j7m s THR 20 CO 0.02 0.12 -0.19 0.12 -0.69 0.00 0.00 174.62 173.99 1j7m s PHE 21 N 1.90 2.66 -1.33 4.92 5.36 0.16 -1.49 117.98 130.16 1j7m s PHE 21 Ca 0.28 -0.78 -0.07 0.00 -0.96 0.00 0.00 56.93 55.40 1j7m s PHE 21 Cb -0.16 -1.75 0.07 0.00 -0.34 0.00 0.00 43.02 40.85 1j7m s PHE 21 CO 0.10 -0.27 0.19 1.28 -1.46 0.00 0.00 175.22 175.06 1j7m n LEU 22 N 3.37 -0.72 0.00 6.12 7.99 -1.26 0.34 117.00 132.84 1j7m n LEU 22 Ca -0.18 -1.01 0.00 0.00 -0.01 0.00 0.00 56.01 54.81 1j7m n LEU 22 Cb 0.53 -1.26 0.00 0.00 -0.11 0.00 0.00 43.42 42.57 1j7m n LEU 22 CO 0.29 0.26 0.00 0.61 -1.51 0.00 0.00 177.39 177.03 1j7m n GLY 23 N -1.74 2.07 3.49 -0.72 0.00 -1.26 -5.06 105.19 101.96 1j7m n GLY 23 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.59 4.41 -0.18 1.61 0.01 0.15 -5.08 114.94 114.27 1j7m s ASN 24 Ca 0.00 -0.15 -0.29 0.00 -0.71 0.00 0.00 52.86 51.70 1j7m s ASN 24 Cb 0.00 -1.36 -0.00 0.00 0.41 0.00 0.00 41.25 40.30 1j7m s ASN 24 CO 0.00 0.27 1.08 -0.54 -1.51 0.00 0.00 177.10 176.40 1j7m s LYS 25 N -0.24 4.30 -0.30 -0.60 1.02 -1.26 0.40 119.74 123.05 1j7m s LYS 25 Ca 0.02 1.44 -0.06 0.00 0.02 0.00 0.00 55.97 57.39 1j7m s LYS 25 Cb -0.13 -3.63 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1j7m s LYS 25 CO 0.03 -0.56 0.08 0.71 -0.92 0.00 0.00 175.35 174.68 1j7m s TYR 26 N 2.92 3.16 -0.44 3.18 2.02 0.19 -4.92 117.35 123.47 1j7m s TYR 26 Ca 0.48 -1.09 0.23 0.00 -0.37 0.00 0.00 57.07 56.32 1j7m s TYR 26 Cb -0.17 -2.25 0.13 0.00 -0.40 0.00 0.00 41.96 39.27 1j7m s TYR 26 CO 0.11 -0.61 1.14 0.39 -1.57 0.00 0.00 175.55 175.01 1j7m n GLU 27 N 4.85 0.44 -3.17 -0.62 1.02 -1.26 0.17 120.64 122.07 1j7m n GLU 27 Ca -0.14 0.09 -0.13 0.00 -0.02 0.00 0.00 57.16 56.96 1j7m n GLU 27 Cb 0.47 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 30.12 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 -2.36 1.50 -4.65 1.62 3.41 -1.26 -4.83 113.62 107.05 1j7m n SER 28 Ca 0.01 -2.03 -0.29 0.00 -0.26 0.00 0.00 58.87 56.30 1j7m n SER 28 Cb 0.49 0.40 0.19 0.00 -0.26 0.00 0.00 64.21 65.03 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 -2.89 0.00 -0.08 0.00 -1.32 0.53 -4.95 115.64 106.94 1j7m s THR 30 Ca 0.66 -1.68 0.12 0.00 -1.21 0.00 0.00 61.69 59.58 1j7m s THR 30 Cb -0.19 -2.47 0.22 0.00 -1.51 0.00 0.00 72.50 68.55 1j7m s THR 30 CO 0.59 0.00 1.11 -1.54 -2.21 0.00 0.00 174.62 172.56 1j7m n SER 31 N -0.85 1.26 -4.74 8.08 3.41 -1.26 0.84 113.62 120.36 1j7m n SER 31 Ca 0.01 -2.67 -0.41 0.00 -0.26 0.00 0.00 58.87 55.53 1j7m n SER 31 Cb 0.63 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.54 3.53 0.00 7.33 0.00 -1.26 -2.78 121.76 127.03 1j7m s ALA 32 Ca 0.22 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1j7m s ALA 32 Cb 0.21 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1j7m s ALA 32 CO -0.02 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1j7m n GLY 33 N 2.02 0.61 3.71 0.00 0.00 -1.26 -5.02 105.19 105.25 1j7m n GLY 33 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1j7m n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j7m s ARG 34 N -0.17 2.69 0.00 1.61 0.52 -1.12 -5.01 118.95 117.47 1j7m s ARG 34 Ca 0.00 -0.75 0.15 0.00 -0.52 0.00 0.00 55.73 54.60 1j7m s ARG 34 Cb 0.00 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.79 1j7m s ARG 34 CO 0.00 0.56 0.73 0.45 0.02 0.00 0.00 175.30 177.07 1j7m n SER 35 N 0.68 1.23 0.00 0.23 2.88 -1.26 -4.84 113.62 112.54 1j7m n SER 35 Ca -0.11 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.32 1j7m n SER 35 Cb 0.52 0.66 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1j7m n ASP 36 N -0.57 0.00 0.00 -3.46 5.68 -1.26 -5.07 116.55 111.87 1j7m n ASP 36 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1j7m n ASP 36 Cb 0.28 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 2.99 0.00 3.58 6.12 0.00 -1.26 -5.10 105.19 111.52 1j7m n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 2.97 0.45 1.61 -0.14 -1.26 -4.94 119.74 118.42 1j7m s LYS 38 Ca 0.00 1.08 -0.24 0.00 -1.36 0.00 0.00 55.97 55.45 1j7m s LYS 38 Cb 0.00 -4.30 -0.08 0.00 -1.68 0.00 0.00 37.83 31.78 1j7m s LYS 38 CO 0.00 -2.31 1.28 -1.64 -0.76 0.00 0.00 175.35 171.93 1j7m s MET 39 N 6.38 3.75 0.00 1.68 -1.94 -1.26 -4.84 119.30 123.07 1j7m s MET 39 Ca 0.75 2.08 0.00 0.00 -1.71 0.00 0.00 55.69 56.82 1j7m s MET 39 Cb -0.18 -2.57 0.00 0.00 2.01 0.00 0.00 34.83 34.09 1j7m s MET 39 CO 0.28 -0.65 0.00 -2.67 -0.01 0.00 0.00 175.02 171.97 1j7m n TRP 40 N -0.26 0.00 -3.59 -0.03 4.27 0.25 0.48 117.44 118.56 1j7m n TRP 40 Ca 0.06 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.53 1j7m n TRP 40 Cb 0.45 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.33 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 -0.32 2.67 -1.39 0.00 0.00 -1.26 -1.99 121.76 119.46 1j7m s ALA 42 Ca -0.03 0.28 0.16 0.00 0.00 0.00 0.00 51.96 52.37 1j7m s ALA 42 Cb -0.03 -3.22 0.44 0.00 0.00 0.00 0.00 23.12 20.31 1j7m s ALA 42 CO 0.03 -1.06 1.37 0.25 0.00 0.00 0.00 175.76 176.34 1j7m n THR 43 N -2.56 0.97 -4.16 0.00 -2.24 -0.91 -1.03 114.28 104.34 1j7m n THR 43 Ca 0.08 -0.98 -0.17 0.00 -2.27 0.00 0.00 64.05 60.71 1j7m n THR 43 Cb 0.53 0.53 -0.12 0.00 -2.10 0.00 0.00 70.33 69.17 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 -1.01 1.00 0.33 4.28 -4.23 -1.26 -4.46 115.64 110.29 1j7m s THR 44 Ca 0.34 -1.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.53 1j7m s THR 44 Cb 0.18 -1.07 0.29 0.00 1.34 0.00 0.00 72.50 73.24 1j7m s THR 44 CO 0.23 -0.32 1.93 0.00 -0.54 0.00 0.00 174.62 175.93 1j7m h ALA 45 N 4.16 1.61 -3.40 3.99 0.00 -1.86 -3.38 119.26 120.38 1j7m h ALA 45 Ca -0.39 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 53.88 1j7m h ALA 45 Cb 1.19 -0.23 -0.37 0.00 0.00 0.00 0.00 17.79 18.39 1j7m h ALA 45 CO 0.43 0.26 -0.81 1.21 0.00 0.00 0.00 179.25 180.34 1j7m s ASN 46 N -6.10 3.37 0.10 0.00 3.84 -1.26 -2.22 114.94 112.66 1j7m s ASN 46 Ca -0.11 -0.87 0.05 0.00 0.21 0.00 0.00 52.86 52.15 1j7m s ASN 46 Cb 0.20 -1.25 -0.23 0.00 -0.55 0.00 0.00 41.25 39.42 1j7m s ASN 46 CO 0.79 -0.13 1.21 0.22 -2.79 0.00 0.00 177.10 176.39 1j7m h TYR 47 N 7.97 0.10 -0.87 0.43 5.03 -1.44 -3.25 116.97 124.95 1j7m h TYR 47 Ca -0.29 -0.08 0.17 0.00 2.58 0.00 0.00 58.73 61.11 1j7m h TYR 47 Cb 1.10 -0.00 -0.07 0.00 1.55 0.00 0.00 36.73 39.31 1j7m h TYR 47 CO 0.51 1.06 0.57 -0.44 -1.32 0.00 0.00 178.16 178.54 1j7m h ASP 48 N 0.02 0.50 0.00 -2.11 3.32 -1.93 0.35 116.42 116.56 1j7m h ASP 48 Ca -0.06 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1j7m h ASP 48 Cb 1.83 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.32 1j7m h ASP 48 CO 0.14 0.23 -0.06 0.44 -1.72 0.00 0.00 179.24 178.27 1j7m h ASP 49 N 0.52 0.00 0.82 6.45 3.32 -1.91 -3.41 116.42 122.21 1j7m h ASP 49 Ca 0.44 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.39 1j7m h ASP 49 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1j7m h ASP 49 CO -0.18 0.17 -0.50 0.44 -1.72 0.00 0.00 179.24 177.45 1j7m h ASP 50 N -0.29 0.00 -6.57 6.45 3.32 -1.59 -3.48 116.42 114.26 1j7m h ASP 50 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1j7m h ASP 50 Cb 0.06 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.52 1j7m h ASP 50 CO 0.00 0.50 -0.88 0.54 -1.72 0.00 0.00 179.24 177.68 1j7m n ARG 51 N -3.59 -3.16 -4.13 3.56 1.74 0.12 -4.96 116.66 106.24 1j7m n ARG 51 Ca -0.00 0.38 -0.34 0.00 -0.77 0.00 0.00 57.85 57.11 1j7m n ARG 51 Cb 0.59 -4.58 -0.14 0.00 -1.02 0.00 0.00 32.46 27.31 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 -6.67 3.40 0.35 5.56 1.02 -1.26 -5.08 119.74 117.05 1j7m s LYS 52 Ca 0.14 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.53 1j7m s LYS 52 Cb -0.07 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1j7m s LYS 52 CO 0.90 -0.07 0.12 1.67 -0.92 0.00 0.00 175.35 177.05 1j7m s TRP 53 N 1.14 1.76 -0.27 3.18 1.48 -1.26 -2.13 118.94 122.84 1j7m s TRP 53 Ca 0.02 -1.23 -0.26 0.00 -1.06 0.00 0.00 56.10 53.58 1j7m s TRP 53 Cb -0.14 -1.08 0.13 0.00 -1.16 0.00 0.00 33.47 31.21 1j7m s TRP 53 CO -0.01 -0.29 1.07 0.20 -4.06 0.00 0.00 176.95 173.86 1j7m s GLY 54 N -3.49 -0.11 0.68 3.67 0.00 -0.84 -1.49 107.32 105.73 1j7m s GLY 54 Ca 0.31 2.70 -0.17 0.00 0.00 0.00 0.00 44.72 47.56 1j7m s GLY 54 CO 0.16 1.76 0.92 0.69 0.00 0.00 0.00 173.10 176.63 1j7m n PHE 55 N 1.98 0.58 -2.16 1.90 3.72 0.64 0.42 117.46 124.55 1j7m n PHE 55 Ca -0.12 0.40 -0.42 0.00 -0.05 0.00 0.00 57.45 57.27 1j7m n PHE 55 Cb 0.56 -2.09 -0.03 0.00 -0.94 0.00 0.00 39.48 36.99 1j7m n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j7m n PRO 57 N 2.96 0.75 -3.59 0.00 -0.04 -1.26 -3.91 135.00 129.91 1j7m n PRO 57 Ca 0.08 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.27 1j7m n PRO 57 Cb 0.42 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 1j7m n PRO 57 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1j7m n ASP 58 N -0.74 2.32 -0.04 3.54 2.03 -1.26 -4.84 116.55 117.56 1j7m n ASP 58 Ca 0.09 -3.08 -0.04 0.00 0.52 0.00 0.00 54.79 52.28 1j7m n ASP 58 Cb 0.04 -0.68 -0.06 0.00 -0.72 0.00 0.00 41.12 39.69 1j7m n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j7m n GLN 59 N 1.71 2.54 0.00 -0.67 6.02 -1.25 -5.03 117.38 120.71 1j7m n GLN 59 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1j7m n GLN 59 Cb 0.41 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.47 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46