#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7m n TRP 2 N 0.00 3.38 -2.73 1.43 2.14 -1.26 -5.00 117.44 115.39 1j7m n TRP 2 Ca 0.00 -3.09 -0.43 0.00 2.07 0.00 0.00 57.50 56.05 1j7m n TRP 2 Cb 0.00 -0.69 -0.03 0.00 -0.81 0.00 0.00 31.31 29.78 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1j7m s MET 3 N -3.82 3.40 0.59 -2.67 0.23 -1.26 -5.01 119.30 110.76 1j7m s MET 3 Ca 0.47 -0.07 -0.15 0.00 -1.03 0.00 0.00 55.69 54.90 1j7m s MET 3 Cb 0.32 -4.04 -0.04 0.00 -1.53 0.00 0.00 34.83 29.54 1j7m s MET 3 CO -0.21 -1.58 1.04 -1.12 -2.03 0.00 0.00 175.02 171.13 1j7m s SER 4 N 2.92 5.91 0.61 -1.18 0.01 -1.26 -4.00 113.70 116.71 1j7m s SER 4 Ca 0.35 1.74 -0.05 0.00 1.31 0.00 0.00 55.95 59.30 1j7m s SER 4 Cb -0.11 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.63 1j7m s SER 4 CO 0.21 -1.08 0.90 0.42 0.41 0.00 0.00 173.24 174.10 1j7m s THR 5 N -2.57 3.14 0.00 1.44 -4.23 -1.04 -4.61 115.64 107.77 1j7m s THR 5 Ca 0.62 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1j7m s THR 5 Cb -0.14 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.44 1j7m s THR 5 CO 0.38 -0.25 0.00 0.52 -0.54 0.00 0.00 174.62 174.73 1j7m n VAL 6 N -2.61 0.00 0.00 2.29 0.31 -0.99 -4.76 118.33 112.57 1j7m n VAL 6 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1j7m n VAL 6 Cb 0.59 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 2.20 6.82 2.92 0.00 -1.26 0.11 105.19 120.98 1j7m n GLY 7 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.84 0.11 -0.02 0.00 -1.26 -4.62 105.19 100.24 1j7m n GLY 8 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.81 0.00 -0.24 1.61 2.04 -0.88 -4.90 115.26 109.09 1j7m n ASN 9 Ca 0.00 -1.06 0.15 0.00 -0.44 0.00 0.00 54.58 53.23 1j7m n ASN 9 Cb 0.00 -0.01 0.73 0.00 -2.53 0.00 0.00 39.78 37.97 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 0.75 0.00 0.53 7.64 -1.22 -4.99 113.62 116.33 1j7m n SER 10 Ca 0.00 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1j7m n SER 10 Cb 0.51 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.08 1.62 2.83 0.23 0.00 -1.26 -3.87 105.19 105.82 1j7m n GLY 11 Ca 0.21 -0.35 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 1.78 3.87 -0.02 0.00 -1.26 -4.76 105.19 104.79 1j7m n GLY 12 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.66 3.60 1.02 4.61 0.00 -1.25 -4.47 121.76 121.60 1j7m s ALA 13 Ca 0.26 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 1j7m s ALA 13 Cb 0.33 -2.42 0.20 0.00 0.00 0.00 0.00 23.12 21.22 1j7m s ALA 13 CO -0.04 0.51 1.13 -2.14 0.00 0.00 0.00 175.76 175.22 1j7m s PRO 14 N -2.48 0.27 0.33 0.00 0.02 -1.26 -2.49 135.00 129.40 1j7m s PRO 14 Ca 0.43 0.24 -0.15 0.00 0.02 0.00 0.00 61.00 61.53 1j7m s PRO 14 Cb -0.13 -1.74 -0.09 0.00 0.02 0.00 0.00 34.50 32.56 1j7m s PRO 14 CO 0.20 -2.78 0.75 0.00 -0.33 0.00 0.00 177.00 174.85 1j7m s VAL 16 N -2.01 3.92 -0.08 0.00 1.01 0.64 -4.94 120.40 118.95 1j7m s VAL 16 Ca 0.55 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1j7m s VAL 16 Cb -0.10 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1j7m s VAL 16 CO 0.17 -0.15 -0.11 -0.36 0.00 0.00 0.00 175.10 174.66 1j7m s PHE 17 N 1.44 2.83 -0.02 5.22 0.08 -1.26 -2.05 117.98 124.21 1j7m s PHE 17 Ca -0.01 -0.16 -0.24 0.00 0.12 0.00 0.00 56.93 56.64 1j7m s PHE 17 Cb -0.19 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1j7m s PHE 17 CO 0.03 0.17 0.72 -1.25 -0.10 0.00 0.00 175.22 174.79 1j7m s PRO 18 N -0.54 4.44 -0.24 0.24 0.05 -1.26 -5.04 135.00 132.66 1j7m s PRO 18 Ca 0.08 0.94 -0.12 0.00 0.05 0.00 0.00 61.00 61.94 1j7m s PRO 18 Cb -0.12 -3.41 -0.05 0.00 0.05 0.00 0.00 34.50 30.98 1j7m s PRO 18 CO 0.02 0.17 0.22 -0.59 0.05 0.00 0.00 177.00 176.88 1j7m s PHE 19 N 0.39 3.32 -0.22 0.56 -0.71 0.97 -4.64 117.98 117.65 1j7m s PHE 19 Ca 0.37 0.31 -0.22 0.00 -1.04 0.00 0.00 56.93 56.35 1j7m s PHE 19 Cb -0.19 -2.35 -0.02 0.00 -1.21 0.00 0.00 43.02 39.26 1j7m s PHE 19 CO 0.20 0.01 0.71 0.99 -1.34 0.00 0.00 175.22 175.79 1j7m s THR 20 N 1.23 4.95 0.03 -4.49 2.01 -0.24 0.87 115.64 119.99 1j7m s THR 20 Ca 0.10 1.33 0.07 0.00 0.31 0.00 0.00 61.69 63.50 1j7m s THR 20 Cb -0.14 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 1j7m s THR 20 CO 0.06 0.03 -0.19 0.12 -0.69 0.00 0.00 174.62 173.95 1j7m s PHE 21 N 2.33 1.69 -0.53 4.92 5.36 0.94 -2.31 117.98 130.38 1j7m s PHE 21 Ca 0.31 -0.36 -0.07 0.00 -0.96 0.00 0.00 56.93 55.85 1j7m s PHE 21 Cb -0.16 -1.03 0.07 0.00 -0.34 0.00 0.00 43.02 41.57 1j7m s PHE 21 CO 0.09 0.05 0.17 1.28 -1.46 0.00 0.00 175.22 175.36 1j7m n LEU 22 N 2.04 -0.23 0.00 6.12 7.99 -1.26 0.76 117.00 132.42 1j7m n LEU 22 Ca -0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 1j7m n LEU 22 Cb 0.54 -1.15 0.00 0.00 -0.11 0.00 0.00 43.42 42.70 1j7m n LEU 22 CO 0.23 0.03 0.00 0.61 -1.51 0.00 0.00 177.39 176.75 1j7m n GLY 23 N -0.65 0.85 3.52 -0.72 0.00 -1.26 -5.06 105.19 101.87 1j7m n GLY 23 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 4.67 -0.35 1.61 0.01 0.23 -5.07 114.94 114.04 1j7m s ASN 24 Ca 0.00 -0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 51.75 1j7m s ASN 24 Cb 0.00 -1.56 0.02 0.00 0.41 0.00 0.00 41.25 40.12 1j7m s ASN 24 CO 0.00 0.24 1.10 -0.54 -1.51 0.00 0.00 177.10 176.38 1j7m s LYS 25 N -0.07 4.00 -0.39 -0.60 1.02 -1.26 -0.04 119.74 122.41 1j7m s LYS 25 Ca 0.01 1.00 -0.16 0.00 0.02 0.00 0.00 55.97 56.83 1j7m s LYS 25 Cb -0.13 -3.77 0.01 0.00 -0.52 0.00 0.00 37.83 33.42 1j7m s LYS 25 CO 0.03 -0.99 0.41 0.71 -0.92 0.00 0.00 175.35 174.58 1j7m s TYR 26 N 3.82 3.19 -0.70 3.18 2.02 0.25 -4.84 117.35 124.27 1j7m s TYR 26 Ca 0.46 -0.25 0.25 0.00 -0.37 0.00 0.00 57.07 57.16 1j7m s TYR 26 Cb -0.11 -2.80 0.48 0.00 -0.40 0.00 0.00 41.96 39.13 1j7m s TYR 26 CO 0.18 -0.60 1.44 0.39 -1.57 0.00 0.00 175.55 175.40 1j7m n GLU 27 N 5.51 0.26 -2.90 -0.62 1.02 -1.26 -0.02 120.64 122.62 1j7m n GLU 27 Ca -0.08 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.07 1j7m n GLU 27 Cb 0.48 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.08 1.14 -4.72 1.62 3.41 -1.26 -4.85 113.62 106.89 1j7m n SER 28 Ca 0.04 -1.81 -0.29 0.00 -0.26 0.00 0.00 58.87 56.55 1j7m n SER 28 Cb 0.43 0.37 0.15 0.00 -0.26 0.00 0.00 64.21 64.90 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 -3.02 0.00 -0.06 0.00 -1.32 0.13 -4.95 115.64 106.42 1j7m s THR 30 Ca 0.64 -1.72 0.08 0.00 -1.21 0.00 0.00 61.69 59.48 1j7m s THR 30 Cb -0.17 -2.51 0.13 0.00 -1.51 0.00 0.00 72.50 68.44 1j7m s THR 30 CO 0.56 0.00 1.03 -1.54 -2.21 0.00 0.00 174.62 172.47 1j7m n SER 31 N -1.01 1.20 -4.76 8.08 3.41 -1.26 0.58 113.62 119.85 1j7m n SER 31 Ca 0.02 -2.42 -0.39 0.00 -0.26 0.00 0.00 58.87 55.82 1j7m n SER 31 Cb 0.63 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.36 3.07 0.00 7.33 0.00 -1.26 -2.49 121.76 127.05 1j7m s ALA 32 Ca 0.14 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1j7m s ALA 32 Cb 0.13 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1j7m s ALA 32 CO 0.01 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1j7m n GLY 33 N 0.63 0.79 3.57 0.00 0.00 -1.26 -4.97 105.19 103.95 1j7m n GLY 33 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.33 3.85 0.00 1.61 0.52 -1.04 -4.96 118.95 118.61 1j7m s ARG 34 Ca 0.00 -0.40 0.25 0.00 -0.52 0.00 0.00 55.73 55.05 1j7m s ARG 34 Cb 0.00 -3.20 0.58 0.00 0.52 0.00 0.00 34.95 32.85 1j7m s ARG 34 CO 0.00 0.16 1.47 0.43 0.02 0.00 0.00 175.30 177.38 1j7m n SER 35 N 3.86 2.43 0.00 0.23 7.64 -1.26 -4.64 113.62 121.88 1j7m n SER 35 Ca -0.17 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1j7m n SER 35 Cb 0.52 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.87 0.00 0.00 6.43 5.68 -1.26 -5.07 116.55 123.19 1j7m n ASP 36 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1j7m n ASP 36 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 2.76 0.05 3.72 6.12 0.00 -1.26 -5.13 105.19 111.45 1j7m n GLY 37 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.14 0.24 1.61 3.01 -1.26 -4.96 119.74 122.53 1j7m s LYS 38 Ca 0.00 2.55 -0.12 0.00 -1.01 0.00 0.00 55.97 57.39 1j7m s LYS 38 Cb 0.00 -3.09 -0.08 0.00 -1.01 0.00 0.00 37.83 33.65 1j7m s LYS 38 CO 0.00 -0.72 0.60 -1.64 0.51 0.00 0.00 175.35 174.10 1j7m s MET 39 N 1.17 3.89 0.00 1.68 -1.94 -1.26 -4.75 119.30 118.09 1j7m s MET 39 Ca 0.74 0.43 0.00 0.00 -1.71 0.00 0.00 55.69 55.14 1j7m s MET 39 Cb -0.48 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 33.72 1j7m s MET 39 CO 0.32 0.30 0.00 -2.67 -0.01 0.00 0.00 175.02 172.96 1j7m n TRP 40 N -0.05 0.00 -3.67 -0.03 4.27 0.19 -1.10 117.44 117.06 1j7m n TRP 40 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.50 1j7m n TRP 40 Cb 0.52 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.39 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 0.72 2.84 -1.65 0.00 0.00 -1.26 -1.52 121.76 120.88 1j7m s ALA 42 Ca -0.03 0.55 0.20 0.00 0.00 0.00 0.00 51.96 52.68 1j7m s ALA 42 Cb -0.05 -3.25 0.63 0.00 0.00 0.00 0.00 23.12 20.46 1j7m s ALA 42 CO -0.05 -0.45 1.53 0.25 0.00 0.00 0.00 175.76 177.04 1j7m n THR 43 N -1.27 1.21 -4.08 0.00 -2.24 -0.32 -0.26 114.28 107.33 1j7m n THR 43 Ca 0.09 -1.06 -0.13 0.00 -2.27 0.00 0.00 64.05 60.69 1j7m n THR 43 Cb 0.53 0.41 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 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 -1.22 0.58 0.13 4.28 -4.23 -1.26 -4.55 115.64 109.38 1j7m s THR 44 Ca 0.47 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.59 1j7m s THR 44 Cb 0.26 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.30 1j7m s THR 44 CO 0.29 -0.45 1.75 0.00 -0.54 0.00 0.00 174.62 175.67 1j7m h ALA 45 N 4.27 0.27 -3.12 3.99 0.00 -1.88 -3.36 119.26 119.43 1j7m h ALA 45 Ca -0.36 0.03 -0.70 0.00 0.00 0.00 0.00 54.91 53.88 1j7m h ALA 45 Cb 1.20 0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.68 1j7m h ALA 45 CO 0.44 -0.33 -0.56 1.21 0.00 0.00 0.00 179.25 180.00 1j7m s ASN 46 N -5.31 5.29 0.18 0.00 3.84 -1.26 -1.08 114.94 116.59 1j7m s ASN 46 Ca -0.13 -1.66 0.04 0.00 0.21 0.00 0.00 52.86 51.31 1j7m s ASN 46 Cb 0.10 -1.85 0.05 0.00 -0.55 0.00 0.00 41.25 39.00 1j7m s ASN 46 CO 0.69 -0.47 1.42 0.22 -2.79 0.00 0.00 177.10 176.17 1j7m h TYR 47 N 8.15 0.24 -0.83 0.43 3.20 -1.62 -2.94 116.97 123.60 1j7m h TYR 47 Ca -0.18 -0.13 0.13 0.00 3.14 0.00 0.00 58.73 61.69 1j7m h TYR 47 Cb 1.06 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.24 1j7m h TYR 47 CO 0.59 0.92 0.54 -0.44 -1.64 0.00 0.00 178.16 178.13 1j7m h ASP 48 N 0.10 0.61 0.00 -2.11 5.19 -1.93 0.35 116.42 118.62 1j7m h ASP 48 Ca -0.03 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1j7m h ASP 48 Cb 1.43 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.85 1j7m h ASP 48 CO 0.12 0.33 -0.36 0.44 -3.12 0.00 0.00 179.24 176.65 1j7m h ASP 49 N 0.65 0.00 -0.10 6.45 3.32 -1.92 -3.40 116.42 121.42 1j7m h ASP 49 Ca 0.41 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.37 1j7m h ASP 49 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1j7m h ASP 49 CO -0.17 0.60 -0.21 0.44 -1.72 0.00 0.00 179.24 178.17 1j7m h ASP 50 N -0.83 0.51 -6.51 6.45 5.19 -1.56 -3.47 116.42 116.20 1j7m h ASP 50 Ca 0.00 -0.16 -0.50 0.00 -0.62 0.00 0.00 57.03 55.74 1j7m h ASP 50 Cb 0.36 -0.14 -0.07 0.00 0.18 0.00 0.00 39.33 39.66 1j7m h ASP 50 CO 0.00 0.73 -0.87 0.54 -3.12 0.00 0.00 179.24 176.52 1j7m n ARG 51 N -4.14 -3.47 -3.98 3.56 1.74 0.12 -4.97 116.66 105.52 1j7m n ARG 51 Ca -0.00 0.42 -0.34 0.00 -0.77 0.00 0.00 57.85 57.16 1j7m n ARG 51 Cb 0.39 -4.70 -0.15 0.00 -1.02 0.00 0.00 32.46 26.98 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 -6.59 3.04 0.36 5.56 1.02 -1.26 -5.04 119.74 116.83 1j7m s LYS 52 Ca 0.16 -0.83 0.04 0.00 0.02 0.00 0.00 55.97 55.35 1j7m s LYS 52 Cb -0.08 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 1j7m s LYS 52 CO 0.89 -0.29 0.13 1.67 -0.92 0.00 0.00 175.35 176.82 1j7m s TRP 53 N 1.37 1.76 -0.23 3.18 1.48 -1.26 -1.17 118.94 124.06 1j7m s TRP 53 Ca 0.03 -1.26 -0.26 0.00 -1.06 0.00 0.00 56.10 53.55 1j7m s TRP 53 Cb -0.15 -1.08 0.10 0.00 -1.16 0.00 0.00 33.47 31.18 1j7m s TRP 53 CO -0.06 -0.32 0.88 0.20 -4.06 0.00 0.00 176.95 173.58 1j7m s GLY 54 N -3.51 -0.35 0.88 3.67 0.00 -0.58 -2.06 107.32 105.37 1j7m s GLY 54 Ca 0.30 2.19 -0.11 0.00 0.00 0.00 0.00 44.72 47.10 1j7m s GLY 54 CO 0.16 1.58 1.16 0.69 0.00 0.00 0.00 173.10 176.69 1j7m n PHE 55 N 2.01 0.97 -1.89 1.90 3.72 0.30 0.87 117.46 125.34 1j7m n PHE 55 Ca -0.14 0.40 -0.42 0.00 -0.05 0.00 0.00 57.45 57.24 1j7m n PHE 55 Cb 0.56 -2.04 -0.03 0.00 -0.94 0.00 0.00 39.48 37.04 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 6.04 1.12 -3.70 0.00 -0.04 -1.26 -4.47 135.00 132.69 1j7m n PRO 57 Ca 0.17 -0.18 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 1j7m n PRO 57 Cb 0.41 -1.24 -0.14 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.43 3.77 0.00 3.54 -1.08 -1.26 -4.98 116.67 115.22 1j7m s ASP 58 Ca 0.22 -2.11 0.00 0.00 -0.52 0.00 0.00 52.55 50.14 1j7m s ASP 58 Cb 0.10 -0.89 0.00 0.00 -1.46 0.00 0.00 42.92 40.67 1j7m s ASP 58 CO 0.17 -0.34 0.00 0.00 0.52 0.00 0.00 175.17 175.52 1j7m n GLN 59 N 4.21 0.00 0.00 4.34 6.02 -1.26 -5.11 117.38 125.58 1j7m n GLN 59 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 1j7m n GLN 59 Cb 0.38 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.64 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46