#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 -3.57 -4.08 7.33 -0.00 -1.26 -5.02 117.44 110.83 1j7m n TRP 2 Ca 0.00 2.11 -0.35 0.00 -0.00 0.00 0.00 57.50 59.25 1j7m n TRP 2 Cb 0.00 -3.38 -0.08 0.00 -0.00 0.00 0.00 31.31 27.84 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1j7m s MET 3 N -0.87 3.49 0.75 5.87 0.23 -1.26 -5.10 119.30 122.41 1j7m s MET 3 Ca -0.10 -0.30 -0.08 0.00 -1.03 0.00 0.00 55.69 54.18 1j7m s MET 3 Cb 0.01 -3.07 0.16 0.00 -1.53 0.00 0.00 34.83 30.40 1j7m s MET 3 CO 0.27 0.57 1.03 0.43 -2.03 0.00 0.00 175.02 175.29 1j7m n SER 4 N 2.59 0.56 -4.48 -1.18 7.64 -1.26 -4.37 113.62 113.12 1j7m n SER 4 Ca -0.18 -1.67 -0.24 0.00 1.01 0.00 0.00 58.87 57.79 1j7m n SER 4 Cb 0.54 -0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1j7m n SER 4 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1j7m n THR 5 N -3.19 0.00 -3.82 0.44 -2.24 -1.23 -4.70 114.28 99.54 1j7m n THR 5 Ca 0.14 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 1j7m n THR 5 Cb 0.51 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1j7m n THR 5 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1j7m n VAL 6 N -1.57 0.00 0.00 2.28 0.31 -1.18 -4.22 118.33 113.95 1j7m n VAL 6 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1j7m n VAL 6 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 3.05 1.90 7.00 2.92 0.00 -1.26 0.12 105.19 118.92 1j7m n GLY 7 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.06 0.00 -0.02 0.00 -1.26 -4.48 105.19 100.49 1j7m n GLY 8 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.89 0.06 -2.44 1.61 2.04 -0.76 -4.82 115.26 108.06 1j7m n ASN 9 Ca 0.00 -0.01 -0.31 0.00 -0.44 0.00 0.00 54.58 53.82 1j7m n ASN 9 Cb 0.00 0.03 0.03 0.00 -2.53 0.00 0.00 39.78 37.31 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 -0.04 7.16 -4.53 0.53 7.64 -1.10 -4.96 113.62 118.33 1j7m n SER 10 Ca 0.00 -3.54 -0.37 0.00 1.01 0.00 0.00 58.87 55.97 1j7m n SER 10 Cb 0.00 -1.07 -0.07 0.00 -1.01 0.00 0.00 64.21 62.06 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 -0.19 -0.05 0.00 0.23 0.00 -1.26 -0.49 105.19 103.43 1j7m n GLY 11 Ca 0.51 0.80 0.00 0.00 0.00 0.00 0.00 46.02 47.33 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 6.18 1.00 3.79 -0.02 0.00 -1.26 -4.95 105.19 109.92 1j7m n GLY 12 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.50 3.14 0.48 4.61 0.00 0.36 -4.47 121.76 125.38 1j7m s ALA 13 Ca 0.00 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.37 1j7m s ALA 13 Cb 0.00 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 1j7m s ALA 13 CO 0.00 0.03 0.92 -1.25 0.00 0.00 0.00 175.76 175.47 1j7m s PRO 14 N -2.40 3.91 0.09 0.00 0.04 -1.26 -3.48 135.00 131.89 1j7m s PRO 14 Ca 0.55 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 62.11 1j7m s PRO 14 Cb -0.18 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 1j7m s PRO 14 CO 0.23 -0.20 1.19 0.00 0.04 0.00 0.00 177.00 178.26 1j7m s VAL 16 N 0.75 4.53 -0.04 0.00 1.01 0.48 -4.96 120.40 122.17 1j7m s VAL 16 Ca 0.57 0.55 0.05 0.00 0.00 0.00 0.00 61.98 63.15 1j7m s VAL 16 Cb -0.30 -4.41 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 1j7m s VAL 16 CO 0.31 -0.83 -0.19 -0.36 0.00 0.00 0.00 175.10 174.02 1j7m s PHE 17 N 3.61 2.56 0.03 5.22 0.08 -1.26 -2.34 117.98 125.87 1j7m s PHE 17 Ca 0.33 -0.31 -0.23 0.00 0.12 0.00 0.00 56.93 56.84 1j7m s PHE 17 Cb -0.11 -1.59 -0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1j7m s PHE 17 CO 0.24 0.07 0.70 -1.25 -0.10 0.00 0.00 175.22 174.88 1j7m s PRO 18 N -0.61 4.43 0.00 0.24 0.05 -1.26 -5.08 135.00 132.77 1j7m s PRO 18 Ca 0.09 0.95 0.00 0.00 0.05 0.00 0.00 61.00 62.09 1j7m s PRO 18 Cb -0.11 -3.35 0.00 0.00 0.05 0.00 0.00 34.50 31.09 1j7m s PRO 18 CO 0.00 0.32 0.00 1.97 0.05 0.00 0.00 177.00 179.34 1j7m n PHE 19 N 2.76 -2.73 -3.69 0.56 -1.74 0.38 -4.78 117.46 108.22 1j7m n PHE 19 Ca -0.04 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.70 1j7m n PHE 19 Cb 0.50 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.36 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 0.83 -0.23 0.02 1.97 2.01 -0.27 0.22 115.64 120.19 1j7m s THR 20 Ca 0.00 0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.35 1j7m s THR 20 Cb 0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1j7m s THR 20 CO 0.00 0.12 -0.20 0.12 -0.69 0.00 0.00 174.62 173.97 1j7m s PHE 21 N 2.00 1.76 -0.09 4.92 5.36 0.09 -2.22 117.98 129.80 1j7m s PHE 21 Ca -0.01 -0.36 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1j7m s PHE 21 Cb -0.12 -1.08 0.00 0.00 -0.34 0.00 0.00 43.02 41.48 1j7m s PHE 21 CO -0.07 0.04 0.00 1.28 -1.46 0.00 0.00 175.22 175.01 1j7m n LEU 22 N 2.15 -0.09 0.00 6.12 7.99 -1.26 0.67 117.00 132.59 1j7m n LEU 22 Ca -0.16 0.38 0.00 0.00 -0.01 0.00 0.00 56.01 56.22 1j7m n LEU 22 Cb 0.53 -0.99 0.00 0.00 -0.11 0.00 0.00 43.42 42.85 1j7m n LEU 22 CO 0.23 -0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.70 1j7m n GLY 23 N -0.42 0.37 3.77 -0.72 0.00 -1.26 -5.08 105.19 101.85 1j7m n GLY 23 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.44 5.52 -0.27 1.61 0.01 0.21 -5.08 114.94 114.50 1j7m s ASN 24 Ca 0.00 0.00 -0.22 0.00 -0.71 0.00 0.00 52.86 51.94 1j7m s ASN 24 Cb 0.00 -1.49 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 1j7m s ASN 24 CO 0.00 0.19 0.69 -0.54 -1.51 0.00 0.00 177.10 175.93 1j7m s LYS 25 N -2.29 4.06 -0.35 -0.60 1.02 -1.26 -0.73 119.74 119.60 1j7m s LYS 25 Ca 0.28 0.58 -0.10 0.00 0.02 0.00 0.00 55.97 56.75 1j7m s LYS 25 Cb -0.12 -3.68 0.01 0.00 -0.52 0.00 0.00 37.83 33.53 1j7m s LYS 25 CO 0.21 -0.50 0.18 0.71 -0.92 0.00 0.00 175.35 175.02 1j7m s TYR 26 N 2.66 3.21 -0.37 3.18 1.51 0.13 -4.90 117.35 122.77 1j7m s TYR 26 Ca 0.28 -0.82 0.23 0.00 -1.01 0.00 0.00 57.07 55.76 1j7m s TYR 26 Cb -0.15 -2.40 0.03 0.00 -0.11 0.00 0.00 41.96 39.33 1j7m s TYR 26 CO 0.09 -0.57 1.02 0.39 -1.11 0.00 0.00 175.55 175.37 1j7m n GLU 27 N 4.98 0.48 -3.45 -0.62 1.02 -1.26 -0.47 120.64 121.32 1j7m n GLU 27 Ca -0.13 0.05 -0.15 0.00 -0.02 0.00 0.00 57.16 56.90 1j7m n GLU 27 Cb 0.47 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.35 1.27 -4.67 1.62 3.41 -1.26 -4.84 113.62 106.81 1j7m n SER 28 Ca 0.01 -2.30 -0.30 0.00 -0.26 0.00 0.00 58.87 56.02 1j7m n SER 28 Cb 0.50 0.58 0.16 0.00 -0.26 0.00 0.00 64.21 65.20 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 -2.77 0.04 -0.10 0.00 -1.32 0.46 -4.93 115.64 107.03 1j7m s THR 30 Ca 0.65 -1.82 0.15 0.00 -1.21 0.00 0.00 61.69 59.46 1j7m s THR 30 Cb -0.20 -2.22 0.22 0.00 -1.51 0.00 0.00 72.50 68.79 1j7m s THR 30 CO 0.59 -0.20 1.11 -1.54 -2.21 0.00 0.00 174.62 172.36 1j7m n SER 31 N -0.21 2.08 -4.77 8.08 3.41 -1.26 0.66 113.62 121.61 1j7m n SER 31 Ca -0.02 -2.83 -0.41 0.00 -0.26 0.00 0.00 58.87 55.35 1j7m n SER 31 Cb 0.64 -0.35 -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 -2.36 3.55 0.00 7.33 0.00 -1.26 -2.34 121.76 126.68 1j7m s ALA 32 Ca 0.25 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.59 1j7m s ALA 32 Cb 0.22 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1j7m s ALA 32 CO 0.02 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1j7m n GLY 33 N 0.92 1.47 3.56 0.00 0.00 -1.26 -4.98 105.19 104.90 1j7m n GLY 33 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.12 3.83 0.00 1.61 0.52 -0.99 -4.96 118.95 118.84 1j7m s ARG 34 Ca 0.00 -0.42 0.22 0.00 -0.52 0.00 0.00 55.73 55.01 1j7m s ARG 34 Cb 0.00 -3.18 0.52 0.00 0.52 0.00 0.00 34.95 32.82 1j7m s ARG 34 CO 0.00 0.15 1.44 0.43 0.02 0.00 0.00 175.30 177.35 1j7m n SER 35 N 3.88 2.97 0.00 0.23 7.64 -1.26 -4.64 113.62 122.43 1j7m n SER 35 Ca -0.17 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.78 1j7m n SER 35 Cb 0.52 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 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 1.16 0.00 0.00 6.43 5.75 -1.26 -5.09 116.55 123.54 1j7m n ASP 36 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 1j7m n ASP 36 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1j7m n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j7m n GLY 37 N 2.79 0.14 3.62 6.12 0.00 -1.26 -5.12 105.19 111.48 1j7m n GLY 37 Ca 0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1j7m n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j7m n LYS 38 N 0.00 2.14 -2.68 1.61 4.01 -1.26 -4.94 118.16 117.04 1j7m n LYS 38 Ca 0.00 0.72 -0.39 0.00 -0.51 0.00 0.00 58.31 58.13 1j7m n LYS 38 Cb 0.00 -2.88 -0.06 0.00 -0.51 0.00 0.00 35.03 31.59 1j7m n LYS 38 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1j7m s MET 39 N 5.11 4.64 0.00 1.97 -1.94 -1.26 -4.81 119.30 123.01 1j7m s MET 39 Ca 0.96 1.50 0.00 0.00 -1.71 0.00 0.00 55.69 56.45 1j7m s MET 39 Cb -0.55 -3.02 0.00 0.00 2.01 0.00 0.00 34.83 33.27 1j7m s MET 39 CO 0.45 0.30 0.00 -2.67 -0.01 0.00 0.00 175.02 173.09 1j7m n TRP 40 N 0.94 0.00 -3.71 -0.03 4.27 0.21 -0.65 117.44 118.47 1j7m n TRP 40 Ca 0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.48 1j7m n TRP 40 Cb 0.48 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.34 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 -0.04 2.98 -1.39 0.00 0.00 -1.26 -1.26 121.76 120.78 1j7m s ALA 42 Ca -0.02 0.60 0.18 0.00 0.00 0.00 0.00 51.96 52.72 1j7m s ALA 42 Cb -0.03 -3.24 0.59 0.00 0.00 0.00 0.00 23.12 20.44 1j7m s ALA 42 CO 0.02 -0.20 1.50 0.25 0.00 0.00 0.00 175.76 177.33 1j7m n THR 43 N -0.58 1.32 -4.06 0.00 -2.24 -0.26 -0.38 114.28 108.07 1j7m n THR 43 Ca 0.07 -1.11 -0.11 0.00 -2.27 0.00 0.00 64.05 60.64 1j7m n THR 43 Cb 0.52 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.35 0.41 0.06 4.28 -4.23 -1.25 -4.57 115.64 108.98 1j7m s THR 44 Ca 0.44 -1.30 -0.24 0.00 -1.18 0.00 0.00 61.69 59.41 1j7m s THR 44 Cb 0.25 -0.85 -0.16 0.00 1.34 0.00 0.00 72.50 73.08 1j7m s THR 44 CO 0.26 -0.59 1.61 0.00 -0.54 0.00 0.00 174.62 175.35 1j7m h ALA 45 N 4.06 -0.01 -2.60 3.99 0.00 -1.91 -3.37 119.26 119.42 1j7m h ALA 45 Ca -0.34 -0.07 -0.73 0.00 0.00 0.00 0.00 54.91 53.77 1j7m h ALA 45 Cb 1.19 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 1j7m h ALA 45 CO 0.49 -0.44 -0.40 1.21 0.00 0.00 0.00 179.25 180.11 1j7m s ASN 46 N -5.31 5.78 0.15 0.00 3.84 -1.26 -1.12 114.94 117.02 1j7m s ASN 46 Ca -0.14 -1.64 -0.01 0.00 0.21 0.00 0.00 52.86 51.28 1j7m s ASN 46 Cb 0.05 -2.04 -0.03 0.00 -0.55 0.00 0.00 41.25 38.67 1j7m s ASN 46 CO 0.66 -0.64 1.35 0.22 -2.79 0.00 0.00 177.10 175.91 1j7m h TYR 47 N 8.52 0.46 -0.99 0.43 3.20 -1.60 -3.16 116.97 123.81 1j7m h TYR 47 Ca -0.24 -0.24 0.19 0.00 3.14 0.00 0.00 58.73 61.58 1j7m h TYR 47 Cb 1.08 -0.05 -0.10 0.00 1.54 0.00 0.00 36.73 39.20 1j7m h TYR 47 CO 0.64 1.05 0.61 -0.44 -1.64 0.00 0.00 178.16 178.38 1j7m h ASP 48 N 0.18 0.71 0.00 -2.11 5.19 -1.92 0.23 116.42 118.70 1j7m h ASP 48 Ca -0.06 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1j7m h ASP 48 Cb 1.51 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.98 1j7m h ASP 48 CO 0.15 0.26 0.00 0.47 -3.12 0.00 0.00 179.24 176.99 1j7m n ASP 49 N -4.71 0.00 0.26 6.45 8.00 -1.24 -4.49 116.55 120.82 1j7m n ASP 49 Ca 0.23 0.32 0.11 0.00 0.71 0.00 0.00 54.79 56.15 1j7m n ASP 49 Cb 0.60 -0.44 0.70 0.00 -0.02 0.00 0.00 41.12 41.96 1j7m n ASP 49 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1j7m h ASP 50 N 0.00 0.00 -6.76 -2.24 3.32 -1.63 -3.47 116.42 105.65 1j7m h ASP 50 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1j7m h ASP 50 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1j7m h ASP 50 CO 0.00 0.11 -0.94 0.54 -1.72 0.00 0.00 179.24 177.23 1j7m n ARG 51 N -3.88 -1.82 -4.02 3.56 1.74 0.82 -4.96 116.66 108.11 1j7m n ARG 51 Ca -0.02 0.24 -0.34 0.00 -0.77 0.00 0.00 57.85 56.96 1j7m n ARG 51 Cb 0.21 -3.87 -0.15 0.00 -1.02 0.00 0.00 32.46 27.63 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 -6.94 3.08 0.35 5.56 1.02 -1.26 -5.06 119.74 116.49 1j7m s LYS 52 Ca 0.10 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.34 1j7m s LYS 52 Cb -0.05 -2.80 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 1j7m s LYS 52 CO 0.94 -0.25 0.16 1.67 -0.92 0.00 0.00 175.35 176.95 1j7m s TRP 53 N 1.36 1.71 -0.07 3.18 1.48 -1.26 -1.10 118.94 124.23 1j7m s TRP 53 Ca 0.04 -1.36 -0.31 0.00 -1.06 0.00 0.00 56.10 53.41 1j7m s TRP 53 Cb -0.14 -0.97 0.08 0.00 -1.16 0.00 0.00 33.47 31.28 1j7m s TRP 53 CO -0.08 -0.47 0.75 0.20 -4.06 0.00 0.00 176.95 173.29 1j7m s GLY 54 N -3.47 -0.51 0.89 3.67 0.00 -0.39 -1.82 107.32 105.69 1j7m s GLY 54 Ca 0.32 1.47 -0.11 0.00 0.00 0.00 0.00 44.72 46.40 1j7m s GLY 54 CO 0.18 0.97 1.11 -1.36 0.00 0.00 0.00 173.10 173.99 1j7m s PHE 55 N -1.19 2.04 0.55 1.90 0.08 0.33 0.96 117.98 122.65 1j7m s PHE 55 Ca -0.09 1.54 -0.20 0.00 0.12 0.00 0.00 56.93 58.30 1j7m s PHE 55 Cb -0.00 -3.18 -0.05 0.00 -0.57 0.00 0.00 43.02 39.21 1j7m s PHE 55 CO 0.08 -2.51 1.20 0.00 -0.10 0.00 0.00 175.22 173.88 1j7m n PRO 57 N -1.22 0.41 -1.44 0.00 -0.04 -1.26 -4.60 135.00 126.85 1j7m n PRO 57 Ca 0.11 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 63.07 1j7m n PRO 57 Cb 0.49 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.00 2.07 -4.54 3.54 -0.08 -1.26 -4.93 116.55 111.35 1j7m n ASP 58 Ca 0.00 0.38 -0.27 0.00 -1.51 0.00 0.00 54.79 53.39 1j7m n ASP 58 Cb 0.00 -1.26 -0.10 0.00 2.34 0.00 0.00 41.12 42.10 1j7m n ASP 58 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1j7m s GLN 59 N 6.34 1.90 0.00 -0.67 -0.21 -1.26 -5.24 119.66 120.52 1j7m s GLN 59 Ca 1.10 -2.11 0.00 0.00 0.02 0.00 0.00 55.36 54.37 1j7m s GLN 59 Cb -0.85 -1.29 0.00 0.00 1.00 0.00 0.00 33.01 31.87 1j7m s GLN 59 CO 0.48 -0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.88