#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 3.48 0.04 1.43 0.51 -1.26 -5.02 118.94 118.11 1j7m s TRP 2 Ca 0.00 1.44 -0.26 0.00 -2.12 0.00 0.00 56.10 55.16 1j7m s TRP 2 Cb 0.00 -3.10 -0.05 0.00 -0.81 0.00 0.00 33.47 29.51 1j7m s TRP 2 CO 0.00 -0.21 0.80 -1.64 -0.51 0.00 0.00 176.95 175.39 1j7m s MET 3 N 2.01 4.52 0.75 4.98 -1.94 -1.26 -4.94 119.30 123.42 1j7m s MET 3 Ca 0.44 1.13 -0.11 0.00 -1.71 0.00 0.00 55.69 55.43 1j7m s MET 3 Cb -0.17 -3.38 0.04 0.00 2.01 0.00 0.00 34.83 33.33 1j7m s MET 3 CO 0.16 0.23 1.08 -1.12 -0.01 0.00 0.00 175.02 175.35 1j7m s SER 4 N 0.11 4.83 0.34 3.03 0.01 -1.26 -3.79 113.70 116.96 1j7m s SER 4 Ca 0.41 1.68 0.03 0.00 1.31 0.00 0.00 55.95 59.38 1j7m s SER 4 Cb -0.21 -2.46 -0.02 0.00 0.21 0.00 0.00 66.02 63.55 1j7m s SER 4 CO 0.24 -1.80 0.50 0.42 0.41 0.00 0.00 173.24 173.01 1j7m s THR 5 N -2.99 4.58 0.00 1.44 -4.23 -0.59 -4.52 115.64 109.34 1j7m s THR 5 Ca 0.60 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 1j7m s THR 5 Cb -0.16 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1j7m s THR 5 CO 0.56 -0.33 0.00 0.52 -0.54 0.00 0.00 174.62 174.83 1j7m n VAL 6 N -1.71 0.00 0.00 2.29 0.31 -1.06 -4.31 118.33 113.85 1j7m n VAL 6 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1j7m n VAL 6 Cb 0.57 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 1.59 3.28 2.92 0.00 -1.26 0.11 105.19 116.83 1j7m n GLY 7 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.86 0.00 -0.02 0.00 -1.26 -4.61 105.19 100.16 1j7m n GLY 8 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.27 0.00 0.12 1.61 0.23 -0.13 -4.91 115.26 111.91 1j7m n ASN 9 Ca 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.99 1j7m n ASN 9 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1j7m n ASN 9 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1j7m h SER 10 N 0.00 -0.41 0.00 0.53 0.02 -1.74 -3.45 113.55 108.50 1j7m h SER 10 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1j7m h SER 10 Cb 0.00 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1j7m h SER 10 CO 0.00 -0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.07 1j7m n GLY 11 N -1.19 1.37 0.08 -3.77 0.00 -1.26 -4.11 105.19 96.32 1j7m n GLY 11 Ca -0.04 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.19 3.86 -0.02 0.00 -1.26 -1.53 105.19 105.04 1j7m n GLY 12 Ca 0.00 0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.20 3.78 0.61 4.61 0.00 -1.26 -4.85 121.76 121.46 1j7m s ALA 13 Ca 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 1j7m s ALA 13 Cb 0.10 -2.20 0.02 0.00 0.00 0.00 0.00 23.12 21.03 1j7m s ALA 13 CO 0.35 0.55 0.93 -1.25 0.00 0.00 0.00 175.76 176.35 1j7m s PRO 14 N -1.19 2.81 0.04 0.00 0.04 -1.26 -2.82 135.00 132.62 1j7m s PRO 14 Ca 0.22 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 1j7m s PRO 14 Cb -0.14 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 1j7m s PRO 14 CO 0.11 -0.80 1.32 0.00 0.04 0.00 0.00 177.00 177.67 1j7m s VAL 16 N 1.69 4.82 -0.05 0.00 1.01 0.17 -4.97 120.40 123.08 1j7m s VAL 16 Ca 0.62 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 1j7m s VAL 16 Cb -0.31 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1j7m s VAL 16 CO 0.28 -0.73 0.09 -0.36 0.00 0.00 0.00 175.10 174.37 1j7m s PHE 17 N 1.52 3.36 0.07 5.22 0.08 -1.26 -2.66 117.98 124.31 1j7m s PHE 17 Ca 0.04 0.29 -0.25 0.00 0.12 0.00 0.00 56.93 57.13 1j7m s PHE 17 Cb -0.27 -1.80 -0.06 0.00 -0.57 0.00 0.00 43.02 40.32 1j7m s PHE 17 CO 0.03 0.59 0.76 -1.25 -0.10 0.00 0.00 175.22 175.24 1j7m s PRO 18 N -1.44 4.50 0.12 0.24 0.04 -1.26 -5.09 135.00 132.10 1j7m s PRO 18 Ca 0.20 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.32 1j7m s PRO 18 Cb -0.12 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1j7m s PRO 18 CO 0.10 0.36 0.14 1.97 0.04 0.00 0.00 177.00 179.62 1j7m n PHE 19 N 2.48 -2.43 -3.72 0.56 -1.74 0.03 -4.83 117.46 107.82 1j7m n PHE 19 Ca -0.04 -0.44 -0.13 0.00 -0.56 0.00 0.00 57.45 56.28 1j7m n PHE 19 Cb 0.50 -0.11 -0.14 0.00 1.52 0.00 0.00 39.48 41.26 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 0.04 -0.13 0.01 1.97 2.01 -1.07 0.54 115.64 119.02 1j7m s THR 20 Ca 0.11 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1j7m s THR 20 Cb -0.01 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1j7m s THR 20 CO 0.07 0.08 -0.08 0.12 -0.69 0.00 0.00 174.62 174.12 1j7m s PHE 21 N 1.53 0.71 -1.07 4.92 5.36 0.10 -1.79 117.98 127.74 1j7m s PHE 21 Ca -0.06 -0.23 -0.12 0.00 -0.96 0.00 0.00 56.93 55.55 1j7m s PHE 21 Cb -0.11 -0.44 0.12 0.00 -0.34 0.00 0.00 43.02 42.25 1j7m s PHE 21 CO -0.08 -0.02 0.35 1.28 -1.46 0.00 0.00 175.22 175.29 1j7m n LEU 22 N 2.45 -0.65 0.00 6.12 7.99 -1.26 0.38 117.00 132.03 1j7m n LEU 22 Ca -0.16 -0.43 0.00 0.00 -0.01 0.00 0.00 56.01 55.41 1j7m n LEU 22 Cb 0.57 -1.47 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 1j7m n LEU 22 CO 0.24 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 1j7m n GLY 23 N -0.87 1.41 3.64 -0.72 0.00 -1.26 -5.05 105.19 102.34 1j7m n GLY 23 Ca 0.05 0.00 -0.35 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 -2.97 5.08 -0.15 1.61 0.01 0.16 -5.08 114.94 113.61 1j7m s ASN 24 Ca 0.00 0.07 -0.29 0.00 -0.71 0.00 0.00 52.86 51.93 1j7m s ASN 24 Cb 0.00 -1.48 -0.01 0.00 0.41 0.00 0.00 41.25 40.17 1j7m s ASN 24 CO 0.00 0.34 1.04 -0.54 -1.51 0.00 0.00 177.10 176.43 1j7m s LYS 25 N -0.64 4.35 -0.31 -0.60 1.02 -1.26 -0.73 119.74 121.58 1j7m s LYS 25 Ca 0.10 1.41 -0.09 0.00 0.02 0.00 0.00 55.97 57.42 1j7m s LYS 25 Cb -0.12 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1j7m s LYS 25 CO 0.02 -0.45 0.13 0.71 -0.92 0.00 0.00 175.35 174.84 1j7m s TYR 26 N 2.50 3.18 -0.15 3.18 2.02 0.19 -4.91 117.35 123.35 1j7m s TYR 26 Ca 0.48 -0.80 0.17 0.00 -0.37 0.00 0.00 57.07 56.55 1j7m s TYR 26 Cb -0.18 -2.32 -0.05 0.00 -0.40 0.00 0.00 41.96 39.01 1j7m s TYR 26 CO 0.14 -0.53 1.06 0.93 -1.57 0.00 0.00 175.55 175.57 1j7m h GLU 27 N 8.31 0.00 0.00 -0.62 4.39 -1.93 0.12 114.58 124.85 1j7m h GLU 27 Ca -0.31 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.18 1j7m h GLU 27 Cb 1.13 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1j7m h GLU 27 CO 0.62 0.31 -0.16 -1.13 -1.16 0.00 0.00 179.01 177.49 1j7m n SER 28 N -2.97 2.10 -4.75 1.42 3.41 -1.26 -4.85 113.62 106.72 1j7m n SER 28 Ca -0.05 -1.75 -0.29 0.00 -0.26 0.00 0.00 58.87 56.52 1j7m n SER 28 Cb 0.77 0.18 0.13 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 -3.07 0.08 -0.11 0.00 -1.32 -0.01 -4.93 115.64 106.28 1j7m s THR 30 Ca 0.63 -1.82 0.16 0.00 -1.21 0.00 0.00 61.69 59.45 1j7m s THR 30 Cb -0.16 -2.07 0.24 0.00 -1.51 0.00 0.00 72.50 69.00 1j7m s THR 30 CO 0.56 -0.37 1.12 -1.54 -2.21 0.00 0.00 174.62 172.18 1j7m n SER 31 N -0.14 2.21 -4.77 8.08 3.41 -1.26 0.85 113.62 122.00 1j7m n SER 31 Ca -0.05 -2.91 -0.41 0.00 -0.26 0.00 0.00 58.87 55.24 1j7m n SER 31 Cb 0.64 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1j7m n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m n ALA 32 N -1.27 2.46 -0.81 7.33 0.00 -1.26 -1.79 120.51 125.16 1j7m n ALA 32 Ca 0.13 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1j7m n ALA 32 Cb 0.60 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1j7m n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j7m n GLY 33 N 0.77 1.16 3.49 0.00 0.00 -1.26 -4.99 105.19 104.36 1j7m n GLY 33 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.08 1.87 0.00 1.61 0.52 -0.74 -5.02 118.95 117.11 1j7m s ARG 34 Ca 0.00 -1.13 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 1j7m s ARG 34 Cb 0.00 -2.15 0.02 0.00 0.52 0.00 0.00 34.95 33.34 1j7m s ARG 34 CO 0.00 0.49 0.69 -1.13 0.02 0.00 0.00 175.30 175.38 1j7m n SER 35 N 0.92 1.43 0.00 0.23 3.41 -1.26 -4.85 113.62 113.49 1j7m n SER 35 Ca -0.15 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1j7m n SER 35 Cb 0.53 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1j7m n ASP 36 N -0.04 0.00 0.00 4.04 5.75 -1.26 -5.06 116.55 119.98 1j7m n ASP 36 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1j7m n ASP 36 Cb 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 2.65 0.00 3.56 6.12 0.00 -1.26 -5.10 105.19 111.16 1j7m n GLY 37 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 2.55 0.34 1.61 1.02 -1.26 -4.95 119.74 119.05 1j7m s LYS 38 Ca 0.00 1.23 -0.27 0.00 0.02 0.00 0.00 55.97 56.95 1j7m s LYS 38 Cb 0.00 -4.45 -0.09 0.00 -0.52 0.00 0.00 37.83 32.77 1j7m s LYS 38 CO 0.00 -2.78 1.07 -1.64 -0.92 0.00 0.00 175.35 171.08 1j7m s MET 39 N 7.30 4.41 0.00 1.68 -1.94 -1.26 -4.78 119.30 124.70 1j7m s MET 39 Ca 0.86 1.64 0.00 0.00 -1.71 0.00 0.00 55.69 56.48 1j7m s MET 39 Cb -0.18 -2.86 0.00 0.00 2.01 0.00 0.00 34.83 33.79 1j7m s MET 39 CO 0.26 0.04 0.00 -2.67 -0.01 0.00 0.00 175.02 172.65 1j7m n TRP 40 N 0.56 0.00 -3.58 -0.03 4.27 0.25 -0.11 117.44 118.80 1j7m n TRP 40 Ca 0.02 0.00 -0.17 0.00 -3.89 0.00 0.00 57.50 53.46 1j7m n TRP 40 Cb 0.47 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.36 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 -1.15 3.14 -0.38 0.00 0.00 -1.26 -1.96 121.76 120.16 1j7m s ALA 42 Ca -0.11 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1j7m s ALA 42 Cb -0.01 -3.01 0.13 0.00 0.00 0.00 0.00 23.12 20.22 1j7m s ALA 42 CO 0.08 0.06 1.11 0.25 0.00 0.00 0.00 175.76 177.26 1j7m n THR 43 N -0.91 1.01 -0.37 0.00 -2.24 -1.11 -0.65 114.28 110.00 1j7m n THR 43 Ca 0.06 -1.01 0.02 0.00 -2.27 0.00 0.00 64.05 60.85 1j7m n THR 43 Cb 0.54 0.49 0.02 0.00 -2.10 0.00 0.00 70.33 69.29 1j7m n THR 43 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j7m n THR 44 N -0.09 1.01 0.00 4.28 -2.24 -1.26 -4.71 114.28 111.26 1j7m n THR 44 Ca 0.05 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1j7m n THR 44 Cb 0.33 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1j7m n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1j7m n ALA 45 N -0.59 0.00 -3.85 6.98 0.00 -1.26 -4.74 120.51 117.04 1j7m n ALA 45 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 1j7m n ALA 45 Cb 0.36 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.65 1j7m n ALA 45 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j7m s ASN 46 N 0.00 3.39 0.03 0.00 3.84 -1.26 -2.59 114.94 118.35 1j7m s ASN 46 Ca 0.00 -0.99 0.13 0.00 0.21 0.00 0.00 52.86 52.21 1j7m s ASN 46 Cb 0.00 -0.92 -0.19 0.00 -0.55 0.00 0.00 41.25 39.59 1j7m s ASN 46 CO 0.00 -0.26 0.85 0.22 -2.79 0.00 0.00 177.10 175.12 1j7m h TYR 47 N 8.08 0.00 -0.57 0.43 3.20 -1.64 -3.02 116.97 123.45 1j7m h TYR 47 Ca -0.18 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.74 1j7m h TYR 47 Cb 1.09 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 1j7m h TYR 47 CO 0.41 0.87 0.38 -0.44 -1.64 0.00 0.00 178.16 177.74 1j7m h ASP 48 N 0.00 0.51 0.00 -2.11 3.32 -1.92 0.84 116.42 117.06 1j7m h ASP 48 Ca -0.19 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.65 1j7m h ASP 48 Cb 1.83 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.24 1j7m h ASP 48 CO 0.08 0.34 -1.33 0.47 -1.72 0.00 0.00 179.24 177.09 1j7m n ASP 49 N -4.47 1.87 -0.01 6.45 8.00 -1.26 -4.66 116.55 122.47 1j7m n ASP 49 Ca 0.07 0.45 -0.17 0.00 0.71 0.00 0.00 54.79 55.85 1j7m n ASP 49 Cb 0.20 -0.89 -0.10 0.00 -0.02 0.00 0.00 41.12 40.30 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 -1.00 0.57 -5.40 -2.24 5.19 -1.57 -3.48 116.42 108.49 1j7m h ASP 50 Ca -0.31 -0.70 -0.37 0.00 -0.62 0.00 0.00 57.03 55.03 1j7m h ASP 50 Cb 1.15 -0.17 0.12 0.00 0.18 0.00 0.00 39.33 40.62 1j7m h ASP 50 CO -0.19 1.18 -0.63 0.54 -3.12 0.00 0.00 179.24 177.03 1j7m n ARG 51 N -4.23 -7.21 -3.94 3.56 5.12 0.29 -5.00 116.66 105.24 1j7m n ARG 51 Ca -0.09 0.78 -0.35 0.00 -1.93 0.00 0.00 57.85 56.26 1j7m n ARG 51 Cb 0.63 -5.66 -0.14 0.00 -1.16 0.00 0.00 32.46 26.13 1j7m n ARG 51 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1j7m s LYS 52 N -6.18 3.18 0.36 5.56 3.01 -1.26 -5.08 119.74 119.34 1j7m s LYS 52 Ca 0.53 -0.75 0.03 0.00 -1.01 0.00 0.00 55.97 54.78 1j7m s LYS 52 Cb -0.23 -2.95 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 1j7m s LYS 52 CO 0.65 -0.26 0.11 1.67 0.51 0.00 0.00 175.35 178.04 1j7m s TRP 53 N 1.42 1.78 -0.15 3.18 1.48 -1.26 -2.75 118.94 122.64 1j7m s TRP 53 Ca 0.04 -1.21 -0.29 0.00 -1.06 0.00 0.00 56.10 53.58 1j7m s TRP 53 Cb -0.15 -1.12 0.11 0.00 -1.16 0.00 0.00 33.47 31.14 1j7m s TRP 53 CO -0.05 -0.26 0.89 0.20 -4.06 0.00 0.00 176.95 173.67 1j7m s GLY 54 N -3.52 -0.37 0.85 3.67 0.00 -0.83 -0.95 107.32 106.17 1j7m s GLY 54 Ca 0.30 1.90 -0.12 0.00 0.00 0.00 0.00 44.72 46.79 1j7m s GLY 54 CO 0.15 1.16 1.18 -1.36 0.00 0.00 0.00 173.10 174.23 1j7m s PHE 55 N -0.86 1.75 0.02 1.90 0.08 0.31 0.59 117.98 121.78 1j7m s PHE 55 Ca -0.04 1.72 -0.30 0.00 0.12 0.00 0.00 56.93 58.43 1j7m s PHE 55 Cb -0.01 -3.41 -0.06 0.00 -0.57 0.00 0.00 43.02 38.97 1j7m s PHE 55 CO 0.03 -2.79 1.38 0.00 -0.10 0.00 0.00 175.22 173.74 1j7m n PRO 57 N 5.08 1.06 -3.25 0.00 -0.04 -1.26 -3.86 135.00 132.73 1j7m n PRO 57 Ca 0.13 -0.09 -0.25 0.00 -0.04 0.00 0.00 63.50 63.25 1j7m n PRO 57 Cb 0.44 -1.21 -0.07 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.61 1.84 -4.88 3.54 2.03 -1.26 -5.09 116.55 112.11 1j7m n ASP 58 Ca 0.10 -3.07 -0.30 0.00 0.52 0.00 0.00 54.79 52.04 1j7m n ASP 58 Cb 0.07 -0.64 0.03 0.00 -0.72 0.00 0.00 41.12 39.86 1j7m n ASP 58 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1j7m s GLN 59 N -1.95 3.12 0.00 -0.67 -1.52 -1.25 -5.02 119.66 112.37 1j7m s GLN 59 Ca 0.38 0.51 0.00 0.00 -1.95 0.00 0.00 55.36 54.31 1j7m s GLN 59 Cb 0.19 -2.07 0.00 0.00 -0.22 0.00 0.00 33.01 30.91 1j7m s GLN 59 CO -0.07 -0.84 0.00 0.41 -0.25 0.00 0.00 175.29 174.54