#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 1.80 -1.13 1.43 0.51 -1.26 -5.07 118.94 115.21 1j7m s TRP 2 Ca 0.00 -0.60 -0.09 0.00 -2.12 0.00 0.00 56.10 53.30 1j7m s TRP 2 Cb 0.00 -1.23 0.26 0.00 -0.81 0.00 0.00 33.47 31.69 1j7m s TRP 2 CO 0.00 -0.24 1.28 -1.33 -0.51 0.00 0.00 176.95 176.15 1j7m n MET 3 N 3.38 3.72 0.00 4.98 2.81 -1.26 -5.00 117.12 125.75 1j7m n MET 3 Ca -0.20 -4.35 0.00 0.00 -1.81 0.00 0.00 57.70 51.35 1j7m n MET 3 Cb 0.53 -2.63 0.00 0.00 -0.71 0.00 0.00 33.22 30.40 1j7m n MET 3 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1j7m n SER 4 N 2.88 -5.03 -4.37 7.83 2.88 -1.26 -4.92 113.62 111.64 1j7m n SER 4 Ca 0.27 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.63 1j7m n SER 4 Cb 0.38 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.87 1j7m n SER 4 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1j7m n THR 5 N -1.46 0.00 -4.12 2.46 -2.24 -1.19 -4.79 114.28 102.94 1j7m n THR 5 Ca 0.00 -1.68 -0.10 0.00 -2.27 0.00 0.00 64.05 60.00 1j7m n THR 5 Cb 0.00 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.81 0.00 0.00 2.28 0.31 -1.13 -4.88 118.33 113.10 1j7m n VAL 6 Ca 0.06 -0.77 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 1j7m n VAL 6 Cb 0.50 0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 2.99 2.20 6.99 2.92 0.00 -1.26 0.12 105.19 119.14 1j7m n GLY 7 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.01 1.02 -0.02 0.00 -1.26 -4.57 105.19 101.37 1j7m n GLY 8 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.09 -0.52 -0.05 1.61 2.04 -0.68 -4.93 115.26 109.64 1j7m n ASN 9 Ca 0.00 -1.90 -0.10 0.00 -0.44 0.00 0.00 54.58 52.14 1j7m n ASN 9 Cb 0.00 0.15 -0.09 0.00 -2.53 0.00 0.00 39.78 37.31 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 0.17 -0.01 0.00 0.53 4.64 -1.81 -3.48 113.55 113.59 1j7m h SER 10 Ca -0.44 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 1j7m h SER 10 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1j7m h SER 10 CO -0.19 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 1j7m n GLY 11 N 1.55 2.39 1.57 -0.77 0.00 -1.26 -4.47 105.19 104.20 1j7m n GLY 11 Ca -0.07 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 1.02 3.57 -0.02 0.00 -1.26 -4.81 105.19 103.69 1j7m n GLY 12 Ca 0.00 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.31 2.97 0.77 4.61 0.00 -1.26 -4.86 121.76 123.68 1j7m s ALA 13 Ca 0.30 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.30 1j7m s ALA 13 Cb 0.35 -1.24 0.12 0.00 0.00 0.00 0.00 23.12 22.34 1j7m s ALA 13 CO -0.14 0.54 1.08 -1.25 0.00 0.00 0.00 175.76 176.00 1j7m s PRO 14 N -0.71 1.62 0.19 0.00 0.04 -1.26 -3.18 135.00 131.69 1j7m s PRO 14 Ca 0.11 -0.60 -0.30 0.00 0.04 0.00 0.00 61.00 60.25 1j7m s PRO 14 Cb -0.11 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1j7m s PRO 14 CO 0.02 -1.61 0.97 0.00 0.04 0.00 0.00 177.00 176.42 1j7m s VAL 16 N -0.70 4.91 -0.05 0.00 1.01 0.74 -4.95 120.40 121.37 1j7m s VAL 16 Ca 0.44 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.97 1j7m s VAL 16 Cb -0.26 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1j7m s VAL 16 CO 0.32 -0.09 -0.21 -0.36 0.00 0.00 0.00 175.10 174.76 1j7m s PHE 17 N 1.64 2.53 0.09 5.22 0.08 -1.26 -2.38 117.98 123.91 1j7m s PHE 17 Ca 0.05 -0.46 -0.22 0.00 0.12 0.00 0.00 56.93 56.41 1j7m s PHE 17 Cb -0.18 -1.61 -0.07 0.00 -0.57 0.00 0.00 43.02 40.59 1j7m s PHE 17 CO 0.08 -0.04 0.66 -1.25 -0.10 0.00 0.00 175.22 174.57 1j7m s PRO 18 N -0.41 4.37 0.00 0.24 0.04 -1.26 -5.08 135.00 132.90 1j7m s PRO 18 Ca 0.04 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1j7m s PRO 18 Cb -0.12 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1j7m s PRO 18 CO 0.02 0.55 0.00 1.97 0.04 0.00 0.00 177.00 179.58 1j7m n PHE 19 N 1.90 -2.02 -3.69 0.56 -1.74 0.13 -4.85 117.46 107.74 1j7m n PHE 19 Ca -0.08 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.68 1j7m n PHE 19 Cb 0.50 0.00 -0.14 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 0.61 -0.24 -0.12 1.97 2.01 -1.14 0.52 115.64 119.26 1j7m s THR 20 Ca 0.00 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1j7m s THR 20 Cb 0.00 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1j7m s THR 20 CO 0.00 0.10 -0.17 0.12 -0.69 0.00 0.00 174.62 173.98 1j7m s PHE 21 N 1.92 2.71 -1.19 4.92 5.36 0.10 -1.66 117.98 130.14 1j7m s PHE 21 Ca -0.03 -0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 55.01 1j7m s PHE 21 Cb -0.11 -1.80 0.08 0.00 -0.34 0.00 0.00 43.02 40.85 1j7m s PHE 21 CO -0.08 -0.32 0.20 1.28 -1.46 0.00 0.00 175.22 174.84 1j7m n LEU 22 N 3.59 -0.62 0.00 6.12 7.99 -1.26 0.23 117.00 133.05 1j7m n LEU 22 Ca -0.19 -0.88 0.00 0.00 -0.01 0.00 0.00 56.01 54.93 1j7m n LEU 22 Cb 0.53 -1.11 0.00 0.00 -0.11 0.00 0.00 43.42 42.73 1j7m n LEU 22 CO 0.29 0.20 0.00 0.61 -1.51 0.00 0.00 177.39 176.99 1j7m n GLY 23 N -1.52 2.35 3.52 -0.72 0.00 -1.26 -5.08 105.19 102.48 1j7m n GLY 23 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.43 4.54 -0.17 1.61 0.01 0.14 -5.08 114.94 114.56 1j7m s ASN 24 Ca 0.00 -0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 51.74 1j7m s ASN 24 Cb 0.00 -1.38 -0.01 0.00 0.41 0.00 0.00 41.25 40.27 1j7m s ASN 24 CO 0.00 0.28 1.21 -0.54 -1.51 0.00 0.00 177.10 176.53 1j7m s LYS 25 N -0.30 4.25 -0.23 -0.60 -0.14 -1.26 0.01 119.74 121.47 1j7m s LYS 25 Ca 0.04 1.60 -0.03 0.00 -1.36 0.00 0.00 55.97 56.21 1j7m s LYS 25 Cb -0.13 -3.71 0.00 0.00 -1.68 0.00 0.00 37.83 32.31 1j7m s LYS 25 CO 0.02 -0.66 -0.05 0.71 -0.76 0.00 0.00 175.35 174.62 1j7m s TYR 26 N 3.27 2.98 -0.75 3.18 2.02 0.19 -4.92 117.35 123.31 1j7m s TYR 26 Ca 0.53 -1.10 0.22 0.00 -0.37 0.00 0.00 57.07 56.34 1j7m s TYR 26 Cb -0.21 -2.09 -0.13 0.00 -0.40 0.00 0.00 41.96 39.13 1j7m s TYR 26 CO 0.14 -0.60 0.90 0.39 -1.57 0.00 0.00 175.55 174.80 1j7m n GLU 27 N 4.77 0.18 -3.08 -0.62 1.02 -1.26 0.19 120.64 121.83 1j7m n GLU 27 Ca -0.18 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 56.81 1j7m n GLU 27 Cb 0.50 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 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 -1.73 1.06 -4.73 1.62 3.41 -1.26 -4.82 113.62 107.16 1j7m n SER 28 Ca 0.02 -1.98 -0.30 0.00 -0.26 0.00 0.00 58.87 56.36 1j7m n SER 28 Cb 0.39 0.47 0.13 0.00 -0.26 0.00 0.00 64.21 64.94 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 -2.99 0.00 -0.09 0.00 -1.32 -0.15 -4.95 115.64 106.13 1j7m s THR 30 Ca 0.63 -1.69 0.14 0.00 -1.21 0.00 0.00 61.69 59.56 1j7m s THR 30 Cb -0.17 -2.38 0.21 0.00 -1.51 0.00 0.00 72.50 68.65 1j7m s THR 30 CO 0.56 0.00 1.10 -1.54 -2.21 0.00 0.00 174.62 172.53 1j7m n SER 31 N -0.48 1.92 -4.71 8.08 3.41 -1.26 0.92 113.62 121.50 1j7m n SER 31 Ca 0.00 -2.77 -0.43 0.00 -0.26 0.00 0.00 58.87 55.42 1j7m n SER 31 Cb 0.64 -0.34 -0.02 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 -1.10 1.99 -0.64 7.33 0.00 -1.26 -1.30 120.51 125.53 1j7m n ALA 32 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1j7m n ALA 32 Cb 0.60 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 2.28 1.43 3.47 0.00 0.00 -1.26 -4.99 105.19 106.12 1j7m n GLY 33 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 1.98 0.00 1.61 0.52 -0.42 -4.99 118.95 117.56 1j7m s ARG 34 Ca 0.00 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1j7m s ARG 34 Cb 0.00 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1j7m s ARG 34 CO 0.00 0.52 0.67 0.43 0.02 0.00 0.00 175.30 176.94 1j7m n SER 35 N 1.30 0.99 -0.03 0.23 7.64 -1.26 -4.77 113.62 117.72 1j7m n SER 35 Ca -0.16 -1.43 -0.22 0.00 1.01 0.00 0.00 58.87 58.07 1j7m n SER 35 Cb 0.52 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.22 2.06 0.00 6.43 5.75 -1.26 -5.03 116.55 124.28 1j7m n ASP 36 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 1j7m n ASP 36 Cb 0.30 -0.86 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 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 1.87 3.13 3.60 6.12 0.00 -1.26 -5.09 105.19 113.56 1j7m n GLY 37 Ca -0.33 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 3.19 0.22 1.61 -0.14 -1.26 -4.94 119.74 118.42 1j7m s LYS 38 Ca 0.00 2.04 -0.30 0.00 -1.36 0.00 0.00 55.97 56.35 1j7m s LYS 38 Cb 0.00 -4.36 -0.08 0.00 -1.68 0.00 0.00 37.83 31.71 1j7m s LYS 38 CO 0.00 -2.04 1.04 -1.64 -0.76 0.00 0.00 175.35 171.95 1j7m s MET 39 N 6.23 4.69 0.00 1.68 -1.94 -1.26 -4.81 119.30 123.89 1j7m s MET 39 Ca 0.99 1.65 0.00 0.00 -1.71 0.00 0.00 55.69 56.63 1j7m s MET 39 Cb -0.33 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.25 1j7m s MET 39 CO 0.35 0.25 0.00 -2.67 -0.01 0.00 0.00 175.02 172.94 1j7m n TRP 40 N 1.83 0.00 -3.62 -0.03 4.27 0.26 0.29 117.44 120.44 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 0.46 0.00 -0.07 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 0.28 2.83 -1.09 0.00 0.00 -1.26 -1.29 121.76 121.23 1j7m s ALA 42 Ca -0.00 0.72 0.17 0.00 0.00 0.00 0.00 51.96 52.85 1j7m s ALA 42 Cb -0.05 -3.30 0.59 0.00 0.00 0.00 0.00 23.12 20.35 1j7m s ALA 42 CO 0.01 -0.49 1.50 0.25 0.00 0.00 0.00 175.76 177.02 1j7m n THR 43 N -0.97 1.56 -4.12 0.00 -2.24 -0.27 -0.18 114.28 108.05 1j7m n THR 43 Ca 0.10 -1.21 -0.12 0.00 -2.27 0.00 0.00 64.05 60.54 1j7m n THR 43 Cb 0.51 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.63 0.67 0.17 4.28 -4.23 -1.26 -4.64 115.64 109.00 1j7m s THR 44 Ca 0.43 -1.47 -0.13 0.00 -1.18 0.00 0.00 61.69 59.34 1j7m s THR 44 Cb 0.27 -1.11 0.07 0.00 1.34 0.00 0.00 72.50 73.07 1j7m s THR 44 CO 0.22 -0.58 1.76 0.00 -0.54 0.00 0.00 174.62 175.48 1j7m h ALA 45 N 3.81 0.74 -3.67 3.99 0.00 -1.90 -3.38 119.26 118.84 1j7m h ALA 45 Ca -0.36 -0.12 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1j7m h ALA 45 Cb 1.19 -0.23 -0.36 0.00 0.00 0.00 0.00 17.79 18.39 1j7m h ALA 45 CO 0.51 0.30 -0.73 1.21 0.00 0.00 0.00 179.25 180.53 1j7m s ASN 46 N -5.96 4.71 0.16 0.00 3.84 -1.26 -2.88 114.94 113.55 1j7m s ASN 46 Ca -0.13 -1.58 0.05 0.00 0.21 0.00 0.00 52.86 51.40 1j7m s ASN 46 Cb 0.13 -1.64 -0.04 0.00 -0.55 0.00 0.00 41.25 39.15 1j7m s ASN 46 CO 0.78 -0.28 1.36 0.22 -2.79 0.00 0.00 177.10 176.39 1j7m h TYR 47 N 7.82 0.17 -1.06 0.43 5.03 -1.50 -2.83 116.97 125.03 1j7m h TYR 47 Ca -0.16 -0.10 0.28 0.00 2.58 0.00 0.00 58.73 61.33 1j7m h TYR 47 Cb 1.04 -0.02 -0.10 0.00 1.55 0.00 0.00 36.73 39.21 1j7m h TYR 47 CO 0.59 0.96 0.68 -0.44 -1.32 0.00 0.00 178.16 178.63 1j7m h ASP 48 N 0.05 0.44 0.00 -2.11 5.19 -1.89 0.21 116.42 118.31 1j7m h ASP 48 Ca -0.04 0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 56.35 1j7m h ASP 48 Cb 1.57 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 41.09 1j7m h ASP 48 CO 0.13 0.06 -1.29 0.47 -3.12 0.00 0.00 179.24 175.49 1j7m n ASP 49 N -4.65 1.92 0.15 6.45 9.92 -1.23 -4.67 116.55 124.45 1j7m n ASP 49 Ca 0.27 0.38 0.02 0.00 -0.53 0.00 0.00 54.79 54.93 1j7m n ASP 49 Cb 0.93 -0.79 0.20 0.00 -0.64 0.00 0.00 41.12 40.82 1j7m n ASP 49 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1j7m h ASP 50 N -1.00 0.00 -6.79 -2.24 5.19 -1.49 -3.48 116.42 106.62 1j7m h ASP 50 Ca -0.17 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.68 1j7m h ASP 50 Cb 1.08 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.46 1j7m h ASP 50 CO -0.11 0.52 -0.92 0.54 -3.12 0.00 0.00 179.24 176.15 1j7m n ARG 51 N -3.54 -2.18 -4.05 3.56 1.74 0.74 -4.96 116.66 107.96 1j7m n ARG 51 Ca -0.00 0.26 -0.34 0.00 -0.77 0.00 0.00 57.85 56.99 1j7m n ARG 51 Cb 0.61 -4.13 -0.15 0.00 -1.02 0.00 0.00 32.46 27.78 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 -6.96 3.25 0.36 5.56 1.02 -1.26 -5.07 119.74 116.64 1j7m s LYS 52 Ca 0.05 -0.70 0.04 0.00 0.02 0.00 0.00 55.97 55.38 1j7m s LYS 52 Cb -0.03 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1j7m s LYS 52 CO 0.94 -0.17 0.08 1.67 -0.92 0.00 0.00 175.35 176.96 1j7m s TRP 53 N 1.32 1.89 -0.21 3.18 1.48 -1.26 -1.12 118.94 124.23 1j7m s TRP 53 Ca 0.04 -1.06 -0.27 0.00 -1.06 0.00 0.00 56.10 53.74 1j7m s TRP 53 Cb -0.14 -1.25 0.09 0.00 -1.16 0.00 0.00 33.47 31.01 1j7m s TRP 53 CO -0.06 -0.08 0.85 0.20 -4.06 0.00 0.00 176.95 173.80 1j7m s GLY 54 N -3.54 -0.39 0.78 3.67 0.00 -0.41 -1.69 107.32 105.74 1j7m s GLY 54 Ca 0.31 2.06 -0.14 0.00 0.00 0.00 0.00 44.72 46.95 1j7m s GLY 54 CO 0.15 1.47 1.21 -1.36 0.00 0.00 0.00 173.10 174.57 1j7m s PHE 55 N -0.27 1.89 -0.21 1.90 0.08 0.33 0.11 117.98 121.82 1j7m s PHE 55 Ca -0.02 1.64 -0.29 0.00 0.12 0.00 0.00 56.93 58.38 1j7m s PHE 55 Cb -0.03 -3.49 -0.04 0.00 -0.57 0.00 0.00 43.02 38.89 1j7m s PHE 55 CO 0.01 -2.79 1.77 0.00 -0.10 0.00 0.00 175.22 174.11 1j7m n PRO 57 N 7.93 1.30 -3.44 0.00 -0.04 -1.26 -4.50 135.00 134.99 1j7m n PRO 57 Ca 0.21 -0.46 -0.24 0.00 -0.04 0.00 0.00 63.50 62.97 1j7m n PRO 57 Cb 0.45 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.46 2.42 -0.16 3.54 2.15 -1.26 -4.97 116.67 116.94 1j7m s ASP 58 Ca 0.25 -1.63 0.14 0.00 0.43 0.00 0.00 52.55 51.75 1j7m s ASP 58 Cb 0.13 0.00 0.38 0.00 -0.30 0.00 0.00 42.92 43.12 1j7m s ASP 58 CO 0.20 -0.34 1.19 0.00 -0.17 0.00 0.00 175.17 176.05 1j7m n GLN 59 N 4.54 1.24 0.00 4.34 6.02 -1.26 -5.05 117.38 127.20 1j7m n GLN 59 Ca 0.06 -2.88 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 1j7m n GLN 59 Cb 0.42 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46