#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 0.00 -1.24 0.66 7.02 -1.26 -4.73 117.44 117.89 1j7m n TRP 2 Ca 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.56 1j7m n TRP 2 Cb 0.00 0.00 0.12 0.00 -2.42 0.00 0.00 31.31 29.01 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1j7m n MET 3 N -1.13 1.10 0.00 -0.99 0.00 -1.26 -5.11 117.12 109.73 1j7m n MET 3 Ca 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 57.70 55.32 1j7m n MET 3 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 31.87 1j7m n MET 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1j7m n SER 4 N -1.20 -0.06 -4.73 3.17 2.88 -1.26 -4.80 113.62 107.61 1j7m n SER 4 Ca 0.14 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.43 1j7m n SER 4 Cb 0.66 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.04 1j7m n SER 4 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1j7m s THR 5 N 0.00 2.23 0.00 2.46 -4.23 -1.23 -4.65 115.64 110.22 1j7m s THR 5 Ca 0.00 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1j7m s THR 5 Cb 0.00 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1j7m s THR 5 CO 0.00 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 174.60 1j7m n VAL 6 N -1.23 0.00 0.00 2.29 0.31 -1.00 -4.82 118.33 113.89 1j7m n VAL 6 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1j7m n VAL 6 Cb 0.65 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 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 2.03 6.35 2.92 0.00 -1.26 0.90 105.19 121.13 1j7m n GLY 7 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.63 105.19 100.34 1j7m n GLY 8 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.03 0.00 -0.24 1.61 6.94 -0.89 -4.90 115.26 115.75 1j7m n ASN 9 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 54.58 54.54 1j7m n ASN 9 Cb 0.00 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.51 1j7m n ASN 9 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1j7m h SER 10 N 0.00 0.62 0.00 0.53 0.02 -1.83 -3.46 113.55 109.43 1j7m h SER 10 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1j7m h SER 10 Cb 0.00 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.43 1j7m h SER 10 CO 0.00 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 1j7m n GLY 11 N -1.29 2.19 2.37 -3.77 0.00 -1.26 -4.20 105.19 99.23 1j7m n GLY 11 Ca 0.08 0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 5.88 3.11 -0.02 0.00 -1.26 -4.11 105.19 108.79 1j7m n GLY 12 Ca 0.00 -2.35 -0.23 0.00 0.00 0.00 0.00 46.02 43.45 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 -3.84 1.21 0.73 4.61 0.00 -1.26 -4.99 121.76 118.21 1j7m s ALA 13 Ca 0.63 -0.62 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 1j7m s ALA 13 Cb 0.50 -0.32 0.07 0.00 0.00 0.00 0.00 23.12 23.37 1j7m s ALA 13 CO -0.05 0.29 1.04 -1.25 0.00 0.00 0.00 175.76 175.80 1j7m s PRO 14 N -0.29 2.11 0.21 0.00 0.04 -1.26 -3.58 135.00 132.22 1j7m s PRO 14 Ca 0.05 -0.23 -0.30 0.00 0.04 0.00 0.00 61.00 60.55 1j7m s PRO 14 Cb -0.06 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 1j7m s PRO 14 CO -0.00 -1.32 0.95 0.00 0.04 0.00 0.00 177.00 176.66 1j7m s VAL 16 N -0.87 5.15 -0.06 0.00 1.01 0.25 -4.94 120.40 120.95 1j7m s VAL 16 Ca 0.43 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1j7m s VAL 16 Cb -0.25 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 1j7m s VAL 16 CO 0.32 -0.31 -0.12 -0.36 0.00 0.00 0.00 175.10 174.63 1j7m s PHE 17 N 1.66 2.78 0.06 5.22 0.08 -1.26 -2.52 117.98 124.00 1j7m s PHE 17 Ca 0.04 -0.12 -0.23 0.00 0.12 0.00 0.00 56.93 56.75 1j7m s PHE 17 Cb -0.19 -1.66 -0.06 0.00 -0.57 0.00 0.00 43.02 40.53 1j7m s PHE 17 CO 0.09 0.22 0.68 -1.25 -0.10 0.00 0.00 175.22 174.86 1j7m s PRO 18 N -0.71 4.40 0.10 0.24 0.05 -1.26 -5.07 135.00 132.74 1j7m s PRO 18 Ca 0.11 0.92 0.01 0.00 0.05 0.00 0.00 61.00 62.09 1j7m s PRO 18 Cb -0.11 -3.31 0.02 0.00 0.05 0.00 0.00 34.50 31.14 1j7m s PRO 18 CO 0.01 0.43 0.13 1.97 0.05 0.00 0.00 177.00 179.60 1j7m n PHE 19 N 2.33 -2.93 -3.73 0.56 -1.74 0.69 -4.80 117.46 107.85 1j7m n PHE 19 Ca -0.06 -0.34 -0.15 0.00 -0.56 0.00 0.00 57.45 56.34 1j7m n PHE 19 Cb 0.50 -0.09 -0.15 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 0.34 -0.09 -0.00 1.97 2.01 -1.13 0.62 115.64 119.36 1j7m s THR 20 Ca 0.10 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.35 1j7m s THR 20 Cb -0.01 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 1j7m s THR 20 CO 0.06 0.09 -0.08 0.12 -0.69 0.00 0.00 174.62 174.13 1j7m s PHE 21 N 1.39 0.73 -0.72 4.92 5.36 0.55 -1.94 117.98 128.27 1j7m s PHE 21 Ca -0.07 -0.16 -0.09 0.00 -0.96 0.00 0.00 56.93 55.65 1j7m s PHE 21 Cb -0.12 -0.46 0.09 0.00 -0.34 0.00 0.00 43.02 42.19 1j7m s PHE 21 CO -0.05 -0.01 0.23 1.28 -1.46 0.00 0.00 175.22 175.20 1j7m n LEU 22 N 2.78 -0.32 0.00 6.12 7.99 -1.26 0.32 117.00 132.64 1j7m n LEU 22 Ca -0.14 -0.18 0.00 0.00 -0.01 0.00 0.00 56.01 55.68 1j7m n LEU 22 Cb 0.57 -1.20 0.00 0.00 -0.11 0.00 0.00 43.42 42.68 1j7m n LEU 22 CO 0.25 0.04 0.00 0.61 -1.51 0.00 0.00 177.39 176.78 1j7m n GLY 23 N -0.71 0.51 3.70 -0.72 0.00 -1.26 -5.07 105.19 101.64 1j7m n GLY 23 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.86 4.97 -0.19 1.61 0.01 0.15 -5.10 114.94 114.53 1j7m s ASN 24 Ca 0.00 -0.33 -0.16 0.00 -0.71 0.00 0.00 52.86 51.66 1j7m s ASN 24 Cb 0.00 -1.13 -0.04 0.00 0.41 0.00 0.00 41.25 40.49 1j7m s ASN 24 CO 0.00 0.08 0.40 -0.54 -1.51 0.00 0.00 177.10 175.53 1j7m s LYS 25 N -3.00 4.19 -0.32 -0.60 3.01 -1.26 -0.33 119.74 121.43 1j7m s LYS 25 Ca 0.28 0.21 -0.05 0.00 -1.01 0.00 0.00 55.97 55.40 1j7m s LYS 25 Cb -0.09 -3.52 0.04 0.00 -1.01 0.00 0.00 37.83 33.24 1j7m s LYS 25 CO 0.20 -0.00 0.07 0.71 0.51 0.00 0.00 175.35 176.84 1j7m s TYR 26 N 1.19 3.24 -0.98 3.18 1.51 0.20 -4.91 117.35 120.78 1j7m s TYR 26 Ca 0.19 -1.49 0.25 0.00 -1.01 0.00 0.00 57.07 55.01 1j7m s TYR 26 Cb -0.15 -2.22 0.46 0.00 -0.11 0.00 0.00 41.96 39.94 1j7m s TYR 26 CO 0.08 -0.73 1.38 0.39 -1.11 0.00 0.00 175.55 175.56 1j7m n GLU 27 N 4.77 0.02 -2.19 -0.62 1.02 -1.26 -0.22 120.64 122.15 1j7m n GLU 27 Ca -0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.00 1j7m n GLU 27 Cb 0.45 -1.51 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.53 0.29 -4.71 1.62 3.41 -1.26 -4.84 113.62 106.60 1j7m n SER 28 Ca 0.05 -1.18 -0.29 0.00 -0.26 0.00 0.00 58.87 57.19 1j7m n SER 28 Cb 0.34 0.12 0.15 0.00 -0.26 0.00 0.00 64.21 64.56 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 -2.97 0.02 -0.07 0.00 -1.32 0.83 -4.93 115.64 107.19 1j7m s THR 30 Ca 0.64 -1.75 0.11 0.00 -1.21 0.00 0.00 61.69 59.48 1j7m s THR 30 Cb -0.18 -2.30 0.16 0.00 -1.51 0.00 0.00 72.50 68.68 1j7m s THR 30 CO 0.57 -0.08 1.05 -1.54 -2.21 0.00 0.00 174.62 172.41 1j7m n SER 31 N -0.28 1.75 -4.77 8.08 3.41 -1.26 0.89 113.62 121.45 1j7m n SER 31 Ca -0.01 -2.54 -0.40 0.00 -0.26 0.00 0.00 58.87 55.66 1j7m n SER 31 Cb 0.64 -0.27 0.02 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.82 3.29 0.00 7.33 0.00 -1.26 -1.87 121.76 127.43 1j7m s ALA 32 Ca 0.18 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1j7m s ALA 32 Cb 0.16 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1j7m s ALA 32 CO 0.02 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 174.99 1j7m n GLY 33 N 0.55 1.29 0.24 0.00 0.00 -1.26 -4.75 105.19 101.26 1j7m n GLY 33 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1j7m n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j7m n ARG 34 N -2.00 0.00 -1.95 1.61 1.74 -0.80 -4.98 116.66 110.28 1j7m n ARG 34 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1j7m n ARG 34 Cb 0.00 -0.24 -0.05 0.00 -1.02 0.00 0.00 32.46 31.15 1j7m n ARG 34 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1j7m n SER 35 N -2.16 -5.57 -0.08 0.55 7.64 -0.78 -4.82 113.62 108.40 1j7m n SER 35 Ca 0.00 0.26 -0.09 0.00 1.01 0.00 0.00 58.87 60.05 1j7m n SER 35 Cb 0.00 -4.72 -0.11 0.00 -1.01 0.00 0.00 64.21 58.37 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 -1.52 1.79 0.00 6.43 5.75 -1.26 -5.06 116.55 122.68 1j7m n ASP 36 Ca -0.22 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 1j7m n ASP 36 Cb 0.67 0.46 0.00 0.00 -1.03 0.00 0.00 41.12 41.22 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 2.27 1.31 3.73 6.12 0.00 -1.26 -5.12 105.19 112.24 1j7m n GLY 37 Ca -0.27 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 2.60 -3.93 1.61 4.01 -1.26 -5.00 118.16 116.19 1j7m n LYS 38 Ca 0.00 0.93 -0.30 0.00 -0.51 0.00 0.00 58.31 58.42 1j7m n LYS 38 Cb 0.00 -2.69 -0.04 0.00 -0.51 0.00 0.00 35.03 31.79 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 -0.36 3.42 0.01 1.97 -1.94 -1.26 -4.73 119.30 116.41 1j7m s MET 39 Ca 0.66 -0.47 0.00 0.00 -1.71 0.00 0.00 55.69 54.17 1j7m s MET 39 Cb -0.52 -3.02 -0.00 0.00 2.01 0.00 0.00 34.83 33.30 1j7m s MET 39 CO 0.47 0.60 0.01 -2.67 -0.01 0.00 0.00 175.02 173.42 1j7m n TRP 40 N 0.17 -0.01 -3.67 -0.03 4.27 0.26 -0.03 117.44 118.39 1j7m n TRP 40 Ca -0.05 -0.08 -0.14 0.00 -3.89 0.00 0.00 57.50 53.34 1j7m n TRP 40 Cb 0.51 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 0.05 3.11 -1.92 0.00 0.00 -1.26 -1.06 121.76 120.69 1j7m s ALA 42 Ca -0.02 0.65 0.22 0.00 0.00 0.00 0.00 51.96 52.81 1j7m s ALA 42 Cb -0.04 -3.25 0.65 0.00 0.00 0.00 0.00 23.12 20.48 1j7m s ALA 42 CO 0.02 -0.12 1.54 0.25 0.00 0.00 0.00 175.76 177.45 1j7m n THR 43 N 0.04 1.05 -4.26 0.00 -2.24 -0.21 -0.58 114.28 108.08 1j7m n THR 43 Ca 0.04 -0.98 -0.20 0.00 -2.27 0.00 0.00 64.05 60.64 1j7m n THR 43 Cb 0.50 0.45 -0.11 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.11 1.45 0.30 4.28 -4.23 -1.25 -4.47 115.64 110.60 1j7m s THR 44 Ca 0.49 -1.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.31 1j7m s THR 44 Cb 0.26 -1.54 0.27 0.00 1.34 0.00 0.00 72.50 72.84 1j7m s THR 44 CO 0.32 -0.32 1.93 0.00 -0.54 0.00 0.00 174.62 176.00 1j7m h ALA 45 N 3.64 1.47 -3.63 3.99 0.00 -1.90 -3.37 119.26 119.47 1j7m h ALA 45 Ca -0.41 -0.04 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 1j7m h ALA 45 Cb 1.20 -0.30 -0.38 0.00 0.00 0.00 0.00 17.79 18.31 1j7m h ALA 45 CO 0.48 0.43 -0.80 1.21 0.00 0.00 0.00 179.25 180.57 1j7m s ASN 46 N -6.09 3.85 0.13 0.00 3.84 -1.26 -2.84 114.94 112.57 1j7m s ASN 46 Ca -0.12 -1.14 -0.12 0.00 0.21 0.00 0.00 52.86 51.69 1j7m s ASN 46 Cb 0.19 -1.28 -0.06 0.00 -0.55 0.00 0.00 41.25 39.55 1j7m s ASN 46 CO 0.80 -0.20 1.45 0.22 -2.79 0.00 0.00 177.10 176.58 1j7m h TYR 47 N 7.92 1.06 -0.06 0.43 3.20 -1.54 -3.06 116.97 124.91 1j7m h TYR 47 Ca -0.21 -0.33 -0.01 0.00 3.14 0.00 0.00 58.73 61.32 1j7m h TYR 47 Cb 1.07 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1j7m h TYR 47 CO 0.53 1.14 0.00 -0.44 -1.64 0.00 0.00 178.16 177.76 1j7m h ASP 48 N 0.67 0.07 0.46 -2.11 5.19 -1.95 0.94 116.42 119.70 1j7m h ASP 48 Ca 0.05 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1j7m h ASP 48 Cb 0.99 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.49 1j7m h ASP 48 CO 0.10 0.09 -0.22 0.44 -3.12 0.00 0.00 179.24 176.52 1j7m h ASP 49 N 0.09 -0.52 0.34 6.45 5.19 -1.88 -3.39 116.42 122.69 1j7m h ASP 49 Ca 0.02 0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 1j7m h ASP 49 Cb 0.05 0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 1j7m h ASP 49 CO 0.00 -0.16 -1.78 0.47 -3.12 0.00 0.00 179.24 174.65 1j7m n ASP 50 N -4.87 0.36 -3.67 6.45 8.00 -1.17 -5.02 116.55 116.64 1j7m n ASP 50 Ca -0.08 0.15 -0.22 0.00 0.71 0.00 0.00 54.79 55.35 1j7m n ASP 50 Cb 0.24 1.04 0.04 0.00 -0.02 0.00 0.00 41.12 42.42 1j7m n ASP 50 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1j7m n ARG 51 N -2.61 -4.17 -4.06 -1.24 1.74 0.33 -4.99 116.66 101.66 1j7m n ARG 51 Ca -0.11 0.61 -0.34 0.00 -0.77 0.00 0.00 57.85 57.24 1j7m n ARG 51 Cb 0.77 -5.07 -0.15 0.00 -1.02 0.00 0.00 32.46 26.99 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 -5.87 3.02 0.36 5.56 1.02 -1.26 -5.05 119.74 117.52 1j7m s LYS 52 Ca 0.10 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.30 1j7m s LYS 52 Cb -0.03 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1j7m s LYS 52 CO 0.82 -0.24 0.10 1.67 -0.92 0.00 0.00 175.35 176.77 1j7m s TRP 53 N 1.32 1.82 -0.25 3.18 1.48 -1.26 -1.04 118.94 124.19 1j7m s TRP 53 Ca 0.04 -1.16 -0.26 0.00 -1.06 0.00 0.00 56.10 53.66 1j7m s TRP 53 Cb -0.14 -1.17 0.09 0.00 -1.16 0.00 0.00 33.47 31.08 1j7m s TRP 53 CO -0.10 -0.20 0.81 0.20 -4.06 0.00 0.00 176.95 173.60 1j7m s GLY 54 N -3.53 -0.43 0.86 3.67 0.00 -0.22 -2.10 107.32 105.55 1j7m s GLY 54 Ca 0.30 2.12 -0.12 0.00 0.00 0.00 0.00 44.72 47.02 1j7m s GLY 54 CO 0.15 1.66 1.18 -1.36 0.00 0.00 0.00 173.10 174.73 1j7m s PHE 55 N 0.12 1.70 0.61 1.90 0.08 0.26 0.85 117.98 123.51 1j7m s PHE 55 Ca -0.00 1.73 -0.18 0.00 0.12 0.00 0.00 56.93 58.60 1j7m s PHE 55 Cb -0.04 -3.43 -0.03 0.00 -0.57 0.00 0.00 43.02 38.95 1j7m s PHE 55 CO 0.00 -2.85 1.21 0.00 -0.10 0.00 0.00 175.22 173.48 1j7m n PRO 57 N -1.74 2.58 -1.43 0.00 -0.04 -1.26 -4.55 135.00 128.56 1j7m n PRO 57 Ca 0.14 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 63.07 1j7m n PRO 57 Cb 0.50 0.00 -0.08 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 1.89 -4.38 3.54 -0.08 -1.26 -4.94 116.55 111.32 1j7m n ASP 58 Ca 0.00 0.52 -0.21 0.00 -1.51 0.00 0.00 54.79 53.59 1j7m n ASP 58 Cb 0.00 -1.18 -0.10 0.00 2.34 0.00 0.00 41.12 42.17 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 5.94 1.42 0.00 -0.67 -0.21 -1.26 -5.26 119.66 119.63 1j7m s GLN 59 Ca 1.11 -1.60 0.00 0.00 0.02 0.00 0.00 55.36 54.88 1j7m s GLN 59 Cb -1.00 -1.37 0.00 0.00 1.00 0.00 0.00 33.01 31.64 1j7m s GLN 59 CO 0.54 0.25 0.04 0.41 -2.12 0.00 0.00 175.29 174.41