#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 2.32 -0.64 7.33 -0.11 -1.26 -4.77 118.94 121.81 1j7m s TRP 2 Ca 0.00 -0.45 0.01 0.00 1.22 0.00 0.00 56.10 56.87 1j7m s TRP 2 Cb 0.00 -4.44 0.41 0.00 -1.50 0.00 0.00 33.47 27.94 1j7m s TRP 2 CO 0.00 -1.73 1.73 0.00 -4.62 0.00 0.00 176.95 172.33 1j7m n MET 3 N 8.66 2.99 -0.95 5.86 0.00 -1.26 -4.83 117.12 127.59 1j7m n MET 3 Ca 0.41 -3.74 -0.20 0.00 0.00 0.00 0.00 57.70 54.17 1j7m n MET 3 Cb 0.48 -2.27 0.15 0.00 0.00 0.00 0.00 33.22 31.58 1j7m n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1j7m n SER 4 N -0.66 -0.93 -4.90 3.17 7.64 -1.26 -4.65 113.62 112.04 1j7m n SER 4 Ca 0.52 -1.11 -0.20 0.00 1.01 0.00 0.00 58.87 59.09 1j7m n SER 4 Cb 0.53 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 1j7m n SER 4 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1j7m s THR 5 N -2.59 2.79 0.00 0.44 -4.23 -1.26 -3.91 115.64 106.89 1j7m s THR 5 Ca 0.48 -1.28 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 1j7m s THR 5 Cb -0.03 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1j7m s THR 5 CO 0.36 -0.01 0.00 0.52 -0.54 0.00 0.00 174.62 174.94 1j7m n VAL 6 N -1.59 0.00 0.00 2.29 0.31 -0.84 -4.23 118.33 114.27 1j7m n VAL 6 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1j7m n VAL 6 Cb 0.61 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.54 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 3.13 1.97 7.00 2.92 0.00 -1.26 0.13 105.19 119.08 1j7m n GLY 7 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.96 0.00 -0.02 0.00 -1.26 -4.44 105.19 100.42 1j7m n GLY 8 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.54 1.57 0.23 1.61 0.23 -0.58 -4.78 115.26 110.00 1j7m n ASN 9 Ca 0.00 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.16 1j7m n ASN 9 Cb 0.00 0.14 0.69 0.00 -2.08 0.00 0.00 39.78 38.53 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 0.00 0.00 0.53 0.02 -1.80 -3.48 113.55 108.82 1j7m h SER 10 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1j7m h SER 10 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1j7m h SER 10 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1j7m n GLY 11 N -1.52 0.94 2.33 -3.77 0.00 -1.26 -4.35 105.19 97.55 1j7m n GLY 11 Ca -0.01 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 4.69 3.79 -0.02 0.00 -1.26 -3.73 105.19 108.65 1j7m n GLY 12 Ca 0.00 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 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 -3.67 3.51 0.22 4.61 0.00 -1.26 -4.03 121.76 121.14 1j7m s ALA 13 Ca 0.42 0.15 -0.32 0.00 0.00 0.00 0.00 51.96 52.21 1j7m s ALA 13 Cb 0.38 -2.78 -0.13 0.00 0.00 0.00 0.00 23.12 20.59 1j7m s ALA 13 CO 0.01 0.29 1.55 -2.30 0.00 0.00 0.00 175.76 175.32 1j7m n PRO 14 N 1.98 2.34 -2.45 0.00 -0.02 -1.26 -4.04 135.00 131.54 1j7m n PRO 14 Ca -0.08 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 1j7m n PRO 14 Cb 0.50 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1j7m n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j7m s VAL 16 N 0.92 4.69 0.00 0.00 1.01 -0.66 -4.95 120.40 121.42 1j7m s VAL 16 Ca 0.57 1.56 0.07 0.00 0.00 0.00 0.00 61.98 64.18 1j7m s VAL 16 Cb -0.29 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1j7m s VAL 16 CO 0.30 -0.28 -0.23 -0.36 0.00 0.00 0.00 175.10 174.53 1j7m s PHE 17 N 3.19 2.43 0.13 5.22 0.08 -1.26 -2.97 117.98 124.80 1j7m s PHE 17 Ca 0.39 -0.35 -0.24 0.00 0.12 0.00 0.00 56.93 56.85 1j7m s PHE 17 Cb -0.14 -1.49 -0.07 0.00 -0.57 0.00 0.00 43.02 40.75 1j7m s PHE 17 CO 0.11 0.10 0.72 -1.25 -0.10 0.00 0.00 175.22 174.80 1j7m s PRO 18 N -0.95 4.46 0.00 0.24 0.05 -1.26 -5.07 135.00 132.47 1j7m s PRO 18 Ca 0.12 1.03 0.00 0.00 0.05 0.00 0.00 61.00 62.19 1j7m s PRO 18 Cb -0.10 -3.27 0.00 0.00 0.05 0.00 0.00 34.50 31.18 1j7m s PRO 18 CO 0.01 0.56 0.00 1.97 0.05 0.00 0.00 177.00 179.59 1j7m n PHE 19 N 1.78 -1.95 -3.69 0.56 -1.74 0.18 -4.81 117.46 107.78 1j7m n PHE 19 Ca -0.07 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.71 1j7m n PHE 19 Cb 0.49 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.37 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 1.33 -0.20 -0.01 1.97 2.01 -1.13 0.44 115.64 120.04 1j7m s THR 20 Ca 0.00 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.21 1j7m s THR 20 Cb 0.00 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 72.00 1j7m s THR 20 CO 0.00 0.07 -0.14 0.12 -0.69 0.00 0.00 174.62 173.98 1j7m s PHE 21 N 1.75 1.25 -1.15 4.92 5.36 0.95 -2.72 117.98 128.33 1j7m s PHE 21 Ca -0.06 -0.26 -0.04 0.00 -0.96 0.00 0.00 56.93 55.61 1j7m s PHE 21 Cb -0.10 -0.81 0.04 0.00 -0.34 0.00 0.00 43.02 41.80 1j7m s PHE 21 CO -0.10 -0.04 0.11 1.28 -1.46 0.00 0.00 175.22 175.00 1j7m n LEU 22 N 2.83 -0.65 0.00 6.12 7.99 -1.26 0.56 117.00 132.59 1j7m n LEU 22 Ca -0.15 -0.90 0.00 0.00 -0.01 0.00 0.00 56.01 54.96 1j7m n LEU 22 Cb 0.55 -1.12 0.00 0.00 -0.11 0.00 0.00 43.42 42.74 1j7m n LEU 22 CO 0.24 0.27 0.00 0.61 -1.51 0.00 0.00 177.39 177.00 1j7m n GLY 23 N -1.81 1.64 3.39 -0.72 0.00 -1.26 -5.05 105.19 101.38 1j7m n GLY 23 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.39 3.85 -0.10 1.61 0.01 0.19 -5.09 114.94 113.02 1j7m s ASN 24 Ca 0.00 -0.31 -0.30 0.00 -0.71 0.00 0.00 52.86 51.54 1j7m s ASN 24 Cb 0.00 -1.20 -0.02 0.00 0.41 0.00 0.00 41.25 40.44 1j7m s ASN 24 CO 0.00 0.24 1.05 -0.54 -1.51 0.00 0.00 177.10 176.35 1j7m s LYS 25 N -0.13 4.40 -0.24 -0.60 1.02 -1.26 -0.04 119.74 122.88 1j7m s LYS 25 Ca -0.02 1.45 -0.05 0.00 0.02 0.00 0.00 55.97 57.37 1j7m s LYS 25 Cb -0.14 -3.55 -0.01 0.00 -0.52 0.00 0.00 37.83 33.61 1j7m s LYS 25 CO 0.04 -0.36 0.01 0.71 -0.92 0.00 0.00 175.35 174.82 1j7m s TYR 26 N 2.13 3.03 -1.22 3.18 2.02 0.17 -4.91 117.35 121.76 1j7m s TYR 26 Ca 0.50 -0.83 0.25 0.00 -0.37 0.00 0.00 57.07 56.62 1j7m s TYR 26 Cb -0.19 -2.17 0.45 0.00 -0.40 0.00 0.00 41.96 39.65 1j7m s TYR 26 CO 0.18 -0.51 1.37 0.39 -1.57 0.00 0.00 175.55 175.42 1j7m n GLU 27 N 4.84 0.25 -0.96 -0.62 1.02 -1.26 0.48 120.64 124.39 1j7m n GLU 27 Ca -0.17 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1j7m n GLU 27 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.24 0.00 -4.74 1.62 3.41 -1.26 -4.80 113.62 106.61 1j7m n SER 28 Ca 0.07 -0.49 -0.29 0.00 -0.26 0.00 0.00 58.87 57.90 1j7m n SER 28 Cb 0.34 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.43 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 -3.10 0.04 -0.14 0.00 -1.32 0.11 -4.95 115.64 106.28 1j7m s THR 30 Ca 0.64 -1.32 0.17 0.00 -1.21 0.00 0.00 61.69 59.97 1j7m s THR 30 Cb -0.16 -1.93 0.30 0.00 -1.51 0.00 0.00 72.50 69.20 1j7m s THR 30 CO 0.55 -0.17 1.16 -1.54 -2.21 0.00 0.00 174.62 172.41 1j7m n SER 31 N -0.29 2.19 -4.78 8.08 3.41 -1.26 0.83 113.62 121.81 1j7m n SER 31 Ca -0.06 -3.19 -0.41 0.00 -0.26 0.00 0.00 58.87 54.96 1j7m n SER 31 Cb 0.63 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.86 3.51 0.00 7.33 0.00 -1.26 -1.68 121.76 126.80 1j7m s ALA 32 Ca 0.32 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1j7m s ALA 32 Cb 0.29 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1j7m s ALA 32 CO 0.01 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.12 1j7m n GLY 33 N 0.49 1.74 0.30 0.00 0.00 -1.26 -4.73 105.19 101.73 1j7m n GLY 33 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 0.17 -1.28 1.61 1.74 -0.89 -4.98 116.66 111.02 1j7m n ARG 34 Ca 0.00 0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1j7m n ARG 34 Cb 0.00 -0.71 -0.04 0.00 -1.02 0.00 0.00 32.46 30.69 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 -3.23 -5.18 0.00 0.55 7.64 -0.68 -4.87 113.62 107.86 1j7m n SER 35 Ca -0.04 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1j7m n SER 35 Cb 0.16 -3.54 0.00 0.00 -1.01 0.00 0.00 64.21 59.82 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 -0.75 0.00 0.00 6.43 5.68 -1.26 -5.05 116.55 121.60 1j7m n ASP 36 Ca -0.10 0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.35 1j7m n ASP 36 Cb 0.49 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 1.79 0.00 3.63 6.12 0.00 -1.26 -5.11 105.19 110.36 1j7m n GLY 37 Ca 0.00 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.39 3.82 0.22 1.61 3.01 -1.26 -5.00 119.74 121.74 1j7m s LYS 38 Ca 0.00 1.34 -0.16 0.00 -1.01 0.00 0.00 55.97 56.14 1j7m s LYS 38 Cb 0.00 -3.95 -0.08 0.00 -1.01 0.00 0.00 37.83 32.79 1j7m s LYS 38 CO 0.00 -1.25 0.65 -1.64 0.51 0.00 0.00 175.35 173.61 1j7m s MET 39 N 4.46 4.05 0.00 1.68 -1.94 -1.26 -4.78 119.30 121.52 1j7m s MET 39 Ca 0.62 0.63 0.00 0.00 -1.71 0.00 0.00 55.69 55.23 1j7m s MET 39 Cb -0.19 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 33.87 1j7m s MET 39 CO 0.26 0.37 0.00 -2.67 -0.01 0.00 0.00 175.02 172.97 1j7m n TRP 40 N 0.43 0.00 -3.55 -0.03 4.27 0.24 0.38 117.44 119.18 1j7m n TRP 40 Ca -0.02 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.51 1j7m n TRP 40 Cb 0.52 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.44 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 -2.16 3.27 -1.69 0.00 0.00 -1.26 -1.03 121.76 118.88 1j7m s ALA 42 Ca 0.03 0.30 0.19 0.00 0.00 0.00 0.00 51.96 52.49 1j7m s ALA 42 Cb -0.01 -2.99 0.62 0.00 0.00 0.00 0.00 23.12 20.74 1j7m s ALA 42 CO -0.04 0.24 1.52 0.25 0.00 0.00 0.00 175.76 177.73 1j7m n THR 43 N 0.27 1.19 -4.18 0.00 -2.24 -0.38 -1.66 114.28 107.28 1j7m n THR 43 Ca 0.02 -0.96 -0.12 0.00 -2.27 0.00 0.00 64.05 60.71 1j7m n THR 43 Cb 0.52 0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.38 0.80 0.15 4.28 -4.23 -1.26 -4.34 115.64 109.66 1j7m s THR 44 Ca 0.46 -1.88 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1j7m s THR 44 Cb 0.26 -1.61 0.03 0.00 1.34 0.00 0.00 72.50 72.51 1j7m s THR 44 CO 0.28 -0.79 1.75 0.00 -0.54 0.00 0.00 174.62 175.32 1j7m h ALA 45 N 3.09 0.59 -3.57 3.99 0.00 -1.90 -3.38 119.26 118.07 1j7m h ALA 45 Ca -0.36 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 53.78 1j7m h ALA 45 Cb 1.17 -0.18 -0.35 0.00 0.00 0.00 0.00 17.79 18.43 1j7m h ALA 45 CO 0.62 0.12 -0.71 1.21 0.00 0.00 0.00 179.25 180.49 1j7m s ASN 46 N -5.78 4.82 0.13 0.00 3.84 -1.26 -2.85 114.94 113.83 1j7m s ASN 46 Ca -0.13 -1.56 -0.11 0.00 0.21 0.00 0.00 52.86 51.27 1j7m s ASN 46 Cb 0.11 -1.68 -0.08 0.00 -0.55 0.00 0.00 41.25 39.05 1j7m s ASN 46 CO 0.75 -0.31 1.39 0.22 -2.79 0.00 0.00 177.10 176.36 1j7m h TYR 47 N 7.89 1.04 -1.01 0.43 3.20 -1.70 -2.94 116.97 123.88 1j7m h TYR 47 Ca -0.17 -0.40 0.24 0.00 3.14 0.00 0.00 58.73 61.54 1j7m h TYR 47 Cb 1.05 -0.18 -0.10 0.00 1.54 0.00 0.00 36.73 39.04 1j7m h TYR 47 CO 0.59 1.22 0.64 -0.44 -1.64 0.00 0.00 178.16 178.53 1j7m h ASP 48 N 0.60 0.54 0.00 -2.11 3.32 -1.93 0.71 116.42 117.54 1j7m h ASP 48 Ca -0.01 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1j7m h ASP 48 Cb 1.23 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 1j7m h ASP 48 CO 0.13 0.14 -0.47 0.44 -1.72 0.00 0.00 179.24 177.76 1j7m h ASP 49 N 0.50 0.00 1.33 6.45 5.19 -1.92 -3.40 116.42 124.56 1j7m h ASP 49 Ca 0.58 -0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.83 1j7m h ASP 49 Cb 1.30 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1j7m h ASP 49 CO -0.32 0.80 -0.31 0.44 -3.12 0.00 0.00 179.24 176.73 1j7m h ASP 50 N -1.00 0.00 -6.73 6.45 5.19 -1.47 -3.48 116.42 115.38 1j7m h ASP 50 Ca -0.04 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.82 1j7m h ASP 50 Cb 0.51 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.90 1j7m h ASP 50 CO -0.02 0.31 -0.91 0.54 -3.12 0.00 0.00 179.24 176.03 1j7m n ARG 51 N -3.27 -2.40 -4.02 3.56 1.74 0.25 -4.96 116.66 107.55 1j7m n ARG 51 Ca 0.01 0.29 -0.34 0.00 -0.77 0.00 0.00 57.85 57.04 1j7m n ARG 51 Cb 0.57 -4.22 -0.15 0.00 -1.02 0.00 0.00 32.46 27.64 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 -6.88 2.95 0.34 5.56 1.02 -1.26 -5.03 119.74 116.43 1j7m s LYS 52 Ca 0.05 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.19 1j7m s LYS 52 Cb -0.03 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 1j7m s LYS 52 CO 0.93 -0.30 0.08 1.67 -0.92 0.00 0.00 175.35 176.81 1j7m s TRP 53 N 1.32 1.87 -0.20 3.18 1.48 -1.26 -1.24 118.94 124.09 1j7m s TRP 53 Ca 0.02 -1.07 -0.28 0.00 -1.06 0.00 0.00 56.10 53.72 1j7m s TRP 53 Cb -0.15 -1.22 0.10 0.00 -1.16 0.00 0.00 33.47 31.05 1j7m s TRP 53 CO -0.08 -0.10 0.89 0.20 -4.06 0.00 0.00 176.95 173.80 1j7m s GLY 54 N -3.50 -0.35 0.83 3.67 0.00 -0.20 -1.53 107.32 106.24 1j7m s GLY 54 Ca 0.33 2.09 -0.11 0.00 0.00 0.00 0.00 44.72 47.02 1j7m s GLY 54 CO 0.15 1.41 1.15 -1.36 0.00 0.00 0.00 173.10 174.44 1j7m s PHE 55 N -0.42 1.97 0.34 1.90 0.08 0.35 0.36 117.98 122.55 1j7m s PHE 55 Ca -0.02 1.69 -0.27 0.00 0.12 0.00 0.00 56.93 58.45 1j7m s PHE 55 Cb -0.03 -3.30 -0.09 0.00 -0.57 0.00 0.00 43.02 39.03 1j7m s PHE 55 CO 0.01 -2.49 1.10 0.00 -0.10 0.00 0.00 175.22 173.74 1j7m n PRO 57 N 0.62 2.34 -1.82 0.00 -0.04 -1.25 -4.66 135.00 130.18 1j7m n PRO 57 Ca 0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.06 1j7m n PRO 57 Cb 0.46 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.28 5.57 -0.49 3.54 2.15 -1.26 -4.93 116.67 119.97 1j7m s ASP 58 Ca 0.00 1.43 -0.23 0.00 0.43 0.00 0.00 52.55 54.19 1j7m s ASP 58 Cb 0.00 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1j7m s ASP 58 CO 0.00 -1.94 0.79 -1.10 -0.17 0.00 0.00 175.17 172.75 1j7m s GLN 59 N 6.22 3.32 0.00 4.34 -0.21 -1.26 -5.12 119.66 126.95 1j7m s GLN 59 Ca 0.88 -0.31 0.31 0.00 0.02 0.00 0.00 55.36 56.26 1j7m s GLN 59 Cb -0.25 -4.00 1.64 0.00 1.00 0.00 0.00 33.01 31.40 1j7m s GLN 59 CO 0.33 -1.23 2.08 0.41 -2.12 0.00 0.00 175.29 174.75