#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 -2.15 -2.09 1.43 8.01 -1.26 -4.83 117.44 116.55 1j7m n TRP 2 Ca 0.00 1.12 -0.39 0.00 -1.31 0.00 0.00 57.50 56.92 1j7m n TRP 2 Cb 0.00 -2.48 0.03 0.00 -2.01 0.00 0.00 31.31 26.86 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1j7m n MET 3 N -0.06 3.19 0.00 -0.99 0.00 -1.26 -5.01 117.12 112.99 1j7m n MET 3 Ca 0.00 -3.79 0.00 0.00 0.00 0.00 0.00 57.70 53.91 1j7m n MET 3 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 33.22 30.93 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 -0.46 -2.27 -4.69 3.17 2.88 -1.26 -4.92 113.62 106.06 1j7m n SER 4 Ca 0.51 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.82 1j7m n SER 4 Cb 0.28 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.66 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 2.96 0.00 2.46 -4.23 -1.26 -4.93 115.64 110.64 1j7m s THR 5 Ca 0.00 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1j7m s THR 5 Cb 0.00 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1j7m s THR 5 CO 0.00 -0.22 0.00 0.52 -0.54 0.00 0.00 174.62 174.38 1j7m n VAL 6 N -1.05 0.00 0.00 2.29 0.31 -0.78 -4.76 118.33 114.34 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 0.61 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 2.23 6.02 2.92 0.00 -1.26 0.13 105.19 120.22 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 0.77 0.00 -0.02 0.00 -1.26 -4.66 105.19 100.02 1j7m n GLY 8 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.21 0.00 -0.05 1.61 6.94 -1.06 -4.94 115.26 114.56 1j7m n ASN 9 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.42 1j7m n ASN 9 Cb 0.00 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 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 -1.71 -4.72 0.53 0.02 -1.87 -3.48 113.55 102.32 1j7m h SER 10 Ca 0.00 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1j7m h SER 10 Cb 0.00 0.68 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1j7m h SER 10 CO 0.00 -0.46 -0.49 0.61 -1.14 0.00 0.00 176.83 175.35 1j7m n GLY 11 N -1.42 -1.97 0.00 -3.77 0.00 -1.26 -4.65 105.19 92.12 1j7m n GLY 11 Ca -0.05 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.10 1.26 3.81 -0.02 0.00 -1.26 -5.09 105.19 103.79 1j7m n GLY 12 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.07 3.55 0.66 4.61 0.00 -1.26 -4.92 121.76 123.32 1j7m s ALA 13 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 1j7m s ALA 13 Cb 0.00 -2.69 0.03 0.00 0.00 0.00 0.00 23.12 20.46 1j7m s ALA 13 CO 0.00 0.38 0.99 -1.25 0.00 0.00 0.00 175.76 175.88 1j7m s PRO 14 N -1.36 2.66 -0.14 0.00 0.04 -1.26 -4.10 135.00 130.84 1j7m s PRO 14 Ca 0.33 0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.11 1j7m s PRO 14 Cb -0.19 -2.17 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 1j7m s PRO 14 CO 0.20 -0.97 1.28 0.00 0.04 0.00 0.00 177.00 177.56 1j7m s VAL 16 N 3.33 4.68 -0.12 0.00 1.01 0.18 -4.96 120.40 124.52 1j7m s VAL 16 Ca 0.56 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 1j7m s VAL 16 Cb -0.23 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.71 1j7m s VAL 16 CO 0.17 -0.94 0.13 -0.36 0.00 0.00 0.00 175.10 174.09 1j7m s PHE 17 N 3.15 3.56 -0.11 5.22 0.08 -1.26 -1.89 117.98 126.72 1j7m s PHE 17 Ca 0.21 0.49 -0.22 0.00 0.12 0.00 0.00 56.93 57.53 1j7m s PHE 17 Cb -0.17 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1j7m s PHE 17 CO 0.14 0.69 0.67 -1.25 -0.10 0.00 0.00 175.22 175.37 1j7m s PRO 18 N -0.91 4.36 -0.16 0.24 0.05 -1.26 -5.02 135.00 132.30 1j7m s PRO 18 Ca 0.14 0.77 -0.18 0.00 0.05 0.00 0.00 61.00 61.79 1j7m s PRO 18 Cb -0.12 -3.49 -0.04 0.00 0.05 0.00 0.00 34.50 30.91 1j7m s PRO 18 CO 0.03 -0.03 0.48 -0.59 0.05 0.00 0.00 177.00 176.95 1j7m s PHE 19 N 1.14 3.44 -0.23 0.56 -0.71 0.31 -4.56 117.98 117.93 1j7m s PHE 19 Ca 0.34 0.80 -0.19 0.00 -1.04 0.00 0.00 56.93 56.83 1j7m s PHE 19 Cb -0.17 -2.59 -0.03 0.00 -1.21 0.00 0.00 43.02 39.03 1j7m s PHE 19 CO 0.15 0.04 0.58 0.99 -1.34 0.00 0.00 175.22 175.63 1j7m s THR 20 N 1.11 5.04 0.02 -4.49 2.01 -0.76 0.82 115.64 119.38 1j7m s THR 20 Ca 0.24 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.34 1j7m s THR 20 Cb -0.15 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 1j7m s THR 20 CO 0.09 0.09 -0.16 0.12 -0.69 0.00 0.00 174.62 174.07 1j7m s PHE 21 N 2.14 1.45 -1.14 4.92 5.36 0.11 -1.47 117.98 129.35 1j7m s PHE 21 Ca 0.25 -0.32 -0.12 0.00 -0.96 0.00 0.00 56.93 55.78 1j7m s PHE 21 Cb -0.16 -0.89 0.11 0.00 -0.34 0.00 0.00 43.02 41.74 1j7m s PHE 21 CO 0.09 0.02 0.39 1.28 -1.46 0.00 0.00 175.22 175.54 1j7m n LEU 22 N 2.25 -0.86 0.00 6.12 7.99 -1.26 0.70 117.00 131.93 1j7m n LEU 22 Ca -0.16 -0.44 0.00 0.00 -0.01 0.00 0.00 56.01 55.40 1j7m n LEU 22 Cb 0.54 -1.63 0.00 0.00 -0.11 0.00 0.00 43.42 42.23 1j7m n LEU 22 CO 0.23 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.82 1j7m n GLY 23 N -0.94 1.46 3.51 -0.72 0.00 -1.26 -5.04 105.19 102.20 1j7m n GLY 23 Ca 0.04 0.00 -0.34 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 -3.14 4.68 -0.28 1.61 0.01 0.22 -5.08 114.94 112.95 1j7m s ASN 24 Ca 0.00 -0.12 -0.26 0.00 -0.71 0.00 0.00 52.86 51.78 1j7m s ASN 24 Cb 0.00 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 40.07 1j7m s ASN 24 CO 0.00 0.23 0.89 -0.54 -1.51 0.00 0.00 177.10 176.17 1j7m s LYS 25 N 0.01 4.09 -0.38 -0.60 1.02 -1.26 0.06 119.74 122.68 1j7m s LYS 25 Ca -0.00 0.90 -0.14 0.00 0.02 0.00 0.00 55.97 56.74 1j7m s LYS 25 Cb -0.13 -3.69 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1j7m s LYS 25 CO 0.03 -0.66 0.29 0.71 -0.92 0.00 0.00 175.35 174.80 1j7m s TYR 26 N 3.09 3.23 -0.52 3.18 2.02 0.24 -4.84 117.35 123.74 1j7m s TYR 26 Ca 0.37 -0.42 0.24 0.00 -0.37 0.00 0.00 57.07 56.89 1j7m s TYR 26 Cb -0.14 -2.58 0.41 0.00 -0.40 0.00 0.00 41.96 39.26 1j7m s TYR 26 CO 0.10 -0.51 1.51 0.93 -1.57 0.00 0.00 175.55 176.01 1j7m h GLU 27 N 8.58 0.00 0.00 -0.62 5.08 -1.90 0.91 114.58 126.63 1j7m h GLU 27 Ca -0.29 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.89 1j7m h GLU 27 Cb 1.13 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 1j7m h GLU 27 CO 0.70 0.00 -0.16 -1.13 -1.00 0.00 0.00 179.01 177.42 1j7m n SER 28 N -2.62 0.93 -4.61 1.42 3.41 -1.26 -4.82 113.62 106.08 1j7m n SER 28 Ca 0.04 -1.74 -0.29 0.00 -0.26 0.00 0.00 58.87 56.61 1j7m n SER 28 Cb 0.49 0.37 0.20 0.00 -0.26 0.00 0.00 64.21 65.01 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 -2.68 0.00 -0.06 0.00 -1.32 -0.39 -4.97 115.64 106.21 1j7m s THR 30 Ca 0.66 -1.77 0.09 0.00 -1.21 0.00 0.00 61.69 59.47 1j7m s THR 30 Cb -0.22 -2.42 0.14 0.00 -1.51 0.00 0.00 72.50 68.50 1j7m s THR 30 CO 0.60 0.00 1.05 -1.54 -2.21 0.00 0.00 174.62 172.52 1j7m n SER 31 N -0.50 1.25 -4.77 8.08 3.41 -1.26 -0.16 113.62 119.67 1j7m n SER 31 Ca 0.01 -2.49 -0.41 0.00 -0.26 0.00 0.00 58.87 55.72 1j7m n SER 31 Cb 0.64 -0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.46 3.62 0.00 7.33 0.00 -1.26 -1.27 121.76 128.71 1j7m s ALA 32 Ca 0.16 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1j7m s ALA 32 Cb 0.14 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1j7m s ALA 32 CO 0.01 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.22 1j7m n GLY 33 N 1.11 1.25 0.00 0.00 0.00 -1.26 -4.78 105.19 101.51 1j7m n GLY 33 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.75 1.61 1.74 -0.65 -4.99 116.66 109.61 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 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.45 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 -1.00 -5.35 -0.04 0.55 7.64 -0.40 -4.82 113.62 110.20 1j7m n SER 35 Ca 0.00 -0.12 -0.03 0.00 1.01 0.00 0.00 58.87 59.73 1j7m n SER 35 Cb 0.00 -4.41 -0.07 0.00 -1.01 0.00 0.00 64.21 58.72 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 -2.20 2.93 0.00 6.43 5.75 -1.26 -5.06 116.55 123.14 1j7m n ASP 36 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.63 1j7m n ASP 36 Cb 0.63 0.83 0.00 0.00 -1.03 0.00 0.00 41.12 41.55 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 2.40 0.14 3.75 6.12 0.00 -1.26 -5.13 105.19 111.20 1j7m n GLY 37 Ca -0.12 0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 4.30 0.17 1.61 3.01 -1.26 -5.01 119.74 122.56 1j7m s LYS 38 Ca 0.00 2.24 0.00 0.00 -1.01 0.00 0.00 55.97 57.21 1j7m s LYS 38 Cb 0.00 -3.12 -0.04 0.00 -1.01 0.00 0.00 37.83 33.66 1j7m s LYS 38 CO 0.00 -0.36 0.34 -1.64 0.51 0.00 0.00 175.35 174.20 1j7m s MET 39 N -0.46 3.49 0.10 1.68 -1.94 -1.26 -4.79 119.30 116.12 1j7m s MET 39 Ca 0.58 -0.43 0.02 0.00 -1.71 0.00 0.00 55.69 54.14 1j7m s MET 39 Cb -0.41 -2.90 -0.01 0.00 2.01 0.00 0.00 34.83 33.53 1j7m s MET 39 CO 0.43 0.46 0.06 -2.67 -0.01 0.00 0.00 175.02 173.29 1j7m n TRP 40 N -0.53 -0.12 -3.69 -0.03 4.27 0.77 -0.57 117.44 117.55 1j7m n TRP 40 Ca -0.05 -0.74 -0.14 0.00 -3.89 0.00 0.00 57.50 52.68 1j7m n TRP 40 Cb 0.54 0.05 -0.09 0.00 -1.36 0.00 0.00 31.31 30.45 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 -0.24 3.17 -0.57 0.00 0.00 -1.26 -0.58 121.76 122.29 1j7m s ALA 42 Ca -0.04 -0.12 0.15 0.00 0.00 0.00 0.00 51.96 51.95 1j7m s ALA 42 Cb -0.03 -2.96 0.54 0.00 0.00 0.00 0.00 23.12 20.66 1j7m s ALA 42 CO 0.03 -0.47 1.46 0.25 0.00 0.00 0.00 175.76 177.02 1j7m n THR 43 N -2.28 1.92 -4.04 0.00 -2.24 0.39 -0.65 114.28 107.38 1j7m n THR 43 Ca 0.05 -1.47 -0.12 0.00 -2.27 0.00 0.00 64.05 60.23 1j7m n THR 43 Cb 0.54 0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.67 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 -2.16 0.39 0.24 4.28 -4.23 -1.26 -4.59 115.64 108.32 1j7m s THR 44 Ca 0.41 -0.90 -0.05 0.00 -1.18 0.00 0.00 61.69 59.97 1j7m s THR 44 Cb 0.29 -0.47 0.21 0.00 1.34 0.00 0.00 72.50 73.88 1j7m s THR 44 CO 0.15 -0.34 1.83 0.00 -0.54 0.00 0.00 174.62 175.71 1j7m h ALA 45 N 4.77 1.18 -3.50 3.99 0.00 -1.88 -3.35 119.26 120.47 1j7m h ALA 45 Ca -0.33 0.02 -0.68 0.00 0.00 0.00 0.00 54.91 53.91 1j7m h ALA 45 Cb 1.20 -0.17 -0.36 0.00 0.00 0.00 0.00 17.79 18.47 1j7m h ALA 45 CO 0.42 0.17 -0.68 1.21 0.00 0.00 0.00 179.25 180.37 1j7m s ASN 46 N -5.67 4.90 0.22 0.00 3.84 -1.26 -1.83 114.94 115.14 1j7m s ASN 46 Ca -0.12 -1.72 0.10 0.00 0.21 0.00 0.00 52.86 51.33 1j7m s ASN 46 Cb 0.19 -1.70 0.14 0.00 -0.55 0.00 0.00 41.25 39.33 1j7m s ASN 46 CO 0.79 -0.36 1.48 0.22 -2.79 0.00 0.00 177.10 176.44 1j7m h TYR 47 N 7.88 0.00 -0.62 0.43 3.20 -1.39 -2.97 116.97 123.51 1j7m h TYR 47 Ca -0.14 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.80 1j7m h TYR 47 Cb 1.04 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 1j7m h TYR 47 CO 0.56 0.73 0.41 -0.44 -1.64 0.00 0.00 178.16 177.79 1j7m h ASP 48 N 0.00 0.49 0.00 -2.11 3.32 -1.74 0.10 116.42 116.48 1j7m h ASP 48 Ca -0.01 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.81 1j7m h ASP 48 Cb 1.36 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 1j7m h ASP 48 CO 0.10 0.31 -1.60 0.47 -1.72 0.00 0.00 179.24 176.79 1j7m n ASP 49 N -4.48 1.91 0.19 6.45 9.92 -1.23 -4.60 116.55 124.71 1j7m n ASP 49 Ca 0.09 0.40 0.12 0.00 -0.53 0.00 0.00 54.79 54.87 1j7m n ASP 49 Cb 0.28 -0.85 0.18 0.00 -0.64 0.00 0.00 41.12 40.09 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 -6.97 -2.24 3.32 -1.60 -3.48 116.42 104.45 1j7m h ASP 50 Ca -0.36 -0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.13 1j7m h ASP 50 Cb 1.25 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.71 1j7m h ASP 50 CO -0.22 0.00 -0.90 0.54 -1.72 0.00 0.00 179.24 176.94 1j7m n ARG 51 N -2.93 -0.54 -4.12 3.56 1.74 0.36 -4.96 116.66 109.77 1j7m n ARG 51 Ca 0.04 0.03 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 1j7m n ARG 51 Cb 0.52 -2.55 -0.16 0.00 -1.02 0.00 0.00 32.46 29.25 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 -7.15 3.10 0.37 5.56 1.02 -1.26 -5.06 119.74 116.31 1j7m s LYS 52 Ca 0.27 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.52 1j7m s LYS 52 Cb -0.15 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1j7m s LYS 52 CO 0.89 -0.19 0.16 1.67 -0.92 0.00 0.00 175.35 176.97 1j7m s TRP 53 N 1.29 1.75 -0.17 3.18 1.48 -1.26 -0.46 118.94 124.74 1j7m s TRP 53 Ca 0.04 -1.36 -0.29 0.00 -1.06 0.00 0.00 56.10 53.43 1j7m s TRP 53 Cb -0.14 -1.02 0.11 0.00 -1.16 0.00 0.00 33.47 31.26 1j7m s TRP 53 CO -0.09 -0.44 0.90 0.20 -4.06 0.00 0.00 176.95 173.45 1j7m s GLY 54 N -3.52 -0.35 0.76 3.67 0.00 0.26 -2.56 107.32 105.59 1j7m s GLY 54 Ca 0.29 2.00 -0.11 0.00 0.00 0.00 0.00 44.72 46.90 1j7m s GLY 54 CO 0.18 1.27 1.09 -1.36 0.00 0.00 0.00 173.10 174.27 1j7m s PHE 55 N -0.68 2.62 0.57 1.90 0.08 0.35 0.69 117.98 123.52 1j7m s PHE 55 Ca -0.03 1.55 0.02 0.00 0.12 0.00 0.00 56.93 58.59 1j7m s PHE 55 Cb -0.02 -3.04 0.06 0.00 -0.57 0.00 0.00 43.02 39.44 1j7m s PHE 55 CO 0.02 -1.75 0.80 0.00 -0.10 0.00 0.00 175.22 174.19 1j7m n PRO 57 N -2.38 0.20 -1.30 0.00 -0.04 -1.26 -4.77 135.00 125.44 1j7m n PRO 57 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1j7m n PRO 57 Cb 0.60 -1.36 -0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.86 -7.01 -0.01 3.54 2.03 -1.26 -4.81 116.55 108.17 1j7m n ASP 58 Ca 0.03 1.55 -0.18 0.00 0.52 0.00 0.00 54.79 56.72 1j7m n ASP 58 Cb 0.02 -4.04 -0.08 0.00 -0.72 0.00 0.00 41.12 36.29 1j7m n ASP 58 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1j7m h GLN 59 N 0.12 0.68 0.00 -0.67 7.50 -1.95 -3.52 115.11 117.27 1j7m h GLN 59 Ca -0.00 -0.60 0.00 0.00 0.50 0.00 0.00 58.65 58.55 1j7m h GLN 59 Cb 0.81 0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.48 1j7m h GLN 59 CO 0.00 1.21 0.00 0.41 -1.50 0.00 0.00 178.83 178.95