#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j7m h TRP 2 N 0.00 1.02 -3.82 1.43 5.08 -2.02 -3.42 115.95 114.21 1j7m h TRP 2 Ca 0.00 -0.53 -0.67 0.00 1.08 0.00 0.00 58.89 58.77 1j7m h TRP 2 Cb 0.00 -0.12 -0.36 0.00 -3.00 0.00 0.00 29.16 25.68 1j7m h TRP 2 CO 0.00 1.36 -0.76 -1.64 -1.28 0.00 0.00 178.44 176.13 1j7m s MET 3 N -3.40 2.24 0.39 0.12 -1.94 -1.26 -5.03 119.30 110.42 1j7m s MET 3 Ca -0.10 -1.37 0.08 0.00 -1.71 0.00 0.00 55.69 52.58 1j7m s MET 3 Cb 0.07 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.87 1j7m s MET 3 CO 0.91 -0.62 0.33 -1.12 -0.01 0.00 0.00 175.02 174.51 1j7m s SER 4 N 1.15 5.08 0.33 3.03 0.01 -1.26 -1.93 113.70 120.11 1j7m s SER 4 Ca -0.06 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 56.47 1j7m s SER 4 Cb -0.20 -0.70 -0.05 0.00 0.21 0.00 0.00 66.02 65.28 1j7m s SER 4 CO -0.04 -0.53 0.61 0.42 0.41 0.00 0.00 173.24 174.11 1j7m s THR 5 N -2.42 4.99 0.00 1.44 -4.23 -0.93 -3.83 115.64 110.66 1j7m s THR 5 Ca 0.45 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 1j7m s THR 5 Cb -0.04 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1j7m s THR 5 CO 0.27 -0.44 0.63 0.52 -0.54 0.00 0.00 174.62 175.06 1j7m n VAL 6 N -1.25 0.40 -1.70 2.29 0.31 -1.03 -4.45 118.33 112.91 1j7m n VAL 6 Ca -0.01 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1j7m n VAL 6 Cb 0.54 0.94 0.00 0.00 -0.91 0.00 0.00 33.84 34.41 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 -0.20 3.36 7.00 2.92 0.00 -1.26 -4.63 105.19 112.38 1j7m n GLY 7 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.55 1.41 -0.02 0.00 -1.26 -3.44 105.19 102.43 1j7m n GLY 8 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 1.90 0.90 0.03 1.61 2.04 -0.46 -4.85 115.26 116.43 1j7m n ASN 9 Ca 0.00 -2.00 -0.22 0.00 -0.44 0.00 0.00 54.58 51.92 1j7m n ASN 9 Cb 0.00 -0.29 -0.14 0.00 -2.53 0.00 0.00 39.78 36.82 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 0.91 0.49 -1.14 0.53 4.64 -1.71 -3.47 113.55 113.79 1j7m h SER 10 Ca -0.21 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.19 1j7m h SER 10 Cb 1.85 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1j7m h SER 10 CO 0.09 1.78 0.00 0.61 -0.87 0.00 0.00 176.83 178.44 1j7m n GLY 11 N 1.87 0.78 1.43 -0.77 0.00 -1.26 -4.25 105.19 102.99 1j7m n GLY 11 Ca -0.28 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.57 0.82 3.88 -0.02 0.00 -1.26 -5.06 105.19 102.97 1j7m n GLY 12 Ca 0.00 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.46 3.65 0.01 4.61 0.00 -1.26 -4.65 121.76 121.65 1j7m s ALA 13 Ca 0.00 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1j7m s ALA 13 Cb 0.00 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1j7m s ALA 13 CO 0.00 0.55 1.28 -2.14 0.00 0.00 0.00 175.76 175.45 1j7m s PRO 14 N -2.55 4.35 0.39 0.00 0.02 -1.26 -2.20 135.00 133.74 1j7m s PRO 14 Ca 0.43 1.82 -0.27 0.00 0.02 0.00 0.00 61.00 63.00 1j7m s PRO 14 Cb -0.12 -3.48 -0.09 0.00 0.02 0.00 0.00 34.50 30.82 1j7m s PRO 14 CO 0.21 -0.44 1.33 0.00 -0.33 0.00 0.00 177.00 177.78 1j7m s VAL 16 N -1.21 4.12 0.02 0.00 1.01 0.44 -4.94 120.40 119.84 1j7m s VAL 16 Ca 0.55 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1j7m s VAL 16 Cb -0.40 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1j7m s VAL 16 CO 0.52 0.51 -0.19 -0.36 0.00 0.00 0.00 175.10 175.58 1j7m s PHE 17 N 0.08 1.72 -0.03 5.22 0.08 -1.26 -3.00 117.98 120.78 1j7m s PHE 17 Ca 0.01 -0.35 -0.25 0.00 0.12 0.00 0.00 56.93 56.46 1j7m s PHE 17 Cb -0.13 -1.06 -0.04 0.00 -0.57 0.00 0.00 43.02 41.22 1j7m s PHE 17 CO 0.02 0.03 0.77 -1.25 -0.10 0.00 0.00 175.22 174.69 1j7m s PRO 18 N -0.84 4.47 -0.19 0.24 0.05 -1.26 -5.05 135.00 132.43 1j7m s PRO 18 Ca 0.07 1.02 -0.08 0.00 0.05 0.00 0.00 61.00 62.06 1j7m s PRO 18 Cb -0.08 -3.43 -0.04 0.00 0.05 0.00 0.00 34.50 30.99 1j7m s PRO 18 CO 0.01 0.08 0.08 -0.59 0.05 0.00 0.00 177.00 176.63 1j7m s PHE 19 N 0.68 3.30 -0.24 0.56 -0.12 0.12 -4.69 117.98 117.58 1j7m s PHE 19 Ca 0.41 0.15 -0.17 0.00 -0.05 0.00 0.00 56.93 57.26 1j7m s PHE 19 Cb -0.19 -2.10 -0.03 0.00 -0.63 0.00 0.00 43.02 40.07 1j7m s PHE 19 CO 0.21 0.20 0.47 0.99 -0.05 0.00 0.00 175.22 177.04 1j7m s THR 20 N 0.34 5.12 -0.14 -4.49 2.01 -0.73 0.12 115.64 117.86 1j7m s THR 20 Ca 0.04 0.80 -0.01 0.00 0.31 0.00 0.00 61.69 62.84 1j7m s THR 20 Cb -0.12 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1j7m s THR 20 CO -0.00 0.14 -0.11 0.12 -0.69 0.00 0.00 174.62 174.08 1j7m s PHE 21 N 1.99 2.86 -1.32 4.92 5.36 0.14 -1.47 117.98 130.46 1j7m s PHE 21 Ca 0.20 -0.59 -0.15 0.00 -0.96 0.00 0.00 56.93 55.43 1j7m s PHE 21 Cb -0.15 -1.88 0.14 0.00 -0.34 0.00 0.00 43.02 40.79 1j7m s PHE 21 CO 0.09 -0.19 0.47 1.28 -1.46 0.00 0.00 175.22 175.41 1j7m n LEU 22 N 3.59 -0.92 0.00 6.12 4.32 -1.26 -0.15 117.00 128.69 1j7m n LEU 22 Ca -0.18 -0.65 0.00 0.00 -0.02 0.00 0.00 56.01 55.16 1j7m n LEU 22 Cb 0.53 -1.65 0.00 0.00 -1.62 0.00 0.00 43.42 40.68 1j7m n LEU 22 CO 0.31 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 1j7m n GLY 23 N -1.00 1.92 3.48 -0.72 0.00 -1.26 -5.07 105.19 102.53 1j7m n GLY 23 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.51 4.70 -0.20 1.61 0.01 0.78 -5.07 114.94 115.26 1j7m s ASN 24 Ca 0.00 -0.15 -0.29 0.00 -0.71 0.00 0.00 52.86 51.71 1j7m s ASN 24 Cb 0.00 -1.76 -0.00 0.00 0.41 0.00 0.00 41.25 39.90 1j7m s ASN 24 CO 0.00 0.17 1.17 -0.54 -1.51 0.00 0.00 177.10 176.39 1j7m s LYS 25 N 0.35 4.22 -0.30 -0.60 1.02 -1.26 0.26 119.74 123.43 1j7m s LYS 25 Ca -0.05 1.50 -0.07 0.00 0.02 0.00 0.00 55.97 57.37 1j7m s LYS 25 Cb -0.14 -3.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.46 1j7m s LYS 25 CO 0.03 -0.71 0.08 0.71 -0.92 0.00 0.00 175.35 174.55 1j7m s TYR 26 N 3.44 3.16 -1.18 3.18 2.02 0.32 -4.90 117.35 123.39 1j7m s TYR 26 Ca 0.50 -1.06 0.25 0.00 -0.37 0.00 0.00 57.07 56.39 1j7m s TYR 26 Cb -0.18 -2.25 0.57 0.00 -0.40 0.00 0.00 41.96 39.69 1j7m s TYR 26 CO 0.12 -0.60 1.46 0.39 -1.57 0.00 0.00 175.55 175.34 1j7m n GLU 27 N 4.85 0.20 -3.71 -0.62 1.02 -1.26 0.15 120.64 121.27 1j7m n GLU 27 Ca -0.14 -0.12 -0.16 0.00 -0.02 0.00 0.00 57.16 56.72 1j7m n GLU 27 Cb 0.47 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 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 -1.30 0.06 -4.67 1.62 3.41 -1.26 -4.84 113.62 106.64 1j7m n SER 28 Ca 0.07 -2.63 -0.30 0.00 -0.26 0.00 0.00 58.87 55.75 1j7m n SER 28 Cb 0.34 1.08 0.16 0.00 -0.26 0.00 0.00 64.21 65.53 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 -2.82 0.00 -0.09 0.00 -1.32 -0.15 -4.96 115.64 106.31 1j7m s THR 30 Ca 0.65 -1.78 0.13 0.00 -1.21 0.00 0.00 61.69 59.48 1j7m s THR 30 Cb -0.20 -2.39 0.20 0.00 -1.51 0.00 0.00 72.50 68.60 1j7m s THR 30 CO 0.58 0.00 1.09 -1.54 -2.21 0.00 0.00 174.62 172.55 1j7m n SER 31 N -0.32 1.87 -4.76 8.08 3.41 -1.26 0.48 113.62 121.12 1j7m n SER 31 Ca 0.01 -2.73 -0.41 0.00 -0.26 0.00 0.00 58.87 55.47 1j7m n SER 31 Cb 0.64 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.12 3.67 0.00 7.33 0.00 -1.26 -1.93 121.76 127.45 1j7m s ALA 32 Ca 0.22 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1j7m s ALA 32 Cb 0.20 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1j7m s ALA 32 CO 0.02 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1j7m n GLY 33 N 1.68 0.94 2.69 0.00 0.00 -1.26 -4.95 105.19 104.29 1j7m n GLY 33 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 0.86 -0.13 1.61 1.74 -0.81 -4.99 116.66 112.94 1j7m n ARG 34 Ca 0.00 -2.34 -0.01 0.00 -0.77 0.00 0.00 57.85 54.73 1j7m n ARG 34 Cb 0.00 0.12 0.03 0.00 -1.02 0.00 0.00 32.46 31.60 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 -2.09 2.36 0.00 0.55 7.64 -1.26 -4.83 113.62 115.99 1j7m n SER 35 Ca 0.03 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1j7m n SER 35 Cb 0.43 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.19 0.00 0.00 6.43 5.75 -1.26 -4.69 116.55 122.98 1j7m n ASP 36 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 1j7m n ASP 36 Cb 0.51 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.32 -1.53 3.56 6.12 0.00 -1.26 -4.51 105.19 107.25 1j7m n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.11 2.91 0.55 1.61 3.01 -1.26 -4.97 119.74 120.47 1j7m s LYS 38 Ca 0.00 0.48 -0.17 0.00 -1.01 0.00 0.00 55.97 55.27 1j7m s LYS 38 Cb 0.00 -4.28 -0.06 0.00 -1.01 0.00 0.00 37.83 32.48 1j7m s LYS 38 CO 0.00 -2.41 1.04 -1.64 0.51 0.00 0.00 175.35 172.85 1j7m s MET 39 N 6.40 3.58 0.00 1.68 -1.94 -1.26 -4.80 119.30 122.96 1j7m s MET 39 Ca 0.59 1.19 0.00 0.00 -1.71 0.00 0.00 55.69 55.76 1j7m s MET 39 Cb -0.12 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.65 1j7m s MET 39 CO 0.21 -0.60 0.00 -2.67 -0.01 0.00 0.00 175.02 171.96 1j7m n TRP 40 N -1.66 0.00 -3.63 -0.03 4.27 0.18 0.07 117.44 116.65 1j7m n TRP 40 Ca 0.08 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.60 1j7m n TRP 40 Cb 0.53 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.41 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 2.58 -1.04 0.00 0.00 -1.26 -1.91 121.76 120.19 1j7m s ALA 42 Ca 0.02 0.39 0.17 0.00 0.00 0.00 0.00 51.96 52.54 1j7m s ALA 42 Cb -0.04 -3.26 0.58 0.00 0.00 0.00 0.00 23.12 20.40 1j7m s ALA 42 CO -0.05 -1.14 1.50 0.25 0.00 0.00 0.00 175.76 176.32 1j7m n THR 43 N -2.49 1.60 -4.08 0.00 -2.24 0.05 -0.42 114.28 106.71 1j7m n THR 43 Ca 0.09 -1.23 -0.14 0.00 -2.27 0.00 0.00 64.05 60.50 1j7m n THR 43 Cb 0.53 0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.68 0.35 0.28 4.28 -4.23 -1.26 -4.56 115.64 108.82 1j7m s THR 44 Ca 0.43 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1j7m s THR 44 Cb 0.27 -0.34 0.28 0.00 1.34 0.00 0.00 72.50 74.06 1j7m s THR 44 CO 0.21 -0.04 1.84 0.00 -0.54 0.00 0.00 174.62 176.10 1j7m h ALA 45 N 5.66 1.52 -3.68 3.99 0.00 -1.85 -3.34 119.26 121.56 1j7m h ALA 45 Ca -0.29 0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.97 1j7m h ALA 45 Cb 1.20 -0.22 -0.38 0.00 0.00 0.00 0.00 17.79 18.39 1j7m h ALA 45 CO 0.48 0.24 -0.73 1.21 0.00 0.00 0.00 179.25 180.46 1j7m s ASN 46 N -5.72 4.73 0.22 0.00 3.84 -1.26 -1.77 114.94 114.98 1j7m s ASN 46 Ca -0.12 -1.91 0.04 0.00 0.21 0.00 0.00 52.86 51.08 1j7m s ASN 46 Cb 0.22 -1.63 0.20 0.00 -0.55 0.00 0.00 41.25 39.49 1j7m s ASN 46 CO 0.81 -0.34 1.53 0.22 -2.79 0.00 0.00 177.10 176.53 1j7m h TYR 47 N 7.71 0.33 -0.75 0.43 5.03 -1.38 -3.12 116.97 125.23 1j7m h TYR 47 Ca -0.10 -0.13 0.22 0.00 2.58 0.00 0.00 58.73 61.30 1j7m h TYR 47 Cb 1.03 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.22 1j7m h TYR 47 CO 0.52 0.83 0.60 -0.44 -1.32 0.00 0.00 178.16 178.35 1j7m h ASP 48 N 0.18 0.00 0.00 -2.11 3.32 -1.84 0.37 116.42 116.34 1j7m h ASP 48 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1j7m h ASP 48 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1j7m h ASP 48 CO 0.10 0.00 -0.70 0.47 -1.72 0.00 0.00 179.24 177.39 1j7m n ASP 49 N -4.06 1.73 0.19 6.45 8.00 -1.19 -4.67 116.55 122.99 1j7m n ASP 49 Ca 0.15 0.46 0.12 0.00 0.71 0.00 0.00 54.79 56.23 1j7m n ASP 49 Cb 0.88 -0.78 0.15 0.00 -0.02 0.00 0.00 41.12 41.35 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 -0.92 0.00 -6.85 -2.24 3.32 -1.51 -3.48 116.42 104.74 1j7m h ASP 50 Ca 0.00 -0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1j7m h ASP 50 Cb 0.70 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.04 1j7m h ASP 50 CO 0.00 0.00 -0.89 0.54 -1.72 0.00 0.00 179.24 177.17 1j7m n ARG 51 N -2.94 -2.23 -3.78 3.56 1.74 0.13 -4.93 116.66 108.21 1j7m n ARG 51 Ca 0.03 0.27 -0.37 0.00 -0.77 0.00 0.00 57.85 57.02 1j7m n ARG 51 Cb 0.53 -4.55 -0.13 0.00 -1.02 0.00 0.00 32.46 27.29 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 -7.00 3.07 0.41 5.56 1.02 -1.26 -5.02 119.74 116.52 1j7m s LYS 52 Ca 0.42 -0.86 0.03 0.00 0.02 0.00 0.00 55.97 55.58 1j7m s LYS 52 Cb -0.23 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.72 1j7m s LYS 52 CO 0.95 -0.43 0.08 1.67 -0.92 0.00 0.00 175.35 176.70 1j7m s TRP 53 N 1.48 1.88 -0.17 3.18 1.48 -1.26 -0.77 118.94 124.76 1j7m s TRP 53 Ca 0.02 -1.11 -0.31 0.00 -1.06 0.00 0.00 56.10 53.64 1j7m s TRP 53 Cb -0.17 -1.32 0.14 0.00 -1.16 0.00 0.00 33.47 30.96 1j7m s TRP 53 CO 0.02 -0.07 1.12 0.20 -4.06 0.00 0.00 176.95 174.15 1j7m s GLY 54 N -3.65 -0.23 0.98 3.67 0.00 -0.80 -1.35 107.32 105.94 1j7m s GLY 54 Ca 0.23 1.91 -0.11 0.00 0.00 0.00 0.00 44.72 46.75 1j7m s GLY 54 CO 0.12 0.79 1.09 -1.36 0.00 0.00 0.00 173.10 173.74 1j7m s PHE 55 N -1.79 1.82 0.16 1.90 0.08 -1.22 0.58 117.98 119.50 1j7m s PHE 55 Ca 0.05 1.41 -0.15 0.00 0.12 0.00 0.00 56.93 58.36 1j7m s PHE 55 Cb -0.01 -3.19 -0.07 0.00 -0.57 0.00 0.00 43.02 39.18 1j7m s PHE 55 CO -0.04 -2.96 0.57 0.00 -0.10 0.00 0.00 175.22 172.70 1j7m n PRO 57 N 0.76 2.69 -1.44 0.00 -0.04 -1.25 -4.70 135.00 131.02 1j7m n PRO 57 Ca -0.05 0.00 -0.50 0.00 -0.04 0.00 0.00 63.50 62.92 1j7m n PRO 57 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 1j7m n PRO 57 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1j7m n ASP 58 N 0.00 1.92 0.00 3.54 9.92 -1.26 -4.81 116.55 125.86 1j7m n ASP 58 Ca 0.00 0.35 -0.14 0.00 -0.53 0.00 0.00 54.79 54.48 1j7m n ASP 58 Cb 0.00 -1.24 -0.14 0.00 -0.64 0.00 0.00 41.12 39.11 1j7m n ASP 58 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1j7m h GLN 59 N 12.59 0.13 0.00 -1.24 4.20 -2.02 -3.55 115.11 125.23 1j7m h GLN 59 Ca -0.24 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.25 1j7m h GLN 59 Cb 1.32 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.18 1j7m h GLN 59 CO 1.06 0.84 0.00 0.41 -0.67 0.00 0.00 178.83 180.47