#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 3.35 -0.19 1.43 0.51 -1.26 -5.03 118.94 117.75 1j7m s TRP 2 Ca 0.00 0.40 -0.29 0.00 -2.12 0.00 0.00 56.10 54.09 1j7m s TRP 2 Cb 0.00 -2.37 -0.04 0.00 -0.81 0.00 0.00 33.47 30.25 1j7m s TRP 2 CO 0.00 0.05 1.71 1.41 -0.51 0.00 0.00 176.95 179.60 1j7m s MET 3 N 1.12 3.79 0.00 4.98 -2.45 -1.26 -4.98 119.30 120.50 1j7m s MET 3 Ca 0.13 1.82 0.00 0.00 -1.25 0.00 0.00 55.69 56.38 1j7m s MET 3 Cb -0.14 -4.07 0.00 0.00 1.25 0.00 0.00 34.83 31.87 1j7m s MET 3 CO 0.06 -1.31 0.00 0.43 1.05 0.00 0.00 175.02 175.25 1j7m n SER 4 N 8.59 0.00 -4.61 1.11 7.64 -1.26 -4.65 113.62 120.43 1j7m n SER 4 Ca 0.20 -0.19 -0.29 0.00 1.01 0.00 0.00 58.87 59.60 1j7m n SER 4 Cb 0.45 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.01 1.98 0.00 0.44 -4.23 -1.00 -4.37 115.64 108.46 1j7m s THR 5 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1j7m s THR 5 Cb 0.00 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1j7m s THR 5 CO 0.00 0.00 0.00 0.55 -0.54 0.00 0.00 174.62 174.63 1j7m n VAL 6 N -4.33 0.01 -0.57 2.29 3.14 -1.10 -4.70 118.33 113.07 1j7m n VAL 6 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 1j7m n VAL 6 Cb 0.57 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.08 1j7m n VAL 6 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j7m n GLY 7 N 2.66 -0.37 7.00 7.55 0.00 -1.26 -4.73 105.19 116.04 1j7m n GLY 7 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 5.00 -0.78 0.02 -0.02 0.00 -1.25 -3.33 105.19 104.83 1j7m n GLY 8 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.49 3.76 -0.18 1.61 0.23 -0.89 -4.69 115.26 114.60 1j7m n ASN 9 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1j7m n ASN 9 Cb 0.00 0.63 0.09 0.00 -2.08 0.00 0.00 39.78 38.43 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 -0.04 0.00 0.53 0.02 -1.80 -3.47 113.55 108.80 1j7m h SER 10 Ca -0.13 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1j7m h SER 10 Cb 1.29 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1j7m h SER 10 CO 0.01 -0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1j7m n GLY 11 N -1.31 1.79 2.40 -3.77 0.00 -1.26 -4.34 105.19 98.70 1j7m n GLY 11 Ca 0.08 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 5.96 3.53 -0.02 0.00 -1.26 -4.21 105.19 109.19 1j7m n GLY 12 Ca 0.00 -2.51 -0.31 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.78 2.83 0.54 4.61 0.00 -1.26 -4.88 121.76 119.82 1j7m s ALA 13 Ca 0.56 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.24 1j7m s ALA 13 Cb 0.45 -0.94 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 1j7m s ALA 13 CO -0.11 0.60 1.01 -2.14 0.00 0.00 0.00 175.76 175.12 1j7m s PRO 14 N -1.50 3.78 0.30 0.00 0.02 -1.26 -2.39 135.00 133.95 1j7m s PRO 14 Ca 0.16 1.02 -0.28 0.00 0.02 0.00 0.00 61.00 61.93 1j7m s PRO 14 Cb -0.11 -2.11 -0.09 0.00 0.02 0.00 0.00 34.50 32.21 1j7m s PRO 14 CO 0.07 -0.42 1.02 0.00 -0.33 0.00 0.00 177.00 177.35 1j7m s VAL 16 N -1.33 4.12 0.06 0.00 1.01 0.80 -4.94 120.40 120.11 1j7m s VAL 16 Ca 0.47 -2.67 -0.11 0.00 0.00 0.00 0.00 61.98 59.67 1j7m s VAL 16 Cb -0.26 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 1j7m s VAL 16 CO 0.33 -0.88 0.39 -0.36 0.00 0.00 0.00 175.10 174.58 1j7m s PHE 17 N 0.22 3.61 -0.04 5.22 0.08 -1.26 -2.10 117.98 123.71 1j7m s PHE 17 Ca 0.15 0.81 -0.26 0.00 0.12 0.00 0.00 56.93 57.75 1j7m s PHE 17 Cb -0.19 -2.17 -0.03 0.00 -0.57 0.00 0.00 43.02 40.06 1j7m s PHE 17 CO -0.04 0.55 0.80 -1.25 -0.10 0.00 0.00 175.22 175.19 1j7m s PRO 18 N -1.72 4.48 0.00 0.24 0.05 -1.26 -5.00 135.00 131.79 1j7m s PRO 18 Ca 0.30 1.08 0.00 0.00 0.05 0.00 0.00 61.00 62.43 1j7m s PRO 18 Cb -0.14 -3.45 0.00 0.00 0.05 0.00 0.00 34.50 30.95 1j7m s PRO 18 CO 0.17 0.02 0.00 1.97 0.05 0.00 0.00 177.00 179.20 1j7m n PHE 19 N 3.84 -1.35 -3.67 0.56 -1.74 0.12 -4.64 117.46 110.58 1j7m n PHE 19 Ca 0.01 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.79 1j7m n PHE 19 Cb 0.51 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.40 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 0.30 -0.43 0.08 1.97 2.01 -1.16 0.05 115.64 118.46 1j7m s THR 20 Ca 0.00 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.22 1j7m s THR 20 Cb 0.00 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.99 1j7m s THR 20 CO 0.00 0.09 0.09 0.49 -0.69 0.00 0.00 174.62 174.60 1j7m n PHE 21 N 5.17 -2.27 0.00 4.92 3.72 0.12 -1.84 117.46 127.28 1j7m n PHE 21 Ca -0.10 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 1j7m n PHE 21 Cb 0.50 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1j7m n PHE 21 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1j7m n LEU 22 N 0.00 0.00 0.00 4.37 7.99 -1.26 -2.35 117.00 125.75 1j7m n LEU 22 Ca 0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 1j7m n LEU 22 Cb 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1j7m n LEU 22 CO 0.05 -0.23 0.00 0.61 -1.51 0.00 0.00 177.39 176.31 1j7m n GLY 23 N 2.11 1.03 2.87 -0.72 0.00 -1.26 -5.12 105.19 104.09 1j7m n GLY 23 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.52 0.23 -0.18 1.61 0.01 -0.99 -5.11 114.94 109.98 1j7m s ASN 24 Ca 0.00 -0.02 -0.29 0.00 -0.71 0.00 0.00 52.86 51.84 1j7m s ASN 24 Cb 0.00 -0.07 -0.00 0.00 0.41 0.00 0.00 41.25 41.59 1j7m s ASN 24 CO 0.00 -0.02 1.00 -1.59 -1.51 0.00 0.00 177.10 174.98 1j7m s LYS 25 N 0.33 4.32 -0.63 -0.60 0.00 -1.26 -0.70 119.74 121.19 1j7m s LYS 25 Ca -0.03 1.33 -0.18 0.00 0.00 0.00 0.00 55.97 57.09 1j7m s LYS 25 Cb -0.05 -3.60 0.12 0.00 0.00 0.00 0.00 37.83 34.30 1j7m s LYS 25 CO -0.01 -0.48 0.72 0.71 0.00 0.00 0.00 175.35 176.29 1j7m s TYR 26 N 2.66 3.10 -0.82 1.78 2.02 0.11 -4.83 117.35 121.36 1j7m s TYR 26 Ca 0.45 -1.13 0.26 0.00 -0.37 0.00 0.00 57.07 56.28 1j7m s TYR 26 Cb -0.16 -4.00 0.97 0.00 -0.40 0.00 0.00 41.96 38.37 1j7m s TYR 26 CO 0.11 -1.25 1.80 0.39 -1.57 0.00 0.00 175.55 175.03 1j7m n GLU 27 N 6.01 0.14 -4.29 -0.62 1.02 -1.26 0.10 120.64 121.75 1j7m n GLU 27 Ca -0.05 0.16 -0.21 0.00 -0.02 0.00 0.00 57.16 57.04 1j7m n GLU 27 Cb 0.43 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.93 -0.42 -4.66 1.62 3.41 -1.26 -4.73 113.62 105.65 1j7m n SER 28 Ca 0.06 -3.22 -0.30 0.00 -0.26 0.00 0.00 58.87 55.15 1j7m n SER 28 Cb 0.36 1.60 0.16 0.00 -0.26 0.00 0.00 64.21 66.07 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 -2.73 0.00 -0.06 0.00 -1.32 -0.22 -4.95 115.64 106.36 1j7m s THR 30 Ca 0.65 -1.80 0.09 0.00 -1.21 0.00 0.00 61.69 59.42 1j7m s THR 30 Cb -0.21 -2.41 0.14 0.00 -1.51 0.00 0.00 72.50 68.51 1j7m s THR 30 CO 0.59 0.00 1.04 -1.54 -2.21 0.00 0.00 174.62 172.50 1j7m n SER 31 N -0.34 1.89 -4.76 8.08 3.41 -1.26 0.12 113.62 120.77 1j7m n SER 31 Ca 0.01 -2.47 -0.37 0.00 -0.26 0.00 0.00 58.87 55.78 1j7m n SER 31 Cb 0.65 -0.22 0.03 0.00 -0.26 0.00 0.00 64.21 64.40 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 -1.77 2.73 0.00 7.33 0.00 -1.26 -2.24 121.76 126.55 1j7m s ALA 32 Ca 0.16 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.23 1j7m s ALA 32 Cb 0.14 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1j7m s ALA 32 CO 0.01 -1.13 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1j7m n GLY 33 N 0.59 1.43 0.64 0.00 0.00 -1.26 -4.74 105.19 101.85 1j7m n GLY 33 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 0.11 -1.12 1.61 1.74 -1.05 -5.01 116.66 110.94 1j7m n ARG 34 Ca 0.00 0.04 -0.04 0.00 -0.77 0.00 0.00 57.85 57.08 1j7m n ARG 34 Cb 0.00 -0.55 -0.02 0.00 -1.02 0.00 0.00 32.46 30.87 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 -4.43 0.00 0.55 7.64 -0.95 -4.91 113.62 108.28 1j7m n SER 35 Ca -0.03 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1j7m n SER 35 Cb 0.11 -2.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.01 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 -0.21 0.00 0.00 6.43 5.68 -1.26 -5.06 116.55 122.13 1j7m n ASP 36 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.25 1j7m n ASP 36 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 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 2.69 0.10 3.66 6.12 0.00 -1.26 -5.11 105.19 111.39 1j7m n GLY 37 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.80 4.20 0.09 1.61 3.01 -1.26 -5.00 119.74 121.59 1j7m s LYS 38 Ca 0.00 2.00 -0.15 0.00 -1.01 0.00 0.00 55.97 56.82 1j7m s LYS 38 Cb 0.00 -3.91 -0.06 0.00 -1.01 0.00 0.00 37.83 32.84 1j7m s LYS 38 CO 0.00 -0.80 0.50 -1.64 0.51 0.00 0.00 175.35 173.92 1j7m s MET 39 N 3.86 3.98 0.04 1.68 -1.94 -1.26 -4.77 119.30 120.89 1j7m s MET 39 Ca 0.67 0.47 0.00 0.00 -1.71 0.00 0.00 55.69 55.13 1j7m s MET 39 Cb -0.29 -3.07 -0.00 0.00 2.01 0.00 0.00 34.83 33.48 1j7m s MET 39 CO 0.24 0.57 0.00 -2.67 -0.01 0.00 0.00 175.02 173.16 1j7m n TRP 40 N 1.23 0.08 -3.66 -0.03 4.27 0.12 0.10 117.44 119.55 1j7m n TRP 40 Ca -0.09 -0.22 -0.11 0.00 -3.89 0.00 0.00 57.50 53.20 1j7m n TRP 40 Cb 0.52 -0.02 -0.08 0.00 -1.36 0.00 0.00 31.31 30.37 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 1.02 2.83 -1.21 0.00 0.00 -1.26 -1.30 121.76 121.83 1j7m s ALA 42 Ca -0.05 0.73 0.18 0.00 0.00 0.00 0.00 51.96 52.82 1j7m s ALA 42 Cb -0.05 -3.31 0.66 0.00 0.00 0.00 0.00 23.12 20.42 1j7m s ALA 42 CO -0.09 -0.51 1.57 0.25 0.00 0.00 0.00 175.76 176.97 1j7m n THR 43 N -0.99 1.64 -4.09 0.00 -2.24 0.32 -0.14 114.28 108.77 1j7m n THR 43 Ca 0.10 -1.19 -0.14 0.00 -2.27 0.00 0.00 64.05 60.55 1j7m n THR 43 Cb 0.51 0.21 -0.12 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 -1.67 0.55 0.36 4.28 -4.23 -1.25 -4.57 115.64 109.11 1j7m s THR 44 Ca 0.48 -0.95 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 1j7m s THR 44 Cb 0.30 -0.59 0.31 0.00 1.34 0.00 0.00 72.50 73.86 1j7m s THR 44 CO 0.25 -0.29 1.91 0.00 -0.54 0.00 0.00 174.62 175.95 1j7m h ALA 45 N 4.75 1.78 -3.30 3.99 0.00 -1.88 -3.36 119.26 121.24 1j7m h ALA 45 Ca -0.35 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.89 1j7m h ALA 45 Cb 1.20 -0.16 -0.35 0.00 0.00 0.00 0.00 17.79 18.48 1j7m h ALA 45 CO 0.42 0.04 -0.83 1.21 0.00 0.00 0.00 179.25 180.09 1j7m s ASN 46 N -5.99 3.59 -0.12 0.00 3.84 -1.26 -2.99 114.94 112.01 1j7m s ASN 46 Ca -0.10 -0.87 -0.15 0.00 0.21 0.00 0.00 52.86 51.96 1j7m s ASN 46 Cb 0.21 -1.52 -0.26 0.00 -0.55 0.00 0.00 41.25 39.13 1j7m s ASN 46 CO 0.78 -0.06 0.46 0.22 -2.79 0.00 0.00 177.10 175.71 1j7m h TYR 47 N 7.90 0.39 -1.15 0.43 3.20 -1.69 -3.24 116.97 122.80 1j7m h TYR 47 Ca -0.38 -0.28 0.39 0.00 3.14 0.00 0.00 58.73 61.60 1j7m h TYR 47 Cb 1.11 -0.02 -0.14 0.00 1.54 0.00 0.00 36.73 39.22 1j7m h TYR 47 CO 0.53 1.60 0.70 -0.44 -1.64 0.00 0.00 178.16 178.91 1j7m h ASP 48 N -0.32 0.35 0.00 -2.11 3.32 -1.73 0.45 116.42 116.38 1j7m h ASP 48 Ca -0.34 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1j7m h ASP 48 Cb 1.76 0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.45 1j7m h ASP 48 CO 0.03 -0.20 -0.12 0.47 -1.72 0.00 0.00 179.24 177.70 1j7m n ASP 49 N -4.90 0.39 0.26 6.45 8.00 -1.26 -4.56 116.55 120.93 1j7m n ASP 49 Ca 0.35 0.30 0.11 0.00 0.71 0.00 0.00 54.79 56.26 1j7m n ASP 49 Cb 1.24 -0.58 0.69 0.00 -0.02 0.00 0.00 41.12 42.46 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 -0.21 0.00 -6.74 -2.24 5.19 -1.57 -3.47 116.42 107.38 1j7m h ASP 50 Ca 0.00 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.86 1j7m h ASP 50 Cb 0.12 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.54 1j7m h ASP 50 CO 0.00 0.12 -0.94 0.54 -3.12 0.00 0.00 179.24 175.84 1j7m n ARG 51 N -3.83 -1.77 -4.01 3.56 1.74 0.16 -4.96 116.66 107.55 1j7m n ARG 51 Ca -0.02 0.25 -0.34 0.00 -0.77 0.00 0.00 57.85 56.97 1j7m n ARG 51 Cb 0.22 -3.84 -0.15 0.00 -1.02 0.00 0.00 32.46 27.68 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 -6.92 2.79 0.37 5.56 1.02 -1.26 -5.02 119.74 116.28 1j7m s LYS 52 Ca 0.13 -0.99 0.04 0.00 0.02 0.00 0.00 55.97 55.16 1j7m s LYS 52 Cb -0.06 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1j7m s LYS 52 CO 0.94 -0.38 0.11 1.67 -0.92 0.00 0.00 175.35 176.77 1j7m s TRP 53 N 1.29 1.82 -0.23 3.18 1.48 -1.26 -0.52 118.94 124.69 1j7m s TRP 53 Ca 0.00 -1.18 -0.26 0.00 -1.06 0.00 0.00 56.10 53.59 1j7m s TRP 53 Cb -0.16 -1.18 0.10 0.00 -1.16 0.00 0.00 33.47 31.07 1j7m s TRP 53 CO -0.06 -0.21 0.89 0.20 -4.06 0.00 0.00 176.95 173.71 1j7m s GLY 54 N -3.55 -0.33 0.57 3.67 0.00 -0.42 -2.10 107.32 105.16 1j7m s GLY 54 Ca 0.28 2.23 -0.21 0.00 0.00 0.00 0.00 44.72 47.03 1j7m s GLY 54 CO 0.15 1.59 1.34 -1.36 0.00 0.00 0.00 173.10 174.82 1j7m s PHE 55 N -0.08 2.23 0.25 1.90 0.08 -1.21 0.60 117.98 121.74 1j7m s PHE 55 Ca -0.00 1.40 -0.31 0.00 0.12 0.00 0.00 56.93 58.14 1j7m s PHE 55 Cb -0.04 -3.77 -0.12 0.00 -0.57 0.00 0.00 43.02 38.52 1j7m s PHE 55 CO -0.01 -2.90 1.55 0.00 -0.10 0.00 0.00 175.22 173.76 1j7m n PRO 57 N 2.51 3.48 -1.73 0.00 -0.04 -1.26 -4.76 135.00 133.20 1j7m n PRO 57 Ca 0.12 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.18 1j7m n PRO 57 Cb 0.34 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.32 5.11 -0.70 3.54 2.15 -1.26 -4.90 116.67 119.29 1j7m s ASP 58 Ca 0.00 1.23 -0.27 0.00 0.43 0.00 0.00 52.55 53.93 1j7m s ASP 58 Cb 0.00 -2.51 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1j7m s ASP 58 CO 0.00 -2.34 1.26 -1.10 -0.17 0.00 0.00 175.17 172.82 1j7m s GLN 59 N 7.07 3.27 0.00 4.34 -0.21 -1.26 -5.14 119.66 127.73 1j7m s GLN 59 Ca 0.90 -0.12 0.00 0.00 0.02 0.00 0.00 55.36 56.17 1j7m s GLN 59 Cb -0.22 -4.14 0.00 0.00 1.00 0.00 0.00 33.01 29.65 1j7m s GLN 59 CO 0.29 -2.04 0.00 0.41 -2.12 0.00 0.00 175.29 171.83