#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 0.55 -1.19 7.33 2.14 -1.26 -4.94 117.44 120.07 1j7m n TRP 2 Ca 0.00 0.16 -0.29 0.00 2.07 0.00 0.00 57.50 59.44 1j7m n TRP 2 Cb 0.00 -0.65 0.17 0.00 -0.81 0.00 0.00 31.31 30.02 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1j7m s MET 3 N -3.21 0.65 0.39 -2.67 0.23 -1.26 -5.05 119.30 108.39 1j7m s MET 3 Ca 0.04 0.59 0.03 0.00 -1.03 0.00 0.00 55.69 55.32 1j7m s MET 3 Cb 0.13 -1.76 0.07 0.00 -1.53 0.00 0.00 34.83 31.74 1j7m s MET 3 CO 0.75 -2.60 0.53 0.43 -2.03 0.00 0.00 175.02 172.11 1j7m n SER 4 N -4.09 1.00 -4.43 -1.18 7.64 -1.26 -4.78 113.62 106.52 1j7m n SER 4 Ca 0.06 -1.78 -0.26 0.00 1.01 0.00 0.00 58.87 57.90 1j7m n SER 4 Cb 0.57 -0.32 0.14 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.43 2.07 0.09 0.44 -4.23 -1.07 -4.68 115.64 106.83 1j7m s THR 5 Ca 0.37 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1j7m s THR 5 Cb -0.02 -2.74 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 1j7m s THR 5 CO 0.24 0.00 0.08 0.54 -0.54 0.00 0.00 174.62 174.94 1j7m s VAL 6 N -3.49 0.16 0.00 2.29 0.11 -1.24 -4.59 120.40 113.64 1j7m s VAL 6 Ca 0.70 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 1j7m s VAL 6 Cb -0.05 -1.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.17 1j7m s VAL 6 CO 0.48 -0.71 0.00 0.61 -3.33 0.00 0.00 175.10 172.15 1j7m n GLY 7 N -0.01 0.67 7.00 6.54 0.00 -1.26 0.22 105.19 118.34 1j7m n GLY 7 Ca -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 0.90 0.00 -0.02 0.00 -1.26 -4.26 105.19 100.55 1j7m n GLY 8 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.47 3.66 -0.27 1.61 0.23 -0.48 -4.76 115.26 111.78 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 0.39 0.13 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.66 0.00 0.53 0.02 -1.72 -3.47 113.55 109.56 1j7m h SER 10 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1j7m h SER 10 Cb 0.69 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.13 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 -1.31 1.32 2.58 -3.77 0.00 -1.26 -4.38 105.19 98.37 1j7m n GLY 11 Ca 0.11 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 5.89 3.64 -0.02 0.00 -1.26 -3.77 105.19 109.66 1j7m n GLY 12 Ca 0.00 -2.68 -0.28 0.00 0.00 0.00 0.00 46.02 43.06 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 -3.70 3.13 0.37 4.61 0.00 -1.26 -4.74 121.76 120.18 1j7m s ALA 13 Ca 0.50 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.92 1j7m s ALA 13 Cb 0.41 -0.98 -0.10 0.00 0.00 0.00 0.00 23.12 22.45 1j7m s ALA 13 CO -0.24 0.56 0.93 -1.25 0.00 0.00 0.00 175.76 175.76 1j7m s PRO 14 N -2.65 4.38 -0.31 0.00 0.04 -1.26 -2.60 135.00 132.60 1j7m s PRO 14 Ca 0.25 1.19 -0.29 0.00 0.04 0.00 0.00 61.00 62.20 1j7m s PRO 14 Cb -0.10 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1j7m s PRO 14 CO 0.17 0.13 1.18 0.00 0.04 0.00 0.00 177.00 178.52 1j7m s VAL 16 N 3.99 4.13 -0.08 0.00 1.01 -0.34 -4.96 120.40 124.15 1j7m s VAL 16 Ca 0.50 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.60 1j7m s VAL 16 Cb -0.14 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.58 1j7m s VAL 16 CO 0.19 -1.11 -0.05 -0.36 0.00 0.00 0.00 175.10 173.77 1j7m s PHE 17 N 4.65 2.98 0.12 5.22 0.08 -1.26 -2.49 117.98 127.29 1j7m s PHE 17 Ca 0.47 -0.00 -0.24 0.00 0.12 0.00 0.00 56.93 57.28 1j7m s PHE 17 Cb -0.07 -1.76 -0.07 0.00 -0.57 0.00 0.00 43.02 40.55 1j7m s PHE 17 CO 0.30 0.30 0.73 -1.25 -0.10 0.00 0.00 175.22 175.20 1j7m s PRO 18 N -0.65 4.48 -0.15 0.24 0.04 -1.26 -5.05 135.00 132.64 1j7m s PRO 18 Ca 0.10 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 62.13 1j7m s PRO 18 Cb -0.12 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1j7m s PRO 18 CO 0.02 0.51 0.03 -0.59 0.04 0.00 0.00 177.00 177.01 1j7m s PHE 19 N -0.86 3.19 -0.16 0.56 -0.12 0.10 -4.75 117.98 115.95 1j7m s PHE 19 Ca 0.35 0.03 -0.16 0.00 -0.05 0.00 0.00 56.93 57.10 1j7m s PHE 19 Cb -0.22 -1.98 -0.04 0.00 -0.63 0.00 0.00 43.02 40.15 1j7m s PHE 19 CO 0.24 0.21 0.40 0.99 -0.05 0.00 0.00 175.22 177.01 1j7m s THR 20 N 0.02 5.22 0.01 -4.49 2.01 -0.89 0.91 115.64 118.44 1j7m s THR 20 Ca 0.04 0.77 0.04 0.00 0.31 0.00 0.00 61.69 62.85 1j7m s THR 20 Cb -0.13 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 1j7m s THR 20 CO 0.01 0.32 -0.13 0.12 -0.69 0.00 0.00 174.62 174.25 1j7m s PHE 21 N 0.82 1.12 -1.66 4.92 5.36 0.48 -2.26 117.98 126.76 1j7m s PHE 21 Ca 0.21 -0.27 -0.21 0.00 -0.96 0.00 0.00 56.93 55.70 1j7m s PHE 21 Cb -0.14 -0.69 0.21 0.00 -0.34 0.00 0.00 43.02 42.05 1j7m s PHE 21 CO 0.08 0.00 0.53 1.28 -1.46 0.00 0.00 175.22 175.64 1j7m n LEU 22 N 2.38 -0.73 0.00 6.12 7.99 -1.26 0.89 117.00 132.39 1j7m n LEU 22 Ca -0.16 -1.07 0.00 0.00 -0.01 0.00 0.00 56.01 54.77 1j7m n LEU 22 Cb 0.55 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 1j7m n LEU 22 CO 0.24 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 176.81 1j7m n GLY 23 N -0.99 1.43 3.53 -0.72 0.00 -1.26 -5.04 105.19 102.15 1j7m n GLY 23 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.15 4.57 -0.23 1.61 0.01 0.26 -5.08 114.94 112.92 1j7m s ASN 24 Ca 0.00 -0.09 -0.27 0.00 -0.71 0.00 0.00 52.86 51.78 1j7m s ASN 24 Cb 0.00 -1.35 0.00 0.00 0.41 0.00 0.00 41.25 40.31 1j7m s ASN 24 CO 0.00 0.29 0.95 -0.54 -1.51 0.00 0.00 177.10 176.30 1j7m s LYS 25 N -0.39 4.23 -0.38 -0.60 1.02 -1.26 -0.39 119.74 121.96 1j7m s LYS 25 Ca 0.05 1.19 -0.12 0.00 0.02 0.00 0.00 55.97 57.11 1j7m s LYS 25 Cb -0.12 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1j7m s LYS 25 CO 0.02 -0.58 0.24 0.71 -0.92 0.00 0.00 175.35 174.82 1j7m s TYR 26 N 3.05 3.24 -1.81 3.18 2.02 0.26 -4.90 117.35 122.39 1j7m s TYR 26 Ca 0.40 -0.83 0.26 0.00 -0.37 0.00 0.00 57.07 56.54 1j7m s TYR 26 Cb -0.15 -2.49 0.67 0.00 -0.40 0.00 0.00 41.96 39.59 1j7m s TYR 26 CO 0.07 -0.62 1.51 0.39 -1.57 0.00 0.00 175.55 175.32 1j7m n GLU 27 N 5.05 0.91 -2.28 -0.62 1.02 -1.26 0.01 120.64 123.47 1j7m n GLU 27 Ca -0.12 -0.57 -0.03 0.00 -0.02 0.00 0.00 57.16 56.43 1j7m n GLU 27 Cb 0.46 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 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 -0.55 -0.12 -4.71 1.62 3.41 -1.26 -4.86 113.62 107.16 1j7m n SER 28 Ca 0.12 -1.32 -0.29 0.00 -0.26 0.00 0.00 58.87 57.12 1j7m n SER 28 Cb 0.36 0.26 0.15 0.00 -0.26 0.00 0.00 64.21 64.72 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 -2.94 0.00 -0.06 0.00 -1.32 0.21 -4.94 115.64 106.59 1j7m s THR 30 Ca 0.64 -1.68 0.10 0.00 -1.21 0.00 0.00 61.69 59.53 1j7m s THR 30 Cb -0.18 -2.52 0.16 0.00 -1.51 0.00 0.00 72.50 68.45 1j7m s THR 30 CO 0.57 0.00 1.08 -1.54 -2.21 0.00 0.00 174.62 172.52 1j7m n SER 31 N -1.07 1.09 -4.77 8.08 3.41 -1.26 0.57 113.62 119.68 1j7m n SER 31 Ca 0.02 -2.53 -0.39 0.00 -0.26 0.00 0.00 58.87 55.70 1j7m n SER 31 Cb 0.62 -0.31 -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 -1.32 3.23 0.00 7.33 0.00 -1.26 -2.89 121.76 126.84 1j7m s ALA 32 Ca 0.17 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1j7m s ALA 32 Cb 0.15 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1j7m s ALA 32 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.40 1j7m n GLY 33 N 0.67 0.50 3.49 0.00 0.00 -1.26 -4.97 105.19 103.62 1j7m n GLY 33 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1j7m n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j7m s ARG 34 N -0.53 3.74 0.00 1.61 0.52 -1.14 -4.94 118.95 118.21 1j7m s ARG 34 Ca 0.00 -0.44 0.28 0.00 -0.52 0.00 0.00 55.73 55.06 1j7m s ARG 34 Cb 0.00 -3.35 1.18 0.00 0.52 0.00 0.00 34.95 33.30 1j7m s ARG 34 CO 0.00 -0.12 1.83 0.43 0.02 0.00 0.00 175.30 177.46 1j7m n SER 35 N 4.73 0.59 0.00 0.23 7.64 -1.26 -4.44 113.62 121.11 1j7m n SER 35 Ca -0.16 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1j7m n SER 35 Cb 0.52 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.85 0.00 0.00 6.43 5.75 -1.26 -5.07 116.55 121.54 1j7m n ASP 36 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.93 1j7m n ASP 36 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 2.73 0.00 3.73 6.12 0.00 -1.26 -5.14 105.19 111.38 1j7m n GLY 37 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.24 0.22 1.61 -0.14 -1.26 -4.97 119.74 119.44 1j7m s LYS 38 Ca 0.00 2.32 -0.20 0.00 -1.36 0.00 0.00 55.97 56.73 1j7m s LYS 38 Cb 0.00 -3.14 -0.08 0.00 -1.68 0.00 0.00 37.83 32.93 1j7m s LYS 38 CO 0.00 -0.52 0.73 -1.64 -0.76 0.00 0.00 175.35 173.16 1j7m s MET 39 N 0.50 4.28 0.00 1.68 -1.94 -1.26 -4.73 119.30 117.83 1j7m s MET 39 Ca 0.65 0.90 0.00 0.00 -1.71 0.00 0.00 55.69 55.53 1j7m s MET 39 Cb -0.43 -2.91 0.00 0.00 2.01 0.00 0.00 34.83 33.50 1j7m s MET 39 CO 0.36 0.41 0.00 -2.67 -0.01 0.00 0.00 175.02 173.11 1j7m n TRP 40 N 0.80 0.00 -3.71 -0.03 4.27 0.19 -0.46 117.44 118.51 1j7m n TRP 40 Ca -0.03 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.45 1j7m n TRP 40 Cb 0.51 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.36 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 0.37 3.10 -0.63 0.00 0.00 -1.26 -1.27 121.76 122.07 1j7m s ALA 42 Ca -0.01 0.56 0.16 0.00 0.00 0.00 0.00 51.96 52.67 1j7m s ALA 42 Cb -0.04 -3.21 0.76 0.00 0.00 0.00 0.00 23.12 20.63 1j7m s ALA 42 CO -0.01 -0.01 1.68 0.25 0.00 0.00 0.00 175.76 177.67 1j7m n THR 43 N -0.07 2.33 -4.08 0.00 -2.24 -0.10 -1.20 114.28 108.93 1j7m n THR 43 Ca 0.05 -1.35 -0.11 0.00 -2.27 0.00 0.00 64.05 60.37 1j7m n THR 43 Cb 0.51 -0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.36 0.48 0.26 4.28 -4.23 -1.26 -4.51 115.64 108.30 1j7m s THR 44 Ca 0.52 -1.30 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1j7m s THR 44 Cb 0.37 -0.86 0.25 0.00 1.34 0.00 0.00 72.50 73.61 1j7m s THR 44 CO 0.19 -0.56 1.93 0.00 -0.54 0.00 0.00 174.62 175.65 1j7m h ALA 45 N 4.08 1.30 -3.74 3.99 0.00 -1.88 -3.37 119.26 119.63 1j7m h ALA 45 Ca -0.35 -0.07 -0.65 0.00 0.00 0.00 0.00 54.91 53.84 1j7m h ALA 45 Cb 1.19 -0.39 -0.38 0.00 0.00 0.00 0.00 17.79 18.21 1j7m h ALA 45 CO 0.48 0.64 -0.78 1.21 0.00 0.00 0.00 179.25 180.80 1j7m s ASN 46 N -6.17 4.31 0.22 0.00 3.84 -1.26 -2.09 114.94 113.79 1j7m s ASN 46 Ca -0.13 -1.48 0.08 0.00 0.21 0.00 0.00 52.86 51.55 1j7m s ASN 46 Cb 0.18 -1.42 0.16 0.00 -0.55 0.00 0.00 41.25 39.62 1j7m s ASN 46 CO 0.81 -0.25 1.50 0.22 -2.79 0.00 0.00 177.10 176.60 1j7m h TYR 47 N 7.81 0.05 -0.85 0.43 3.20 -1.62 -3.20 116.97 122.78 1j7m h TYR 47 Ca -0.16 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.81 1j7m h TYR 47 Cb 1.04 -0.01 -0.06 0.00 1.54 0.00 0.00 36.73 39.25 1j7m h TYR 47 CO 0.56 0.76 0.55 -0.44 -1.64 0.00 0.00 178.16 177.95 1j7m h ASP 48 N 0.02 0.68 0.00 -2.11 3.32 -1.93 0.12 116.42 116.51 1j7m h ASP 48 Ca -0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1j7m h ASP 48 Cb 1.31 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1j7m h ASP 48 CO 0.10 0.38 0.00 0.47 -1.72 0.00 0.00 179.24 178.46 1j7m n ASP 49 N -4.53 0.00 0.26 6.45 9.92 -1.22 -4.54 116.55 122.89 1j7m n ASP 49 Ca 0.15 0.29 0.17 0.00 -0.53 0.00 0.00 54.79 54.87 1j7m n ASP 49 Cb 0.39 -0.39 0.64 0.00 -0.64 0.00 0.00 41.12 41.12 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 0.00 0.00 -6.96 -2.24 3.32 -1.66 -3.47 116.42 105.41 1j7m h ASP 50 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1j7m h ASP 50 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.43 1j7m h ASP 50 CO 0.00 0.00 -0.98 0.54 -1.72 0.00 0.00 179.24 177.08 1j7m n ARG 51 N -3.01 -0.90 -3.91 3.56 1.74 0.41 -4.94 116.66 109.60 1j7m n ARG 51 Ca 0.01 0.12 -0.35 0.00 -0.77 0.00 0.00 57.85 56.86 1j7m n ARG 51 Cb 0.31 -3.30 -0.14 0.00 -1.02 0.00 0.00 32.46 28.31 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 -7.30 3.19 0.29 5.56 1.02 -1.26 -5.06 119.74 116.18 1j7m s LYS 52 Ca 0.19 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.46 1j7m s LYS 52 Cb -0.10 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1j7m s LYS 52 CO 0.98 -0.27 0.10 1.67 -0.92 0.00 0.00 175.35 176.90 1j7m s TRP 53 N 1.43 1.65 -0.23 3.18 1.48 -1.26 -0.93 118.94 124.27 1j7m s TRP 53 Ca 0.04 -1.17 -0.26 0.00 -1.06 0.00 0.00 56.10 53.65 1j7m s TRP 53 Cb -0.15 -0.99 0.08 0.00 -1.16 0.00 0.00 33.47 31.25 1j7m s TRP 53 CO -0.04 -0.29 0.76 0.20 -4.06 0.00 0.00 176.95 173.52 1j7m s GLY 54 N -3.38 -0.50 0.91 3.67 0.00 -0.40 -1.38 107.32 106.26 1j7m s GLY 54 Ca 0.36 1.98 -0.12 0.00 0.00 0.00 0.00 44.72 46.94 1j7m s GLY 54 CO 0.15 1.60 0.80 0.69 0.00 0.00 0.00 173.10 176.33 1j7m n PHE 55 N 2.27 -0.21 -1.77 1.90 3.72 0.58 0.11 117.46 124.06 1j7m n PHE 55 Ca -0.15 0.32 -0.41 0.00 -0.05 0.00 0.00 57.45 57.17 1j7m n PHE 55 Cb 0.56 -1.91 -0.00 0.00 -0.94 0.00 0.00 39.48 37.18 1j7m n PHE 55 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j7m n PRO 57 N 0.52 0.32 -3.59 0.00 -0.04 -1.26 -3.97 135.00 126.98 1j7m n PRO 57 Ca 0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 1j7m n PRO 57 Cb 0.39 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.01 3.57 0.35 3.54 2.15 -1.26 -5.04 116.67 117.97 1j7m s ASP 58 Ca 0.15 -1.66 0.05 0.00 0.43 0.00 0.00 52.55 51.52 1j7m s ASP 58 Cb 0.07 -0.55 0.05 0.00 -0.30 0.00 0.00 42.92 42.19 1j7m s ASP 58 CO 0.12 -0.39 0.43 0.00 -0.17 0.00 0.00 175.17 175.15 1j7m n GLN 59 N 4.77 0.82 0.00 4.34 1.13 -1.25 -5.05 117.38 122.14 1j7m n GLN 59 Ca -0.00 -1.94 0.00 0.00 -1.94 0.00 0.00 57.00 53.12 1j7m n GLN 59 Cb 0.40 -0.06 0.00 0.00 0.11 0.00 0.00 30.24 30.70 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03