#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 0.06 -0.19 0.66 -2.14 -1.26 -5.15 118.94 110.92 1j7m s TRP 2 Ca 0.00 -0.55 -0.08 0.00 2.66 0.00 0.00 56.10 58.12 1j7m s TRP 2 Cb 0.00 0.75 -0.04 0.00 -3.10 0.00 0.00 33.47 31.07 1j7m s TRP 2 CO 0.00 -1.15 0.08 -1.64 -2.66 0.00 0.00 176.95 171.58 1j7m s MET 3 N -2.37 4.03 0.65 3.25 -1.94 -1.26 -5.08 119.30 116.59 1j7m s MET 3 Ca 0.18 -0.31 -0.11 0.00 -1.71 0.00 0.00 55.69 53.75 1j7m s MET 3 Cb -0.03 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.52 1j7m s MET 3 CO 0.07 0.27 1.04 -1.12 -0.01 0.00 0.00 175.02 175.28 1j7m s SER 4 N 0.39 5.82 0.32 3.03 0.01 -1.26 -4.16 113.70 117.84 1j7m s SER 4 Ca 0.04 1.21 0.07 0.00 1.31 0.00 0.00 55.95 58.58 1j7m s SER 4 Cb -0.12 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 1j7m s SER 4 CO -0.00 -1.09 0.41 0.42 0.41 0.00 0.00 173.24 173.38 1j7m s THR 5 N -3.23 4.13 0.00 1.44 -4.23 -1.08 -4.19 115.64 108.47 1j7m s THR 5 Ca 0.56 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.98 1j7m s THR 5 Cb -0.11 -3.42 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1j7m s THR 5 CO 0.52 -0.19 0.00 0.52 -0.54 0.00 0.00 174.62 174.93 1j7m n VAL 6 N -1.54 0.00 0.00 2.29 0.31 -1.06 -4.66 118.33 113.68 1j7m n VAL 6 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1j7m n VAL 6 Cb 0.58 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 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 1.85 4.92 2.92 0.00 -1.26 0.12 105.19 118.74 1j7m n GLY 7 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.92 1.22 -0.02 0.00 -1.26 -4.54 105.19 101.51 1j7m n GLY 8 Ca 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.25 -0.66 -0.12 1.61 2.04 -0.69 -4.92 115.26 111.27 1j7m n ASN 9 Ca 0.00 -2.02 -0.23 0.00 -0.44 0.00 0.00 54.58 51.90 1j7m n ASN 9 Cb 0.00 0.22 -0.10 0.00 -2.53 0.00 0.00 39.78 37.37 1j7m n ASN 9 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 1j7m n SER 10 N -0.03 1.94 0.00 0.53 7.64 -1.22 -4.95 113.62 117.53 1j7m n SER 10 Ca -0.21 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1j7m n SER 10 Cb 0.79 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1j7m n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j7m n GLY 11 N 1.81 0.99 1.64 0.23 0.00 -1.26 -4.39 105.19 104.21 1j7m n GLY 11 Ca -0.46 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.59 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 5.17 3.87 -0.02 0.00 -1.26 -3.73 105.19 109.22 1j7m n GLY 12 Ca 0.00 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.39 3.70 0.53 4.61 0.00 -1.26 -4.75 121.76 121.20 1j7m s ALA 13 Ca 0.51 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 52.04 1j7m s ALA 13 Cb 0.44 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 1j7m s ALA 13 CO 0.02 0.56 0.87 -1.25 0.00 0.00 0.00 175.76 175.95 1j7m s PRO 14 N -2.05 3.55 -0.08 0.00 0.04 -1.26 -2.64 135.00 132.56 1j7m s PRO 14 Ca 0.35 0.37 -0.20 0.00 0.04 0.00 0.00 61.00 61.56 1j7m s PRO 14 Cb -0.14 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1j7m s PRO 14 CO 0.19 -0.33 0.57 0.00 0.04 0.00 0.00 177.00 177.47 1j7m s VAL 16 N 0.54 4.99 -0.05 0.00 1.01 -0.24 -4.94 120.40 121.71 1j7m s VAL 16 Ca 0.31 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.47 1j7m s VAL 16 Cb -0.17 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1j7m s VAL 16 CO 0.14 0.04 -0.18 -0.36 0.00 0.00 0.00 175.10 174.74 1j7m s PHE 17 N 2.40 2.59 0.06 5.22 0.08 -1.26 -2.52 117.98 124.55 1j7m s PHE 17 Ca 0.26 -0.30 -0.22 0.00 0.12 0.00 0.00 56.93 56.79 1j7m s PHE 17 Cb -0.16 -1.61 -0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1j7m s PHE 17 CO 0.09 0.07 0.67 -1.25 -0.10 0.00 0.00 175.22 174.69 1j7m s PRO 18 N -0.59 4.38 -0.20 0.24 0.04 -1.26 -5.06 135.00 132.55 1j7m s PRO 18 Ca 0.09 0.89 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 1j7m s PRO 18 Cb -0.11 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1j7m s PRO 18 CO 0.01 0.44 0.11 -0.59 0.04 0.00 0.00 177.00 177.01 1j7m s PHE 19 N -0.52 3.34 -0.21 0.56 -0.71 0.14 -4.71 117.98 115.87 1j7m s PHE 19 Ca 0.33 0.22 -0.18 0.00 -1.04 0.00 0.00 56.93 56.27 1j7m s PHE 19 Cb -0.20 -2.15 -0.03 0.00 -1.21 0.00 0.00 43.02 39.42 1j7m s PHE 19 CO 0.21 0.20 0.48 0.99 -1.34 0.00 0.00 175.22 175.76 1j7m s THR 20 N 0.49 5.13 0.05 -4.49 2.01 -0.85 0.46 115.64 118.44 1j7m s THR 20 Ca 0.06 0.87 0.07 0.00 0.31 0.00 0.00 61.69 63.00 1j7m s THR 20 Cb -0.12 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.56 1j7m s THR 20 CO -0.00 0.18 -0.19 0.12 -0.69 0.00 0.00 174.62 174.04 1j7m s PHE 21 N 1.66 1.62 -1.20 4.92 5.36 0.39 -2.26 117.98 128.47 1j7m s PHE 21 Ca 0.22 -0.37 -0.15 0.00 -0.96 0.00 0.00 56.93 55.67 1j7m s PHE 21 Cb -0.15 -0.96 0.15 0.00 -0.34 0.00 0.00 43.02 41.72 1j7m s PHE 21 CO 0.09 0.08 0.38 1.28 -1.46 0.00 0.00 175.22 175.59 1j7m n LEU 22 N 1.82 -0.53 0.00 6.12 7.99 -1.26 0.91 117.00 132.05 1j7m n LEU 22 Ca -0.18 -0.63 0.00 0.00 -0.01 0.00 0.00 56.01 55.19 1j7m n LEU 22 Cb 0.54 -1.35 0.00 0.00 -0.11 0.00 0.00 43.42 42.50 1j7m n LEU 22 CO 0.23 0.06 0.00 0.61 -1.51 0.00 0.00 177.39 176.78 1j7m n GLY 23 N -0.85 1.11 3.51 -0.72 0.00 -1.26 -5.04 105.19 101.93 1j7m n GLY 23 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.08 4.47 -0.28 1.61 0.01 0.26 -5.08 114.94 112.85 1j7m s ASN 24 Ca 0.00 -0.13 -0.28 0.00 -0.71 0.00 0.00 52.86 51.74 1j7m s ASN 24 Cb 0.00 -1.35 0.01 0.00 0.41 0.00 0.00 41.25 40.32 1j7m s ASN 24 CO 0.00 0.28 1.00 -0.54 -1.51 0.00 0.00 177.10 176.33 1j7m s LYS 25 N -0.31 4.13 -0.36 -0.60 1.02 -1.26 -0.47 119.74 121.89 1j7m s LYS 25 Ca 0.04 1.08 -0.12 0.00 0.02 0.00 0.00 55.97 56.99 1j7m s LYS 25 Cb -0.13 -3.69 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 1j7m s LYS 25 CO 0.02 -0.74 0.23 0.71 -0.92 0.00 0.00 175.35 174.65 1j7m s TYR 26 N 3.32 3.22 -0.28 3.18 2.02 0.17 -4.89 117.35 124.11 1j7m s TYR 26 Ca 0.42 -0.53 0.22 0.00 -0.37 0.00 0.00 57.07 56.81 1j7m s TYR 26 Cb -0.14 -2.47 0.08 0.00 -0.40 0.00 0.00 41.96 39.04 1j7m s TYR 26 CO 0.11 -0.49 1.20 0.93 -1.57 0.00 0.00 175.55 175.72 1j7m h GLU 27 N 8.48 0.00 -5.06 -0.62 5.08 -1.92 0.42 114.58 120.96 1j7m h GLU 27 Ca -0.29 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.45 1j7m h GLU 27 Cb 1.13 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.25 1j7m h GLU 27 CO 0.66 0.04 -0.50 -1.54 -1.00 0.00 0.00 179.01 176.67 1j7m s SER 28 N -5.66 3.39 0.93 1.42 1.04 -1.26 -4.87 113.70 108.69 1j7m s SER 28 Ca 0.02 -1.72 -0.11 0.00 0.48 0.00 0.00 55.95 54.61 1j7m s SER 28 Cb 0.08 0.63 0.15 0.00 0.10 0.00 0.00 66.02 66.98 1j7m s SER 28 CO 0.76 -0.96 1.10 0.00 0.98 0.00 0.00 173.24 175.11 1j7m s THR 30 N -2.74 0.27 -0.07 0.00 -1.32 0.94 -4.93 115.64 107.80 1j7m s THR 30 Ca 0.65 -1.99 0.10 0.00 -1.21 0.00 0.00 61.69 59.24 1j7m s THR 30 Cb -0.21 -2.50 0.15 0.00 -1.51 0.00 0.00 72.50 68.43 1j7m s THR 30 CO 0.58 -0.06 1.06 -1.54 -2.21 0.00 0.00 174.62 172.46 1j7m n SER 31 N -0.33 2.02 -4.77 8.08 3.41 -1.26 0.66 113.62 121.43 1j7m n SER 31 Ca 0.00 -2.54 -0.40 0.00 -0.26 0.00 0.00 58.87 55.67 1j7m n SER 31 Cb 0.66 -0.24 0.01 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.92 3.27 0.00 7.33 0.00 -1.26 -0.91 121.76 128.28 1j7m s ALA 32 Ca 0.17 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.58 1j7m s ALA 32 Cb 0.15 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1j7m s ALA 32 CO 0.02 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.04 1j7m n GLY 33 N 0.58 2.63 0.10 0.00 0.00 -1.26 -4.72 105.19 102.51 1j7m n GLY 33 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.92 0.00 -1.86 1.61 1.74 -0.74 -4.98 116.66 110.51 1j7m n ARG 34 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1j7m n ARG 34 Cb 0.00 -0.23 -0.06 0.00 -1.02 0.00 0.00 32.46 31.15 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 -2.02 -5.66 -0.10 0.55 7.64 -0.08 -4.81 113.62 109.14 1j7m n SER 35 Ca 0.00 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 60.11 1j7m n SER 35 Cb 0.00 -4.90 -0.12 0.00 -1.01 0.00 0.00 64.21 58.18 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 -1.59 1.59 0.00 6.43 5.75 -1.26 -5.06 116.55 122.41 1j7m n ASP 36 Ca -0.22 -0.06 0.00 0.00 -0.01 0.00 0.00 54.79 54.50 1j7m n ASP 36 Cb 0.69 0.29 0.00 0.00 -1.03 0.00 0.00 41.12 41.06 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 2.22 -0.80 3.74 6.12 0.00 -1.26 -5.14 105.19 110.07 1j7m n GLY 37 Ca -0.33 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1j7m n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j7m n LYS 38 N 0.00 2.54 -3.91 1.61 4.01 -1.26 -5.00 118.16 116.14 1j7m n LYS 38 Ca 0.00 0.90 -0.28 0.00 -0.51 0.00 0.00 58.31 58.42 1j7m n LYS 38 Cb 0.00 -2.62 -0.03 0.00 -0.51 0.00 0.00 35.03 31.87 1j7m n LYS 38 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 1j7m s MET 39 N -1.19 3.45 0.00 1.97 -1.94 -1.26 -4.77 119.30 115.55 1j7m s MET 39 Ca 0.60 -0.52 0.00 0.00 -1.71 0.00 0.00 55.69 54.06 1j7m s MET 39 Cb -0.52 -2.97 0.00 0.00 2.01 0.00 0.00 34.83 33.35 1j7m s MET 39 CO 0.55 0.53 0.00 -2.67 -0.01 0.00 0.00 175.02 173.43 1j7m n TRP 40 N -0.32 0.00 -3.62 -0.03 4.27 0.21 -0.44 117.44 117.51 1j7m n TRP 40 Ca -0.06 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.42 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 0.16 2.87 -1.67 0.00 0.00 -1.26 -2.14 121.76 119.71 1j7m s ALA 42 Ca 0.00 0.78 0.19 0.00 0.00 0.00 0.00 51.96 52.94 1j7m s ALA 42 Cb -0.04 -3.33 0.63 0.00 0.00 0.00 0.00 23.12 20.39 1j7m s ALA 42 CO -0.01 -0.54 1.53 0.25 0.00 0.00 0.00 175.76 176.99 1j7m n THR 43 N -0.83 1.24 -4.21 0.00 -2.24 -0.86 -1.08 114.28 106.29 1j7m n THR 43 Ca 0.09 -0.99 -0.16 0.00 -2.27 0.00 0.00 64.05 60.72 1j7m n THR 43 Cb 0.50 0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.39 1.16 0.23 4.28 -4.23 -1.26 -4.39 115.64 110.04 1j7m s THR 44 Ca 0.47 -1.70 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1j7m s THR 44 Cb 0.27 -1.47 0.19 0.00 1.34 0.00 0.00 72.50 72.83 1j7m s THR 44 CO 0.28 -0.49 1.83 0.00 -0.54 0.00 0.00 174.62 175.70 1j7m h ALA 45 N 3.50 1.13 -3.71 3.99 0.00 -1.88 -3.39 119.26 118.90 1j7m h ALA 45 Ca -0.39 -0.15 -0.67 0.00 0.00 0.00 0.00 54.91 53.71 1j7m h ALA 45 Cb 1.19 -0.35 -0.37 0.00 0.00 0.00 0.00 17.79 18.27 1j7m h ALA 45 CO 0.52 0.66 -0.81 1.21 0.00 0.00 0.00 179.25 180.84 1j7m s ASN 46 N -6.26 4.19 0.07 0.00 3.84 -1.26 -2.01 114.94 113.51 1j7m s ASN 46 Ca -0.13 -1.25 0.05 0.00 0.21 0.00 0.00 52.86 51.74 1j7m s ASN 46 Cb 0.17 -1.53 -0.23 0.00 -0.55 0.00 0.00 41.25 39.10 1j7m s ASN 46 CO 0.83 -0.15 1.10 0.22 -2.79 0.00 0.00 177.10 176.31 1j7m h TYR 47 N 7.81 0.14 -0.53 0.43 3.20 -1.64 -3.05 116.97 123.32 1j7m h TYR 47 Ca -0.24 -0.11 0.08 0.00 3.14 0.00 0.00 58.73 61.61 1j7m h TYR 47 Cb 1.06 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1j7m h TYR 47 CO 0.61 1.10 0.36 -0.44 -1.64 0.00 0.00 178.16 178.14 1j7m h ASP 48 N 0.02 0.34 0.00 -2.11 3.32 -1.94 0.29 116.42 116.34 1j7m h ASP 48 Ca -0.11 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 1j7m h ASP 48 Cb 1.88 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 41.34 1j7m h ASP 48 CO 0.14 0.21 -1.00 0.47 -1.72 0.00 0.00 179.24 177.34 1j7m n ASP 49 N -4.47 1.86 0.16 6.45 9.92 -1.25 -4.55 116.55 124.66 1j7m n ASP 49 Ca 0.08 0.50 0.03 0.00 -0.53 0.00 0.00 54.79 54.87 1j7m n ASP 49 Cb 0.32 -0.88 0.19 0.00 -0.64 0.00 0.00 41.12 40.12 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 -1.00 0.00 -6.83 -2.24 5.19 -1.57 -3.48 116.42 106.49 1j7m h ASP 50 Ca -0.17 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.67 1j7m h ASP 50 Cb 0.92 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.30 1j7m h ASP 50 CO -0.10 0.51 -0.94 0.54 -3.12 0.00 0.00 179.24 176.12 1j7m n ARG 51 N -3.49 -1.83 -4.15 3.56 1.74 0.10 -4.96 116.66 107.63 1j7m n ARG 51 Ca 0.00 0.22 -0.33 0.00 -0.77 0.00 0.00 57.85 56.97 1j7m n ARG 51 Cb 0.62 -3.91 -0.16 0.00 -1.02 0.00 0.00 32.46 27.99 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 -7.04 3.01 0.37 5.56 1.02 -1.26 -5.08 119.74 116.32 1j7m s LYS 52 Ca 0.03 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.25 1j7m s LYS 52 Cb -0.02 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 1j7m s LYS 52 CO 0.95 -0.20 0.18 1.67 -0.92 0.00 0.00 175.35 177.03 1j7m s TRP 53 N 1.27 1.74 -0.21 3.18 1.48 -1.26 -2.03 118.94 123.10 1j7m s TRP 53 Ca 0.04 -1.41 -0.28 0.00 -1.06 0.00 0.00 56.10 53.39 1j7m s TRP 53 Cb -0.13 -0.97 0.13 0.00 -1.16 0.00 0.00 33.47 31.34 1j7m s TRP 53 CO -0.12 -0.51 1.04 0.20 -4.06 0.00 0.00 176.95 173.50 1j7m s GLY 54 N -3.50 -0.19 0.86 3.67 0.00 -0.91 -1.70 107.32 105.55 1j7m s GLY 54 Ca 0.31 2.33 -0.12 0.00 0.00 0.00 0.00 44.72 47.24 1j7m s GLY 54 CO 0.19 1.34 1.18 -1.36 0.00 0.00 0.00 173.10 174.45 1j7m s PHE 55 N -0.61 1.71 0.28 1.90 0.08 0.33 0.28 117.98 121.95 1j7m s PHE 55 Ca 0.01 1.73 -0.30 0.00 0.12 0.00 0.00 56.93 58.49 1j7m s PHE 55 Cb -0.02 -3.43 -0.11 0.00 -0.57 0.00 0.00 43.02 38.89 1j7m s PHE 55 CO -0.02 -2.85 1.49 0.00 -0.10 0.00 0.00 175.22 173.74 1j7m n PRO 57 N 1.95 2.74 -1.67 0.00 -0.04 -1.26 -4.68 135.00 132.05 1j7m n PRO 57 Ca 0.06 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.07 1j7m n PRO 57 Cb 0.39 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.00 3.78 -0.49 3.54 -0.08 -1.26 -4.85 116.55 117.19 1j7m n ASP 58 Ca 0.00 0.95 0.06 0.00 -1.51 0.00 0.00 54.79 54.29 1j7m n ASP 58 Cb 0.00 -1.45 0.15 0.00 2.34 0.00 0.00 41.12 42.16 1j7m n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j7m n GLN 59 N 6.85 2.69 0.00 -0.67 6.02 -1.26 -5.16 117.38 125.85 1j7m n GLN 59 Ca 0.21 -2.22 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 1j7m n GLN 59 Cb 0.35 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46