#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 -3.67 -2.33 0.66 5.03 -1.26 -5.00 117.44 110.86 1j7m n TRP 2 Ca 0.00 -0.51 -0.37 0.00 3.03 0.00 0.00 57.50 59.64 1j7m n TRP 2 Cb 0.00 -0.52 -0.02 0.00 -1.03 0.00 0.00 31.31 29.74 1j7m n TRP 2 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1j7m s MET 3 N -4.28 3.93 0.46 -0.99 0.23 -1.26 -4.93 119.30 112.47 1j7m s MET 3 Ca 0.35 1.73 -0.01 0.00 -1.03 0.00 0.00 55.69 56.73 1j7m s MET 3 Cb -0.02 -2.51 -0.01 0.00 -1.53 0.00 0.00 34.83 30.76 1j7m s MET 3 CO 0.26 -0.39 0.71 -1.12 -2.03 0.00 0.00 175.02 172.44 1j7m s SER 4 N -1.35 5.89 0.14 -1.18 0.01 -1.26 -3.74 113.70 112.21 1j7m s SER 4 Ca 0.60 0.44 0.06 0.00 1.31 0.00 0.00 55.95 58.37 1j7m s SER 4 Cb -0.28 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 1j7m s SER 4 CO 0.34 -0.70 0.02 0.42 0.41 0.00 0.00 173.24 173.73 1j7m s THR 5 N -2.62 3.96 0.19 1.44 -4.23 -1.23 -4.40 115.64 108.75 1j7m s THR 5 Ca 0.48 -1.19 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1j7m s THR 5 Cb -0.10 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 1j7m s THR 5 CO 0.40 -0.01 -0.02 0.54 -0.54 0.00 0.00 174.62 174.99 1j7m s VAL 6 N -1.55 0.86 0.00 2.29 0.11 -1.25 -2.76 120.40 118.11 1j7m s VAL 6 Ca 0.27 -2.01 0.00 0.00 -2.93 0.00 0.00 61.98 57.31 1j7m s VAL 6 Cb -0.10 -2.14 0.00 0.00 -1.53 0.00 0.00 36.38 32.61 1j7m s VAL 6 CO 0.19 -0.48 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1j7m n GLY 7 N -0.29 2.14 3.16 6.54 0.00 -1.26 0.18 105.19 115.66 1j7m n GLY 7 Ca -0.07 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.00 0.04 -0.02 0.00 -1.26 -4.85 105.19 96.11 1j7m n GLY 8 Ca 0.00 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 1.02 0.26 -2.23 1.61 2.04 -1.07 -2.88 115.26 114.01 1j7m n ASN 9 Ca 0.00 0.55 -0.26 0.00 -0.44 0.00 0.00 54.58 54.43 1j7m n ASN 9 Cb 0.64 -0.61 0.15 0.00 -2.53 0.00 0.00 39.78 37.43 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 -1.77 4.76 -4.51 0.53 7.64 -0.94 -4.97 113.62 114.35 1j7m n SER 10 Ca 0.04 -3.62 -0.37 0.00 1.01 0.00 0.00 58.87 55.94 1j7m n SER 10 Cb 0.27 -0.87 -0.13 0.00 -1.01 0.00 0.00 64.21 62.47 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 -1.05 -0.34 0.00 0.23 0.00 -1.14 -0.12 105.19 102.77 1j7m n GLY 11 Ca 0.59 0.89 0.00 0.00 0.00 0.00 0.00 46.02 47.50 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 6.29 1.24 3.81 -0.02 0.00 -1.11 -4.93 105.19 110.47 1j7m n GLY 12 Ca 0.60 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.66 3.48 0.49 4.61 0.00 0.83 -4.48 121.76 126.03 1j7m s ALA 13 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.88 1j7m s ALA 13 Cb 0.00 -2.77 -0.07 0.00 0.00 0.00 0.00 23.12 20.28 1j7m s ALA 13 CO 0.00 0.35 1.17 -2.14 0.00 0.00 0.00 175.76 175.15 1j7m s PRO 14 N -1.59 3.59 -0.32 0.00 0.02 -1.25 -3.47 135.00 131.99 1j7m s PRO 14 Ca 0.37 1.77 -0.27 0.00 0.02 0.00 0.00 61.00 62.90 1j7m s PRO 14 Cb -0.19 -2.29 0.01 0.00 0.02 0.00 0.00 34.50 32.06 1j7m s PRO 14 CO 0.21 -0.69 0.97 0.00 -0.33 0.00 0.00 177.00 177.17 1j7m s VAL 16 N 3.41 4.42 -0.06 0.00 1.01 -0.53 -4.93 120.40 123.72 1j7m s VAL 16 Ca 0.41 1.71 0.04 0.00 0.00 0.00 0.00 61.98 64.13 1j7m s VAL 16 Cb -0.13 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1j7m s VAL 16 CO 0.15 -0.20 -0.18 -0.36 0.00 0.00 0.00 175.10 174.50 1j7m s PHE 17 N 3.49 2.61 0.22 5.22 0.08 -1.26 -2.58 117.98 125.76 1j7m s PHE 17 Ca 0.50 -0.38 -0.23 0.00 0.12 0.00 0.00 56.93 56.95 1j7m s PHE 17 Cb -0.18 -1.64 -0.08 0.00 -0.57 0.00 0.00 43.02 40.55 1j7m s PHE 17 CO 0.12 0.02 0.79 -1.25 -0.10 0.00 0.00 175.22 174.80 1j7m s PRO 18 N -0.44 4.44 -0.19 0.24 0.04 -1.26 -5.06 135.00 132.77 1j7m s PRO 18 Ca 0.05 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.09 1j7m s PRO 18 Cb -0.12 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 1j7m s PRO 18 CO 0.02 0.45 0.05 -0.59 0.04 0.00 0.00 177.00 176.96 1j7m s PHE 19 N -1.39 3.20 -0.24 0.56 -0.71 0.11 -4.75 117.98 114.76 1j7m s PHE 19 Ca 0.41 -0.03 -0.15 0.00 -1.04 0.00 0.00 56.93 56.13 1j7m s PHE 19 Cb -0.20 -2.08 -0.04 0.00 -1.21 0.00 0.00 43.02 39.49 1j7m s PHE 19 CO 0.24 0.07 0.36 0.99 -1.34 0.00 0.00 175.22 175.54 1j7m s THR 20 N 0.51 5.20 0.00 -4.49 2.01 -0.73 0.86 115.64 119.01 1j7m s THR 20 Ca 0.02 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.61 1j7m s THR 20 Cb -0.13 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.69 1j7m s THR 20 CO 0.01 0.21 0.00 0.33 -0.69 0.00 0.00 174.62 174.49 1j7m n PHE 21 N 4.88 0.00 -0.07 4.92 7.35 0.39 -2.04 117.46 132.89 1j7m n PHE 21 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 1j7m n PHE 21 Cb 0.51 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.34 1j7m n PHE 21 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1j7m n LEU 22 N 0.00 0.00 0.00 -2.13 7.99 -1.26 -3.01 117.00 118.59 1j7m n LEU 22 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 1j7m n LEU 22 Cb 0.00 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 1j7m n LEU 22 CO 0.00 -0.51 0.00 0.61 -1.51 0.00 0.00 177.39 175.98 1j7m n GLY 23 N 2.51 0.69 3.13 -0.72 0.00 -1.26 -5.04 105.19 104.48 1j7m n GLY 23 Ca 0.00 0.00 -0.26 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 -2.16 2.18 -0.27 1.61 0.01 -1.16 -5.10 114.94 110.05 1j7m s ASN 24 Ca 0.00 -0.36 -0.29 0.00 -0.71 0.00 0.00 52.86 51.50 1j7m s ASN 24 Cb 0.00 -0.68 0.01 0.00 0.41 0.00 0.00 41.25 40.99 1j7m s ASN 24 CO 0.00 0.14 1.08 -0.54 -1.51 0.00 0.00 177.10 176.26 1j7m s LYS 25 N 0.13 4.17 -0.37 -0.60 1.02 -1.26 -0.46 119.74 122.37 1j7m s LYS 25 Ca -0.06 1.26 -0.10 0.00 0.02 0.00 0.00 55.97 57.09 1j7m s LYS 25 Cb -0.12 -3.69 0.04 0.00 -0.52 0.00 0.00 37.83 33.53 1j7m s LYS 25 CO 0.03 -0.76 0.19 0.71 -0.92 0.00 0.00 175.35 174.60 1j7m s TYR 26 N 3.44 3.25 -0.59 3.18 2.02 0.25 -4.89 117.35 124.02 1j7m s TYR 26 Ca 0.46 -1.11 0.24 0.00 -0.37 0.00 0.00 57.07 56.28 1j7m s TYR 26 Cb -0.14 -2.45 0.37 0.00 -0.40 0.00 0.00 41.96 39.34 1j7m s TYR 26 CO 0.11 -0.69 1.37 0.93 -1.57 0.00 0.00 175.55 175.71 1j7m h GLU 27 N 8.39 0.00 -5.04 -0.62 5.08 -1.91 0.31 114.58 120.78 1j7m h GLU 27 Ca -0.25 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.51 1j7m h GLU 27 Cb 1.10 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.22 1j7m h GLU 27 CO 0.66 0.00 -0.50 -1.54 -1.00 0.00 0.00 179.01 176.64 1j7m s SER 28 N -4.56 3.16 0.84 1.42 1.04 -1.26 -4.83 113.70 109.50 1j7m s SER 28 Ca 0.06 -1.73 -0.10 0.00 0.48 0.00 0.00 55.95 54.66 1j7m s SER 28 Cb 0.12 0.61 0.10 0.00 0.10 0.00 0.00 66.02 66.95 1j7m s SER 28 CO 0.71 -0.97 1.11 0.00 0.98 0.00 0.00 173.24 175.06 1j7m s THR 30 N -2.81 0.32 -0.06 0.00 -1.32 0.85 -4.92 115.64 107.71 1j7m s THR 30 Ca 0.63 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 59.19 1j7m s THR 30 Cb -0.19 -2.57 0.12 0.00 -1.51 0.00 0.00 72.50 68.35 1j7m s THR 30 CO 0.57 0.00 1.02 -1.54 -2.21 0.00 0.00 174.62 172.46 1j7m n SER 31 N -0.50 1.79 -4.78 8.08 3.41 -1.26 0.78 113.62 121.14 1j7m n SER 31 Ca 0.01 -2.38 -0.41 0.00 -0.26 0.00 0.00 58.87 55.83 1j7m n SER 31 Cb 0.66 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.63 3.51 0.00 7.33 0.00 -1.26 -0.98 121.76 128.74 1j7m s ALA 32 Ca 0.14 1.55 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1j7m s ALA 32 Cb 0.12 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1j7m s ALA 32 CO 0.01 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1j7m n GLY 33 N 0.48 1.79 0.52 0.00 0.00 -1.26 -4.73 105.19 101.99 1j7m n GLY 33 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.05 -2.61 1.61 1.74 -0.76 -5.00 116.66 109.69 1j7m n ARG 34 Ca 0.00 0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 56.94 1j7m n ARG 34 Cb 0.00 -0.38 -0.00 0.00 -1.02 0.00 0.00 32.46 31.06 1j7m n ARG 34 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1j7m n SER 35 N -2.78 -4.29 0.00 0.55 3.41 -0.15 -4.86 113.62 105.50 1j7m n SER 35 Ca -0.01 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1j7m n SER 35 Cb 0.05 -3.60 0.00 0.00 -0.26 0.00 0.00 64.21 60.40 1j7m n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1j7m n ASP 36 N -1.95 0.00 0.00 4.04 5.68 -1.26 -5.06 116.55 118.00 1j7m n ASP 36 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 1j7m n ASP 36 Cb 0.61 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 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 2.74 0.15 3.81 6.12 0.00 -1.26 -5.12 105.19 111.63 1j7m n GLY 37 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 4.20 0.04 1.61 -0.14 -1.26 -5.08 119.74 118.11 1j7m s LYS 38 Ca 0.00 0.75 -0.00 0.00 -1.36 0.00 0.00 55.97 55.35 1j7m s LYS 38 Cb 0.00 -3.17 -0.04 0.00 -1.68 0.00 0.00 37.83 32.94 1j7m s LYS 38 CO 0.00 0.59 0.17 -1.64 -0.76 0.00 0.00 175.35 173.71 1j7m s MET 39 N -1.29 3.30 0.00 1.68 -1.94 -1.26 -4.77 119.30 115.02 1j7m s MET 39 Ca 0.32 -0.45 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 1j7m s MET 39 Cb -0.19 -2.98 0.00 0.00 2.01 0.00 0.00 34.83 33.67 1j7m s MET 39 CO 0.20 0.63 0.00 -2.67 -0.01 0.00 0.00 175.02 173.16 1j7m n TRP 40 N 0.61 0.00 -3.61 -0.03 4.27 0.23 -0.11 117.44 118.80 1j7m n TRP 40 Ca -0.08 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.40 1j7m n TRP 40 Cb 0.52 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.40 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 -0.03 2.80 -1.14 0.00 0.00 -1.26 -1.28 121.76 120.84 1j7m s ALA 42 Ca -0.01 0.63 0.19 0.00 0.00 0.00 0.00 51.96 52.77 1j7m s ALA 42 Cb -0.04 -3.28 0.73 0.00 0.00 0.00 0.00 23.12 20.53 1j7m s ALA 42 CO 0.01 -0.52 1.64 0.25 0.00 0.00 0.00 175.76 177.13 1j7m n THR 43 N -1.23 1.84 -4.10 0.00 -2.24 -0.12 -1.45 114.28 106.98 1j7m n THR 43 Ca 0.10 -1.20 -0.12 0.00 -2.27 0.00 0.00 64.05 60.56 1j7m n THR 43 Cb 0.52 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.85 0.58 0.22 4.28 -4.23 -1.26 -4.41 115.64 108.97 1j7m s THR 44 Ca 0.52 -1.44 -0.08 0.00 -1.18 0.00 0.00 61.69 59.50 1j7m s THR 44 Cb 0.33 -1.06 0.19 0.00 1.34 0.00 0.00 72.50 73.30 1j7m s THR 44 CO 0.25 -0.60 1.87 0.00 -0.54 0.00 0.00 174.62 175.59 1j7m h ALA 45 N 3.84 1.09 -3.62 3.99 0.00 -1.87 -3.38 119.26 119.31 1j7m h ALA 45 Ca -0.35 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 53.78 1j7m h ALA 45 Cb 1.19 -0.34 -0.35 0.00 0.00 0.00 0.00 17.79 18.28 1j7m h ALA 45 CO 0.51 0.55 -0.78 1.21 0.00 0.00 0.00 179.25 180.74 1j7m s ASN 46 N -6.09 4.36 0.16 0.00 3.84 -1.26 -1.77 114.94 114.18 1j7m s ASN 46 Ca -0.13 -1.22 0.09 0.00 0.21 0.00 0.00 52.86 51.81 1j7m s ASN 46 Cb 0.16 -1.59 -0.12 0.00 -0.55 0.00 0.00 41.25 39.15 1j7m s ASN 46 CO 0.81 -0.17 1.33 0.22 -2.79 0.00 0.00 177.10 176.50 1j7m h TYR 47 N 7.87 0.00 -0.87 0.43 3.20 -1.59 -3.21 116.97 122.79 1j7m h TYR 47 Ca -0.24 0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.68 1j7m h TYR 47 Cb 1.06 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.28 1j7m h TYR 47 CO 0.61 0.88 0.57 -0.44 -1.64 0.00 0.00 178.16 178.13 1j7m h ASP 48 N 0.00 0.88 0.03 -2.11 3.32 -1.87 0.36 116.42 117.03 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 1.66 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1j7m h ASP 48 CO 0.11 0.58 -0.01 0.44 -1.72 0.00 0.00 179.24 178.63 1j7m h ASP 49 N 1.00 -0.04 1.30 6.45 3.32 -1.92 -3.40 116.42 123.15 1j7m h ASP 49 Ca 0.37 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 1j7m h ASP 49 Cb 0.16 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1j7m h ASP 49 CO -0.13 0.41 -0.72 0.44 -1.72 0.00 0.00 179.24 177.52 1j7m h ASP 50 N -0.91 0.00 -6.52 6.45 3.32 -1.60 -3.48 116.42 113.67 1j7m h ASP 50 Ca -0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1j7m h ASP 50 Cb 0.03 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.49 1j7m h ASP 50 CO 0.01 0.57 -0.85 0.54 -1.72 0.00 0.00 179.24 177.79 1j7m n ARG 51 N -3.18 -3.66 -3.87 3.56 1.74 0.13 -4.95 116.66 106.42 1j7m n ARG 51 Ca -0.00 0.43 -0.35 0.00 -0.77 0.00 0.00 57.85 57.16 1j7m n ARG 51 Cb 0.78 -4.88 -0.14 0.00 -1.02 0.00 0.00 32.46 27.20 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 -6.65 3.32 0.36 5.56 1.02 -1.26 -5.04 119.74 117.05 1j7m s LYS 52 Ca 0.32 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.68 1j7m s LYS 52 Cb -0.17 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1j7m s LYS 52 CO 0.89 -0.25 0.11 1.67 -0.92 0.00 0.00 175.35 176.84 1j7m s TRP 53 N 1.49 1.80 -0.25 3.18 1.48 -1.26 -0.94 118.94 124.43 1j7m s TRP 53 Ca 0.05 -1.19 -0.26 0.00 -1.06 0.00 0.00 56.10 53.64 1j7m s TRP 53 Cb -0.15 -1.14 0.12 0.00 -1.16 0.00 0.00 33.47 31.14 1j7m s TRP 53 CO -0.02 -0.23 1.02 0.20 -4.06 0.00 0.00 176.95 173.87 1j7m s GLY 54 N -3.52 -0.18 0.93 3.67 0.00 -0.40 -2.22 107.32 105.59 1j7m s GLY 54 Ca 0.30 2.50 -0.10 0.00 0.00 0.00 0.00 44.72 47.41 1j7m s GLY 54 CO 0.15 1.61 1.06 0.69 0.00 0.00 0.00 173.10 176.61 1j7m n PHE 55 N 1.79 0.54 -2.27 1.90 3.72 0.47 0.86 117.46 124.47 1j7m n PHE 55 Ca -0.12 0.36 -0.41 0.00 -0.05 0.00 0.00 57.45 57.24 1j7m n PHE 55 Cb 0.56 -1.97 -0.03 0.00 -0.94 0.00 0.00 39.48 37.11 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 1.93 0.63 -3.46 0.00 -0.04 -1.26 -3.78 135.00 129.01 1j7m n PRO 57 Ca 0.03 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.21 1j7m n PRO 57 Cb 0.43 -1.21 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.64 2.31 0.09 3.54 -1.08 -1.26 -4.95 116.67 113.68 1j7m s ASP 58 Ca 0.13 -2.72 0.22 0.00 -0.52 0.00 0.00 52.55 49.65 1j7m s ASP 58 Cb 0.06 -0.51 -0.16 0.00 -1.46 0.00 0.00 42.92 40.85 1j7m s ASP 58 CO 0.10 -0.23 0.77 0.00 0.52 0.00 0.00 175.17 176.33 1j7m n GLN 59 N 3.33 0.63 0.00 4.34 1.13 -1.25 -5.01 117.38 120.55 1j7m n GLN 59 Ca 0.21 -0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.26 1j7m n GLN 59 Cb 0.42 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.08 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03