#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 1.62 0.55 1.43 -0.11 -1.26 -5.14 118.94 116.02 1j7m s TRP 2 Ca 0.00 -0.35 -0.09 0.00 1.22 0.00 0.00 56.10 56.88 1j7m s TRP 2 Cb 0.00 -0.98 0.14 0.00 -1.50 0.00 0.00 33.47 31.12 1j7m s TRP 2 CO 0.00 0.05 0.49 0.00 -4.62 0.00 0.00 176.95 172.87 1j7m n MET 3 N 2.08 -1.94 0.00 5.86 0.00 -1.26 -4.75 117.12 117.12 1j7m n MET 3 Ca -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 57.70 56.75 1j7m n MET 3 Cb 0.54 -0.73 0.00 0.00 0.00 0.00 0.00 33.22 33.03 1j7m n MET 3 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1j7m n SER 4 N -3.83 -3.61 -4.91 3.17 2.88 -1.26 -4.88 113.62 101.18 1j7m n SER 4 Ca 0.07 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.38 1j7m n SER 4 Cb 0.26 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 1j7m n SER 4 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1j7m s THR 5 N 0.00 5.02 0.09 2.46 -4.23 -1.24 -4.74 115.64 113.00 1j7m s THR 5 Ca 0.00 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 1j7m s THR 5 Cb 0.00 -3.67 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 1j7m s THR 5 CO 0.00 -0.24 -0.03 0.54 -0.54 0.00 0.00 174.62 174.35 1j7m s VAL 6 N -1.92 0.42 0.00 2.29 0.11 -1.25 -4.25 120.40 115.81 1j7m s VAL 6 Ca 0.34 -1.89 0.00 0.00 -2.93 0.00 0.00 61.98 57.50 1j7m s VAL 6 Cb -0.09 -1.73 0.00 0.00 -1.53 0.00 0.00 36.38 33.03 1j7m s VAL 6 CO 0.27 -0.81 0.00 0.61 -3.33 0.00 0.00 175.10 171.84 1j7m n GLY 7 N -0.02 1.27 7.00 6.54 0.00 -1.26 0.21 105.19 118.93 1j7m n GLY 7 Ca -0.11 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 1.13 0.00 -0.02 0.00 -1.26 -4.38 105.19 100.66 1j7m n GLY 8 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.03 0.08 0.04 1.61 2.04 -0.32 -4.86 115.26 110.82 1j7m n ASN 9 Ca 0.00 -0.15 -0.09 0.00 -0.44 0.00 0.00 54.58 53.90 1j7m n ASN 9 Cb 0.00 0.31 -0.07 0.00 -2.53 0.00 0.00 39.78 37.49 1j7m n ASN 9 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1j7m h SER 10 N 0.00 -0.16 -5.66 0.53 0.02 -1.68 -3.49 113.55 103.11 1j7m h SER 10 Ca 0.00 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 60.50 1j7m h SER 10 Cb 0.00 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.59 1j7m h SER 10 CO 0.00 0.42 -0.26 0.61 -1.14 0.00 0.00 176.83 176.46 1j7m n GLY 11 N 0.87 -1.25 0.00 -3.77 0.00 -1.26 -4.52 105.19 95.26 1j7m n GLY 11 Ca -0.07 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.73 2.13 3.79 -0.02 0.00 -1.26 -4.98 105.19 103.13 1j7m n GLY 12 Ca -0.07 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 3.09 0.40 4.61 0.00 -1.26 -4.60 121.76 124.00 1j7m s ALA 13 Ca 0.00 0.55 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 1j7m s ALA 13 Cb 0.00 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.81 1j7m s ALA 13 CO 0.00 -0.00 0.89 -1.25 0.00 0.00 0.00 175.76 175.40 1j7m s PRO 14 N -2.63 4.18 -0.06 0.00 0.05 -1.26 -3.67 135.00 131.61 1j7m s PRO 14 Ca 0.58 1.01 -0.30 0.00 0.05 0.00 0.00 61.00 62.33 1j7m s PRO 14 Cb -0.17 -2.27 -0.03 0.00 0.05 0.00 0.00 34.50 32.09 1j7m s PRO 14 CO 0.21 0.03 1.11 0.00 0.05 0.00 0.00 177.00 178.41 1j7m s VAL 16 N 1.94 5.20 -0.05 0.00 1.01 -0.03 -4.94 120.40 123.52 1j7m s VAL 16 Ca 0.53 0.55 0.05 0.00 0.00 0.00 0.00 61.98 63.11 1j7m s VAL 16 Cb -0.23 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1j7m s VAL 16 CO 0.22 0.19 -0.18 -0.36 0.00 0.00 0.00 175.10 174.97 1j7m s PHE 17 N 1.83 2.60 0.07 5.22 0.08 -1.26 -2.56 117.98 123.97 1j7m s PHE 17 Ca 0.15 -0.27 -0.22 0.00 0.12 0.00 0.00 56.93 56.71 1j7m s PHE 17 Cb -0.15 -1.60 -0.06 0.00 -0.57 0.00 0.00 43.02 40.63 1j7m s PHE 17 CO 0.09 0.10 0.67 -1.25 -0.10 0.00 0.00 175.22 174.73 1j7m s PRO 18 N -0.64 4.39 -0.19 0.24 0.04 -1.26 -5.05 135.00 132.53 1j7m s PRO 18 Ca 0.10 0.92 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 1j7m s PRO 18 Cb -0.11 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1j7m s PRO 18 CO 0.00 0.48 0.08 -0.59 0.04 0.00 0.00 177.00 177.01 1j7m s PHE 19 N -0.66 3.28 -0.15 0.56 -0.71 0.65 -4.72 117.98 116.23 1j7m s PHE 19 Ca 0.33 0.12 -0.18 0.00 -1.04 0.00 0.00 56.93 56.16 1j7m s PHE 19 Cb -0.20 -2.11 -0.04 0.00 -1.21 0.00 0.00 43.02 39.46 1j7m s PHE 19 CO 0.21 0.16 0.49 0.99 -1.34 0.00 0.00 175.22 175.73 1j7m s THR 20 N 0.44 5.16 0.03 -4.49 2.01 -0.93 0.10 115.64 117.96 1j7m s THR 20 Ca 0.04 0.95 0.05 0.00 0.31 0.00 0.00 61.69 63.04 1j7m s THR 20 Cb -0.12 -3.82 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 1j7m s THR 20 CO 0.00 0.27 -0.14 0.12 -0.69 0.00 0.00 174.62 174.18 1j7m s PHE 21 N 1.01 1.27 -1.14 4.92 5.36 0.13 -1.53 117.98 128.00 1j7m s PHE 21 Ca 0.25 -0.34 -0.14 0.00 -0.96 0.00 0.00 56.93 55.74 1j7m s PHE 21 Cb -0.15 -0.76 0.14 0.00 -0.34 0.00 0.00 43.02 41.91 1j7m s PHE 21 CO 0.10 0.03 0.36 1.28 -1.46 0.00 0.00 175.22 175.53 1j7m n LEU 22 N 2.02 -0.54 0.00 6.12 7.99 -1.26 0.86 117.00 132.19 1j7m n LEU 22 Ca -0.17 -0.54 0.00 0.00 -0.01 0.00 0.00 56.01 55.28 1j7m n LEU 22 Cb 0.55 -1.39 0.00 0.00 -0.11 0.00 0.00 43.42 42.47 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 1.51 3.47 -0.72 0.00 -1.26 -5.03 105.19 102.30 1j7m n GLY 23 Ca 0.07 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 -2.99 4.36 -0.17 1.61 0.01 0.25 -5.08 114.94 112.93 1j7m s ASN 24 Ca 0.00 -0.19 -0.27 0.00 -0.71 0.00 0.00 52.86 51.69 1j7m s ASN 24 Cb 0.00 -1.45 -0.01 0.00 0.41 0.00 0.00 41.25 40.20 1j7m s ASN 24 CO 0.00 0.24 0.93 -0.54 -1.51 0.00 0.00 177.10 176.22 1j7m s LYS 25 N -0.06 4.32 -0.36 -0.60 3.01 -1.26 0.19 119.74 124.98 1j7m s LYS 25 Ca -0.01 1.21 -0.10 0.00 -1.01 0.00 0.00 55.97 56.05 1j7m s LYS 25 Cb -0.14 -3.58 0.02 0.00 -1.01 0.00 0.00 37.83 33.13 1j7m s LYS 25 CO 0.03 -0.40 0.19 0.71 0.51 0.00 0.00 175.35 176.39 1j7m s TYR 26 N 2.37 3.24 -0.62 3.18 2.02 0.29 -4.88 117.35 122.94 1j7m s TYR 26 Ca 0.43 -0.95 0.25 0.00 -0.37 0.00 0.00 57.07 56.42 1j7m s TYR 26 Cb -0.17 -2.41 0.47 0.00 -0.40 0.00 0.00 41.96 39.45 1j7m s TYR 26 CO 0.12 -0.63 1.48 0.93 -1.57 0.00 0.00 175.55 175.88 1j7m h GLU 27 N 8.41 0.00 0.00 -0.62 5.08 -1.91 0.19 114.58 125.72 1j7m h GLU 27 Ca -0.26 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.72 1j7m h GLU 27 Cb 1.11 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 1j7m h GLU 27 CO 0.66 0.00 -0.32 -1.13 -1.00 0.00 0.00 179.01 177.22 1j7m n SER 28 N -2.30 1.07 -4.71 1.42 3.41 -1.26 -4.81 113.62 106.44 1j7m n SER 28 Ca 0.04 -2.47 -0.30 0.00 -0.26 0.00 0.00 58.87 55.87 1j7m n SER 28 Cb 0.45 0.72 0.13 0.00 -0.26 0.00 0.00 64.21 65.25 1j7m n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j7m n THR 30 N -3.89 0.00 -1.92 0.00 5.66 0.68 -4.91 114.28 109.90 1j7m n THR 30 Ca 0.08 -1.87 0.03 0.00 -3.05 0.00 0.00 64.05 59.24 1j7m n THR 30 Cb 0.54 0.91 0.04 0.00 -1.55 0.00 0.00 70.33 70.26 1j7m n THR 30 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1j7m n SER 31 N -1.96 0.63 -4.76 1.09 3.41 -1.26 0.79 113.62 111.56 1j7m n SER 31 Ca 0.05 -2.26 -0.36 0.00 -0.26 0.00 0.00 58.87 56.04 1j7m n SER 31 Cb 0.47 -0.27 0.02 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.61 2.58 0.00 7.33 0.00 -1.26 -3.36 121.76 126.44 1j7m s ALA 32 Ca 0.13 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.03 1j7m s ALA 32 Cb 0.13 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1j7m s ALA 32 CO -0.03 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1j7m n GLY 33 N 0.38 0.25 0.00 0.00 0.00 -1.26 -4.98 105.19 99.58 1j7m n GLY 33 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.94 3.23 0.00 1.61 1.74 -1.21 -5.10 116.66 115.99 1j7m n ARG 34 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1j7m n ARG 34 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 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 0.00 1.24 0.00 0.55 3.41 -1.26 -5.07 113.62 112.49 1j7m n SER 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1j7m n SER 35 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.89 0.00 -0.48 4.04 5.75 -1.26 -5.06 116.55 117.65 1j7m n ASP 36 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.77 1j7m n ASP 36 Cb 0.17 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.25 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 3.32 0.80 3.74 6.12 0.00 -1.26 -5.12 105.19 112.80 1j7m n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.72 -0.02 1.61 1.02 -1.26 -5.03 119.74 120.78 1j7m s LYS 38 Ca 0.00 1.56 -0.04 0.00 0.02 0.00 0.00 55.97 57.51 1j7m s LYS 38 Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1j7m s LYS 38 CO 0.00 0.28 0.20 -1.64 -0.92 0.00 0.00 175.35 173.26 1j7m s MET 39 N -0.58 3.47 0.07 1.68 -1.94 -1.26 -4.57 119.30 116.17 1j7m s MET 39 Ca 0.45 -0.24 0.02 0.00 -1.71 0.00 0.00 55.69 54.21 1j7m s MET 39 Cb -0.26 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 1j7m s MET 39 CO 0.33 0.68 0.06 -2.67 -0.01 0.00 0.00 175.02 173.41 1j7m n TRP 40 N 1.12 -0.16 -3.67 -0.03 4.27 0.24 0.15 117.44 119.36 1j7m n TRP 40 Ca -0.12 -0.60 -0.13 0.00 -3.89 0.00 0.00 57.50 52.75 1j7m n TRP 40 Cb 0.53 0.06 -0.08 0.00 -1.36 0.00 0.00 31.31 30.46 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 0.38 2.72 -0.87 0.00 0.00 -1.26 -1.56 121.76 121.17 1j7m s ALA 42 Ca -0.00 0.56 0.17 0.00 0.00 0.00 0.00 51.96 52.68 1j7m s ALA 42 Cb -0.04 -3.28 0.76 0.00 0.00 0.00 0.00 23.12 20.56 1j7m s ALA 42 CO -0.00 -0.76 1.68 0.25 0.00 0.00 0.00 175.76 176.93 1j7m n THR 43 N -1.69 2.14 -4.13 0.00 -2.24 -0.29 -0.85 114.28 107.22 1j7m n THR 43 Ca 0.10 -1.27 -0.12 0.00 -2.27 0.00 0.00 64.05 60.48 1j7m n THR 43 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.14 0.69 0.35 4.28 -4.23 -1.26 -4.51 115.64 108.82 1j7m s THR 44 Ca 0.53 -1.52 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 1j7m s THR 44 Cb 0.36 -1.17 0.20 0.00 1.34 0.00 0.00 72.50 73.23 1j7m s THR 44 CO 0.22 -0.60 1.94 0.00 -0.54 0.00 0.00 174.62 175.64 1j7m h ALA 45 N 3.73 1.47 -3.62 3.99 0.00 -1.87 -3.38 119.26 119.58 1j7m h ALA 45 Ca -0.36 -0.13 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 1j7m h ALA 45 Cb 1.19 -0.18 -0.38 0.00 0.00 0.00 0.00 17.79 18.41 1j7m h ALA 45 CO 0.52 0.41 -0.79 1.21 0.00 0.00 0.00 179.25 180.60 1j7m s ASN 46 N -6.65 3.81 0.14 0.00 3.84 -1.26 -2.19 114.94 112.63 1j7m s ASN 46 Ca -0.09 -1.15 -0.01 0.00 0.21 0.00 0.00 52.86 51.83 1j7m s ASN 46 Cb 0.16 -1.17 -0.08 0.00 -0.55 0.00 0.00 41.25 39.62 1j7m s ASN 46 CO 0.76 -0.23 1.32 0.22 -2.79 0.00 0.00 177.10 176.38 1j7m h TYR 47 N 7.96 0.42 -0.87 0.43 3.20 -1.45 -3.19 116.97 123.47 1j7m h TYR 47 Ca -0.18 -0.24 0.16 0.00 3.14 0.00 0.00 58.73 61.60 1j7m h TYR 47 Cb 1.07 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.23 1j7m h TYR 47 CO 0.50 1.07 0.56 -0.44 -1.64 0.00 0.00 178.16 178.21 1j7m h ASP 48 N 0.14 0.56 0.00 -2.11 3.32 -1.89 0.26 116.42 116.69 1j7m h ASP 48 Ca -0.07 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1j7m h ASP 48 Cb 1.59 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.07 1j7m h ASP 48 CO 0.15 0.27 -0.10 0.44 -1.72 0.00 0.00 179.24 178.28 1j7m h ASP 49 N 0.58 0.00 0.08 6.45 5.19 -1.89 -3.41 116.42 123.43 1j7m h ASP 49 Ca 0.44 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.67 1j7m h ASP 49 Cb 0.83 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 1j7m h ASP 49 CO -0.19 0.37 -0.66 0.44 -3.12 0.00 0.00 179.24 176.08 1j7m h ASP 50 N -0.63 0.63 -6.02 6.45 3.32 -1.58 -3.48 116.42 115.12 1j7m h ASP 50 Ca 0.00 -0.38 -0.40 0.00 0.02 0.00 0.00 57.03 56.26 1j7m h ASP 50 Cb 0.10 -0.18 0.07 0.00 0.22 0.00 0.00 39.33 39.54 1j7m h ASP 50 CO 0.00 1.12 -0.83 0.54 -1.72 0.00 0.00 179.24 178.36 1j7m n ARG 51 N -3.91 -4.85 -4.08 3.56 5.12 0.91 -5.00 116.66 108.42 1j7m n ARG 51 Ca -0.04 0.65 -0.32 0.00 -1.93 0.00 0.00 57.85 56.20 1j7m n ARG 51 Cb 0.67 -5.23 -0.16 0.00 -1.16 0.00 0.00 32.46 26.58 1j7m n ARG 51 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1j7m s LYS 52 N -5.85 2.61 0.34 5.56 1.02 -1.26 -5.07 119.74 117.09 1j7m s LYS 52 Ca 0.04 -0.95 0.03 0.00 0.02 0.00 0.00 55.97 55.11 1j7m s LYS 52 Cb -0.01 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 1j7m s LYS 52 CO 0.80 -0.34 0.09 1.67 -0.92 0.00 0.00 175.35 176.65 1j7m s TRP 53 N 1.27 1.84 -0.13 3.18 1.48 -1.26 -1.13 118.94 124.18 1j7m s TRP 53 Ca 0.00 -1.10 -0.29 0.00 -1.06 0.00 0.00 56.10 53.65 1j7m s TRP 53 Cb -0.15 -1.18 0.07 0.00 -1.16 0.00 0.00 33.47 31.05 1j7m s TRP 53 CO -0.10 -0.15 0.71 0.20 -4.06 0.00 0.00 176.95 173.55 1j7m s GLY 54 N -3.50 -0.55 0.99 3.67 0.00 -0.60 -1.18 107.32 106.15 1j7m s GLY 54 Ca 0.32 1.59 -0.11 0.00 0.00 0.00 0.00 44.72 46.52 1j7m s GLY 54 CO 0.15 1.22 1.10 -1.36 0.00 0.00 0.00 173.10 174.22 1j7m s PHE 55 N -0.67 1.58 0.05 1.90 0.08 0.56 0.85 117.98 122.33 1j7m s PHE 55 Ca -0.07 1.57 -0.26 0.00 0.12 0.00 0.00 56.93 58.28 1j7m s PHE 55 Cb -0.02 -3.24 -0.05 0.00 -0.57 0.00 0.00 43.02 39.14 1j7m s PHE 55 CO 0.07 -3.13 0.82 0.00 -0.10 0.00 0.00 175.22 172.88 1j7m n PRO 57 N 2.88 0.64 -0.11 0.00 -0.04 -1.26 -2.90 135.00 134.22 1j7m n PRO 57 Ca -0.01 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.55 1j7m n PRO 57 Cb 0.50 -1.00 0.32 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.50 1.85 0.00 3.54 2.03 -1.26 -4.37 116.55 117.84 1j7m n ASP 58 Ca 0.00 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.52 1j7m n ASP 58 Cb 0.00 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.25 1j7m n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1j7m n GLN 59 N 0.46 1.51 0.00 -0.67 6.02 -1.14 -5.11 117.38 118.45 1j7m n GLN 59 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1j7m n GLN 59 Cb 0.34 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.60 1j7m n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46