#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jr5 n ASN 2 N 0.00 0.00 -4.89 7.83 6.94 -1.26 -5.12 115.26 118.76 1jr5 n ASN 2 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.26 1jr5 n ASN 2 Cb 0.00 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.48 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1jr5 s LYS 3 N -0.93 2.64 0.30 -3.83 2.20 -1.26 -4.96 119.74 113.90 1jr5 s LYS 3 Ca 0.00 0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.98 1jr5 s LYS 3 Cb 0.00 -2.01 0.53 0.00 -1.51 0.00 0.00 37.83 34.84 1jr5 s LYS 3 CO 0.00 -1.17 1.89 -0.91 -0.36 0.00 0.00 175.35 174.81 1jr5 h ASN 4 N -0.75 0.92 -1.69 1.43 4.21 -1.93 -2.09 115.58 115.68 1jr5 h ASN 4 Ca -0.45 0.01 0.50 0.00 1.21 0.00 0.00 56.30 57.58 1jr5 h ASN 4 Cb 1.27 -0.18 -0.09 0.00 -1.12 0.00 0.00 38.32 38.21 1jr5 h ASN 4 CO 0.64 0.57 1.19 -0.29 -1.29 0.00 0.00 177.43 178.26 1jr5 h ILE 5 N 1.03 0.10 0.15 2.81 2.10 -1.92 0.68 117.51 122.46 1jr5 h ILE 5 Ca 0.41 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 66.34 1jr5 h ILE 5 Cb 0.26 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.07 1jr5 h ILE 5 CO -0.17 0.00 -0.07 0.44 -1.08 0.00 0.00 178.15 177.27 1jr5 h ASP 6 N 0.02 -0.17 0.17 2.19 3.32 -1.75 0.55 116.42 120.75 1jr5 h ASP 6 Ca 0.85 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.90 1jr5 h ASP 6 Cb 3.24 0.04 0.00 0.00 0.22 0.00 0.00 39.33 42.84 1jr5 h ASP 6 CO -0.11 0.06 0.00 0.74 -1.72 0.00 0.00 179.24 178.21 1jr5 h THR 7 N -0.56 0.00 0.03 0.35 2.02 -1.44 -1.54 112.91 111.78 1jr5 h THR 7 Ca -0.02 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1jr5 h THR 7 Cb 0.15 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1jr5 h THR 7 CO 0.03 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.49 1jr5 h VAL 8 N 0.00 0.00 -1.28 3.16 2.07 0.30 -0.77 116.25 119.73 1jr5 h VAL 8 Ca 0.00 -0.32 0.37 0.00 0.82 0.00 0.00 66.70 67.57 1jr5 h VAL 8 Cb 0.08 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.77 1jr5 h VAL 8 CO 0.00 0.00 0.87 0.08 0.02 0.00 0.00 177.57 178.54 1jr5 h ARG 9 N -0.36 0.13 0.06 1.57 -0.00 -0.68 0.45 114.38 115.55 1jr5 h ARG 9 Ca -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1jr5 h ARG 9 Cb 0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 1jr5 h ARG 9 CO 0.01 0.09 -0.03 1.05 -0.00 0.00 0.00 179.97 181.09 1jr5 h GLU 10 N 0.14 -0.07 -0.37 0.08 4.11 -1.38 -1.79 114.58 115.29 1jr5 h GLU 10 Ca 0.69 0.01 0.08 0.00 0.07 0.00 0.00 59.36 60.20 1jr5 h GLU 10 Cb 2.31 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 31.50 1jr5 h GLU 10 CO -0.21 0.53 -0.15 0.82 0.07 0.00 0.00 179.01 180.07 1jr5 h ILE 11 N -0.79 0.52 0.95 -1.06 2.04 0.12 0.13 117.51 119.42 1jr5 h ILE 11 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1jr5 h ILE 11 Cb 0.63 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1jr5 h ILE 11 CO 0.01 0.00 -0.46 0.16 0.00 0.00 0.00 178.15 177.87 1jr5 h ILE 12 N -0.08 0.05 0.06 -0.67 3.07 -0.49 -1.55 117.51 117.90 1jr5 h ILE 12 Ca 0.18 -0.02 0.02 0.00 1.55 0.00 0.00 64.86 66.59 1jr5 h ILE 12 Cb 0.36 0.05 -0.05 0.00 -0.27 0.00 0.00 36.82 36.91 1jr5 h ILE 12 CO -0.42 0.00 -0.52 0.74 -1.05 0.00 0.00 178.15 176.90 1jr5 h THR 13 N -1.30 0.02 0.06 0.16 2.02 -1.06 -0.13 112.91 112.69 1jr5 h THR 13 Ca -0.13 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1jr5 h THR 13 Cb 0.98 0.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1jr5 h THR 13 CO 0.21 0.00 -0.42 -0.37 0.37 0.00 0.00 175.52 175.32 1jr5 h VAL 14 N -0.70 0.00 -1.05 3.16 -1.51 -0.77 0.12 116.25 115.50 1jr5 h VAL 14 Ca 0.01 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.76 1jr5 h VAL 14 Cb 0.74 0.00 -0.08 0.00 -2.13 0.00 0.00 31.29 29.82 1jr5 h VAL 14 CO -0.32 0.00 0.70 0.00 -1.23 0.00 0.00 177.57 176.72 1jr5 h ALA 15 N -0.73 2.47 -0.23 5.19 0.00 -1.18 0.90 119.26 125.68 1jr5 h ALA 15 Ca -0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1jr5 h ALA 15 Cb 0.58 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jr5 h ALA 15 CO -0.24 -0.84 -0.41 0.66 0.00 0.00 0.00 179.25 178.42 1jr5 h SER 16 N 0.28 0.57 -0.73 0.00 4.64 0.43 -1.14 113.55 117.60 1jr5 h SER 16 Ca 0.56 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 61.65 1jr5 h SER 16 Cb 1.65 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.55 1jr5 h SER 16 CO -0.20 0.91 0.47 0.40 -0.87 0.00 0.00 176.83 177.54 1jr5 h ILE 17 N 0.44 1.15 -0.01 0.95 2.04 0.33 0.45 117.51 122.86 1jr5 h ILE 17 Ca 0.04 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1jr5 h ILE 17 Cb 0.90 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1jr5 h ILE 17 CO 0.08 0.17 -0.19 -0.07 0.00 0.00 0.00 178.15 178.14 1jr5 h LEU 18 N 0.94 -0.55 -1.46 1.44 3.38 -0.75 0.17 115.31 118.48 1jr5 h LEU 18 Ca 0.28 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.34 1jr5 h LEU 18 Cb -0.06 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1jr5 h LEU 18 CO -0.08 -0.25 0.37 -0.29 0.09 0.00 0.00 178.44 178.28 1jr5 h ILE 19 N -0.30 1.13 -0.10 1.22 2.10 -0.39 0.97 117.51 122.14 1jr5 h ILE 19 Ca 0.06 -0.25 -0.09 0.00 1.08 0.00 0.00 64.86 65.66 1jr5 h ILE 19 Cb 0.37 0.33 -0.01 0.00 -1.09 0.00 0.00 36.82 36.42 1jr5 h ILE 19 CO -0.18 0.13 -0.34 0.50 -1.08 0.00 0.00 178.15 177.19 1jr5 h LYS 20 N 0.74 0.20 -0.87 2.19 3.11 0.12 -1.93 116.57 120.13 1jr5 h LYS 20 Ca 0.21 -0.08 -0.14 0.00 -2.81 0.00 0.00 60.65 57.83 1jr5 h LYS 20 Cb -0.05 -0.01 -0.08 0.00 -1.00 0.00 0.00 32.23 31.09 1jr5 h LYS 20 CO -0.05 0.52 0.18 1.19 -2.81 0.00 0.00 179.45 178.48 1jr5 n PHE 21 N -4.10 1.48 -3.08 1.91 3.72 0.46 -4.84 117.46 113.01 1jr5 n PHE 21 Ca -0.01 -0.82 -0.23 0.00 -0.05 0.00 0.00 57.45 56.34 1jr5 n PHE 21 Cb 0.42 -0.49 0.04 0.00 -0.94 0.00 0.00 39.48 38.51 1jr5 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jr5 n SER 22 N -0.01 -6.18 -1.47 4.37 7.64 -0.72 -4.89 113.62 112.36 1jr5 n SER 22 Ca 0.25 -0.31 -0.10 0.00 1.01 0.00 0.00 58.87 59.71 1jr5 n SER 22 Cb 0.98 -4.98 0.19 0.00 -1.01 0.00 0.00 64.21 59.39 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jr5 n ARG 23 N -4.14 1.99 0.32 1.43 5.12 0.32 -4.66 116.66 117.05 1jr5 n ARG 23 Ca -0.10 -3.19 0.16 0.00 -1.93 0.00 0.00 57.85 52.79 1jr5 n ARG 23 Cb 0.62 -1.92 0.85 0.00 -1.16 0.00 0.00 32.46 30.84 1jr5 n ARG 23 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1jr5 h GLU 24 N 1.06 0.00 -0.57 5.56 4.81 -1.80 0.42 114.58 124.06 1jr5 h GLU 24 Ca 0.33 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1jr5 h GLU 24 Cb 1.91 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.27 1jr5 h GLU 24 CO 0.60 0.00 0.12 0.22 -0.73 0.00 0.00 179.01 179.22 1jr5 h ASP 25 N 0.00 0.84 0.69 1.04 3.58 -1.94 0.71 116.42 121.34 1jr5 h ASP 25 Ca 0.01 -0.16 -0.26 0.00 0.42 0.00 0.00 57.03 57.03 1jr5 h ASP 25 Cb 0.63 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1jr5 h ASP 25 CO -0.00 0.83 -1.20 0.40 -2.88 0.00 0.00 179.24 176.39 1jr5 h ILE 26 N 0.85 1.54 0.00 2.25 2.04 -0.55 -3.23 117.51 120.41 1jr5 h ILE 26 Ca 0.18 -3.12 0.00 0.00 1.00 0.00 0.00 64.86 62.92 1jr5 h ILE 26 Cb 0.34 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1jr5 h ILE 26 CO 0.00 0.91 0.00 0.58 0.00 0.00 0.00 178.15 179.64 1jr5 h VAL 27 N 0.06 0.00 -0.01 1.67 2.07 -0.90 -2.76 116.25 116.39 1jr5 h VAL 27 Ca -0.11 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1jr5 h VAL 27 Cb 1.93 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1jr5 h VAL 27 CO 0.19 0.00 -0.16 -0.62 0.02 0.00 0.00 177.57 177.00 1jr5 n GLU 28 N -2.75 1.19 -4.53 1.57 1.02 0.24 -4.79 120.64 112.60 1jr5 n GLU 28 Ca 0.04 -0.72 -0.21 0.00 -0.02 0.00 0.00 57.16 56.25 1jr5 n GLU 28 Cb 0.42 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.21 1jr5 n GLU 28 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jr5 s ASN 29 N -2.30 1.41 0.09 1.62 3.84 -1.22 -4.62 114.94 113.76 1jr5 s ASN 29 Ca 0.29 -0.22 -0.21 0.00 0.21 0.00 0.00 52.86 52.94 1jr5 s ASN 29 Cb 0.20 -0.15 -0.10 0.00 -0.55 0.00 0.00 41.25 40.65 1jr5 s ASN 29 CO 0.45 0.14 1.65 -0.09 -2.79 0.00 0.00 177.10 176.46 1jr5 h ARG 30 N 5.82 0.24 -0.16 0.43 2.43 -1.85 -1.13 114.38 120.16 1jr5 h ARG 30 Ca -0.33 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.84 1jr5 h ARG 30 Cb 1.17 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.64 1jr5 h ARG 30 CO 0.49 0.30 -0.09 0.00 -1.51 0.00 0.00 179.97 179.16 1jr5 h ALA 31 N 0.93 0.05 -0.15 2.80 0.00 -1.96 0.31 119.26 121.23 1jr5 h ALA 31 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1jr5 h ALA 31 Cb 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jr5 h ALA 31 CO -0.01 -0.53 0.07 -0.91 0.00 0.00 0.00 179.25 177.88 1jr5 h ASN 32 N -0.08 0.10 -0.79 0.00 2.35 -1.77 -1.23 115.58 114.15 1jr5 h ASN 32 Ca 0.09 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1jr5 h ASN 32 Cb 0.21 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 1jr5 h ASN 32 CO -0.21 0.08 0.52 0.15 -1.65 0.00 0.00 177.43 176.33 1jr5 h PHE 33 N 0.16 1.00 -0.19 1.19 3.57 -0.81 0.14 116.94 122.00 1jr5 h PHE 33 Ca 0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1jr5 h PHE 33 Cb 0.02 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1jr5 h PHE 33 CO -0.09 0.64 0.09 0.82 -2.23 0.00 0.00 178.31 177.54 1jr5 h ILE 34 N 1.08 0.99 -0.16 1.41 2.04 -0.02 0.18 117.51 123.03 1jr5 h ILE 34 Ca 0.29 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.10 1jr5 h ILE 34 Cb -0.12 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1jr5 h ILE 34 CO -0.06 0.04 0.02 0.00 0.00 0.00 0.00 178.15 178.14 1jr5 h ALA 35 N 1.10 0.15 -0.56 1.87 0.00 -0.81 -1.37 119.26 119.64 1jr5 h ALA 35 Ca 0.08 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1jr5 h ALA 35 Cb 0.02 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.76 1jr5 h ALA 35 CO -0.06 -0.42 -0.06 0.35 0.00 0.00 0.00 179.25 179.06 1jr5 h PHE 36 N 0.08 -0.15 -0.44 0.00 3.57 -0.19 0.25 116.94 120.05 1jr5 h PHE 36 Ca 0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1jr5 h PHE 36 Cb 0.07 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1jr5 h PHE 36 CO -0.14 -0.19 0.28 -0.07 -2.23 0.00 0.00 178.31 175.96 1jr5 h LEU 37 N 0.06 0.52 -0.01 0.59 3.38 -0.13 -1.58 115.31 118.15 1jr5 h LEU 37 Ca 0.28 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1jr5 h LEU 37 Cb 0.44 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1jr5 h LEU 37 CO -0.52 0.41 0.00 -0.46 0.09 0.00 0.00 178.44 177.96 1jr5 n ASN 38 N -4.75 0.15 -0.07 -0.43 6.94 -0.55 -0.93 115.26 115.62 1jr5 n ASN 38 Ca 0.01 0.52 -0.18 0.00 -0.02 0.00 0.00 54.58 54.91 1jr5 n ASN 38 Cb 0.04 -0.56 -0.13 0.00 -2.36 0.00 0.00 39.78 36.77 1jr5 n ASN 38 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1jr5 n GLU 39 N -1.64 0.69 0.11 -3.83 0.28 0.76 -4.38 120.64 112.63 1jr5 n GLU 39 Ca 0.06 0.19 -0.04 0.00 -0.16 0.00 0.00 57.16 57.21 1jr5 n GLU 39 Cb 0.34 -1.60 0.10 0.00 1.43 0.00 0.00 31.44 31.71 1jr5 n GLU 39 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1jr5 h ILE 40 N 0.03 1.47 0.00 3.84 -2.65 -1.41 -3.47 117.51 115.31 1jr5 h ILE 40 Ca -0.51 -2.30 0.00 0.00 1.03 0.00 0.00 64.86 63.08 1jr5 h ILE 40 Cb 1.98 2.24 0.00 0.00 -2.05 0.00 0.00 36.82 38.99 1jr5 h ILE 40 CO -0.01 0.67 0.00 0.61 0.03 0.00 0.00 178.15 179.45 1jr5 n GLY 41 N 0.47 0.99 3.75 0.16 0.00 -1.20 -5.13 105.19 104.24 1jr5 n GLY 41 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1jr5 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jr5 s VAL 42 N -1.42 4.44 0.27 1.61 1.01 -0.11 -5.06 120.40 121.14 1jr5 s VAL 42 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1jr5 s VAL 42 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1jr5 s VAL 42 CO 0.00 0.16 0.44 0.42 0.00 0.00 0.00 175.10 176.12 1jr5 s THR 43 N -1.34 0.00 0.00 3.92 -4.23 -1.26 -3.73 115.64 108.99 1jr5 s THR 43 Ca 0.28 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1jr5 s THR 43 Cb -0.12 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1jr5 s THR 43 CO 0.20 0.00 0.73 1.57 -0.54 0.00 0.00 174.62 176.58 1jr5 n HIS 44 N -0.41 0.00 0.00 3.99 -0.00 -0.89 -4.56 115.22 113.35 1jr5 n HIS 44 Ca -0.01 -0.24 0.00 0.00 0.46 0.00 0.00 57.72 57.94 1jr5 n HIS 44 Cb 0.62 -0.02 0.00 0.00 -0.12 0.00 0.00 29.99 30.47 1jr5 n HIS 44 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 1jr5 n GLU 45 N -0.24 0.00 -0.82 1.57 0.28 -1.26 -4.91 120.64 115.26 1jr5 n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1jr5 n GLU 45 Cb 0.37 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.24 1jr5 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jr5 n GLY 46 N 0.00 1.14 2.93 -1.84 0.00 -1.26 -5.00 105.19 101.16 1jr5 n GLY 46 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1jr5 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jr5 s ARG 47 N -0.08 0.30 0.00 1.61 1.70 -1.26 -5.04 118.95 116.18 1jr5 s ARG 47 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 1jr5 s ARG 47 Cb 0.00 -0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.08 1jr5 s ARG 47 CO 0.00 0.07 0.00 0.36 -1.08 0.00 0.00 175.30 174.65 1jr5 n LYS 48 N 3.04 2.80 -4.14 3.89 -0.00 -1.24 -2.10 118.16 120.40 1jr5 n LYS 48 Ca -0.13 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.07 1jr5 n LYS 48 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.51 1jr5 n LYS 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1jr5 s LEU 49 N 0.00 2.45 -0.06 -5.58 1.43 -1.26 -4.52 118.68 111.14 1jr5 s LEU 49 Ca 0.00 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 1jr5 s LEU 49 Cb 0.00 -0.09 -0.06 0.00 0.03 0.00 0.00 46.19 46.07 1jr5 s LEU 49 CO 0.00 -0.41 -0.02 -3.20 0.23 0.00 0.00 176.35 172.96 1jr5 n ASN 50 N 0.32 3.57 0.00 2.29 2.85 -1.26 -4.68 115.26 118.34 1jr5 n ASN 50 Ca -0.15 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 1jr5 n ASN 50 Cb 0.59 0.32 0.00 0.00 1.24 0.00 0.00 39.78 41.93 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jr5 n GLN 51 N -2.42 0.00 0.00 1.20 1.13 -1.26 -4.93 117.38 111.10 1jr5 n GLN 51 Ca -0.10 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.07 1jr5 n GLN 51 Cb 0.66 0.00 0.12 0.00 0.11 0.00 0.00 30.24 31.12 1jr5 n GLN 51 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1jr5 n ASN 52 N 0.00 0.90 0.05 1.08 2.85 -1.26 -4.45 115.26 114.42 1jr5 n ASN 52 Ca 0.00 -0.72 -0.06 0.00 -0.11 0.00 0.00 54.58 53.69 1jr5 n ASN 52 Cb 0.00 0.51 -0.04 0.00 1.24 0.00 0.00 39.78 41.50 1jr5 n ASN 52 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1jr5 h SER 53 N 0.41 -0.19 -0.39 1.20 0.87 -1.95 -3.28 113.55 110.23 1jr5 h SER 53 Ca 0.00 -0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.51 1jr5 h SER 53 Cb 0.53 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.47 1jr5 h SER 53 CO 0.00 0.33 -0.02 0.15 -0.53 0.00 0.00 176.83 176.76 1jr5 h PHE 54 N -1.03 -0.07 -0.49 2.24 3.57 -1.98 -0.25 116.94 118.94 1jr5 h PHE 54 Ca -0.02 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1jr5 h PHE 54 Cb 0.30 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.03 1jr5 h PHE 54 CO 0.03 -0.10 -0.17 0.07 -2.23 0.00 0.00 178.31 175.91 1jr5 h ARG 55 N 0.08 -0.06 0.00 1.11 0.11 -1.78 0.24 114.38 114.08 1jr5 h ARG 55 Ca 0.19 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.19 1jr5 h ARG 55 Cb 0.28 0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 1jr5 h ARG 55 CO -0.34 -0.04 -0.39 0.87 0.10 0.00 0.00 179.97 180.17 1jr5 h LYS 56 N -0.06 0.00 0.20 0.08 1.57 -1.50 0.39 116.57 117.26 1jr5 h LYS 56 Ca 0.23 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1jr5 h LYS 56 Cb 0.42 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1jr5 h LYS 56 CO -0.54 0.39 -0.27 0.82 -0.57 0.00 0.00 179.45 179.28 1jr5 h ILE 57 N 0.00 0.43 -0.17 1.86 2.04 0.12 0.98 117.51 122.78 1jr5 h ILE 57 Ca -0.00 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.70 1jr5 h ILE 57 Cb 0.80 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1jr5 h ILE 57 CO 0.05 0.00 -0.49 -0.37 0.00 0.00 0.00 178.15 177.34 1jr5 h VAL 58 N -0.53 1.33 -0.07 1.67 -1.51 -0.90 0.10 116.25 116.34 1jr5 h VAL 58 Ca 0.01 -1.74 0.02 0.00 -1.23 0.00 0.00 66.70 63.76 1jr5 h VAL 58 Cb 0.51 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1jr5 h VAL 58 CO -0.10 0.54 0.06 -1.28 -1.23 0.00 0.00 177.57 175.57 1jr5 h SER 59 N 0.30 0.00 -0.41 4.19 0.87 0.06 0.14 113.55 118.70 1jr5 h SER 59 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jr5 h SER 59 Cb 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1jr5 h SER 59 CO 0.10 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.78 1jr5 n GLU 60 N -4.06 3.03 -3.30 2.24 -0.58 0.34 -4.95 120.64 113.36 1jr5 n GLU 60 Ca -0.01 -2.43 -0.38 0.00 -0.42 0.00 0.00 57.16 53.91 1jr5 n GLU 60 Cb 0.16 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 29.44 1jr5 n GLU 60 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1jr5 s LEU 61 N -1.59 4.36 0.33 -4.62 1.98 0.50 -4.96 118.68 114.69 1jr5 s LEU 61 Ca 0.35 0.97 0.08 0.00 -2.89 0.00 0.00 54.13 52.64 1jr5 s LEU 61 Cb 0.22 -2.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.26 1jr5 s LEU 61 CO 0.17 0.09 0.11 0.28 -1.89 0.00 0.00 176.35 175.11 1jr5 s THR 62 N 0.02 3.04 -0.64 3.68 -1.32 -1.26 -4.95 115.64 114.21 1jr5 s THR 62 Ca 0.28 -1.75 0.15 0.00 -1.21 0.00 0.00 61.69 59.15 1jr5 s THR 62 Cb -0.17 -2.95 0.15 0.00 -1.51 0.00 0.00 72.50 68.03 1jr5 s THR 62 CO 0.13 -0.21 1.46 0.00 -2.21 0.00 0.00 174.62 173.80 1jr5 n GLN 63 N -1.10 0.09 0.11 7.08 0.00 -1.26 -1.56 117.38 120.74 1jr5 n GLN 63 Ca -0.04 0.47 -0.21 0.00 0.00 0.00 0.00 57.00 57.22 1jr5 n GLN 63 Cb 0.61 -1.73 -0.15 0.00 0.00 0.00 0.00 30.24 28.97 1jr5 n GLN 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1jr5 h GLU 64 N 0.00 0.41 -0.68 2.61 3.07 -1.98 -0.86 114.58 117.14 1jr5 h GLU 64 Ca 0.00 -0.70 0.03 0.00 -0.50 0.00 0.00 59.36 58.19 1jr5 h GLU 64 Cb 0.14 0.26 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 1jr5 h GLU 64 CO 0.00 1.32 0.45 0.22 -1.40 0.00 0.00 179.01 179.60 1jr5 h ASP 65 N 0.11 0.72 -0.31 1.42 1.82 -1.68 0.33 116.42 118.83 1jr5 h ASP 65 Ca -0.25 -0.01 -0.09 0.00 -0.39 0.00 0.00 57.03 56.29 1jr5 h ASP 65 Cb 2.09 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.92 1jr5 h ASP 65 CO 0.22 0.50 -0.15 0.50 -1.61 0.00 0.00 179.24 178.70 1jr5 h LYS 66 N 0.84 0.65 0.76 0.28 3.64 -1.46 -0.69 116.57 120.60 1jr5 h LYS 66 Ca 0.27 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1jr5 h LYS 66 Cb 0.03 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1jr5 h LYS 66 CO -0.07 0.87 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.37 1jr5 h LYS 67 N 0.42 -1.02 -0.97 1.90 1.63 0.47 0.29 116.57 119.28 1jr5 h LYS 67 Ca 0.07 0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1jr5 h LYS 67 Cb 0.68 0.23 -0.05 0.00 -0.60 0.00 0.00 32.23 32.49 1jr5 h LYS 67 CO 0.05 -0.68 0.64 1.15 -3.45 0.00 0.00 179.45 177.16 1jr5 h THR 68 N -1.06 1.21 0.00 1.00 2.02 -0.46 -0.16 112.91 115.46 1jr5 h THR 68 Ca -0.10 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1jr5 h THR 68 Cb 0.83 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1jr5 h THR 68 CO 0.15 0.23 -0.17 0.17 0.37 0.00 0.00 175.52 176.27 1jr5 h LEU 69 N 1.28 0.00 -0.47 2.58 -0.00 -1.05 -2.93 115.31 114.71 1jr5 h LEU 69 Ca 0.37 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 58.08 1jr5 h LEU 69 Cb -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.57 1jr5 h LEU 69 CO -0.10 0.17 -0.69 0.40 -0.00 0.00 0.00 178.44 178.22 1jr5 h ILE 70 N 0.00 1.39 -1.51 0.15 2.04 0.54 0.21 117.51 120.33 1jr5 h ILE 70 Ca -0.00 -2.11 0.48 0.00 1.00 0.00 0.00 64.86 64.22 1jr5 h ILE 70 Cb 1.08 2.09 -0.11 0.00 -0.74 0.00 0.00 36.82 39.13 1jr5 h ILE 70 CO 0.02 0.63 1.02 -0.78 0.00 0.00 0.00 178.15 179.05 1jr5 h ASP 71 N 0.24 0.15 0.00 1.72 3.58 -0.87 0.62 116.42 121.87 1jr5 h ASP 71 Ca -0.02 0.09 -0.23 0.00 0.42 0.00 0.00 57.03 57.29 1jr5 h ASP 71 Cb 1.25 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 42.35 1jr5 h ASP 71 CO 0.12 -0.13 -1.88 -0.62 -2.88 0.00 0.00 179.24 173.84 1jr5 n GLU 72 N -4.45 1.00 -2.05 0.28 1.02 -1.17 -4.60 120.64 110.66 1jr5 n GLU 72 Ca 0.39 0.05 -0.38 0.00 -0.02 0.00 0.00 57.16 57.21 1jr5 n GLU 72 Cb 1.61 -1.32 0.01 0.00 -0.02 0.00 0.00 31.44 31.73 1jr5 n GLU 72 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1jr5 n PHE 73 N -2.77 2.65 0.00 -0.32 3.01 0.74 -4.91 117.46 115.85 1jr5 n PHE 73 Ca -0.25 -2.37 0.00 0.00 1.01 0.00 0.00 57.45 55.84 1jr5 n PHE 73 Cb 0.84 -1.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.02 1jr5 n PHE 73 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1jr5 n ASN 74 N 0.06 0.00 -0.86 4.37 3.02 0.19 -3.83 115.26 118.21 1jr5 n ASN 74 Ca 0.52 0.06 0.08 0.00 -0.03 0.00 0.00 54.58 55.21 1jr5 n ASN 74 Cb 0.29 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.69 1jr5 n ASN 74 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1jr5 n GLU 75 N -0.13 3.00 -0.46 3.52 0.28 -1.26 -4.52 120.64 121.06 1jr5 n GLU 75 Ca 0.00 -2.57 0.10 0.00 -0.16 0.00 0.00 57.16 54.53 1jr5 n GLU 75 Cb 0.00 -1.65 0.32 0.00 1.43 0.00 0.00 31.44 31.54 1jr5 n GLU 75 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jr5 n GLY 76 N -0.03 2.34 0.00 -1.84 0.00 -1.25 -4.27 105.19 100.13 1jr5 n GLY 76 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1jr5 n GLY 76 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jr5 n PHE 77 N 1.27 0.00 0.84 1.61 -1.74 -1.26 -4.81 117.46 113.37 1jr5 n PHE 77 Ca 0.23 -0.03 0.09 0.00 -0.56 0.00 0.00 57.45 57.18 1jr5 n PHE 77 Cb 0.70 -0.00 0.44 0.00 1.52 0.00 0.00 39.48 42.14 1jr5 n PHE 77 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1jr5 n GLU 78 N -0.03 0.27 -0.13 3.97 4.07 -1.26 -1.95 120.64 125.58 1jr5 n GLU 78 Ca 0.00 0.11 0.04 0.00 -0.06 0.00 0.00 57.16 57.25 1jr5 n GLU 78 Cb 0.32 -1.50 0.05 0.00 -0.06 0.00 0.00 31.44 30.25 1jr5 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jr5 n GLY 79 N 0.19 2.32 0.50 8.31 0.00 -1.26 -4.43 105.19 110.82 1jr5 n GLY 79 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1jr5 n GLY 79 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1jr5 n VAL 80 N -0.68 0.00 0.15 1.61 3.14 -1.07 -4.04 118.33 117.44 1jr5 n VAL 80 Ca 0.06 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.45 1jr5 n VAL 80 Cb 0.52 -0.78 0.22 0.00 -1.06 0.00 0.00 33.84 32.75 1jr5 n VAL 80 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 1jr5 h TYR 81 N 0.00 0.00 0.07 1.45 3.20 -1.69 -1.47 116.97 118.53 1jr5 h TYR 81 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 1jr5 h TYR 81 Cb 0.80 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.06 1jr5 h TYR 81 CO 0.00 0.55 -1.34 0.00 -1.64 0.00 0.00 178.16 175.73 1jr5 h ARG 82 N 0.00 0.15 0.18 1.82 2.47 -1.77 -3.35 114.38 113.88 1jr5 h ARG 82 Ca -0.01 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.45 1jr5 h ARG 82 Cb 1.02 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1jr5 h ARG 82 CO 0.07 1.03 -0.08 1.88 0.56 0.00 0.00 179.97 183.42 1jr5 h TYR 83 N 0.04 -0.22 -1.03 3.04 -1.99 -1.63 0.64 116.97 115.83 1jr5 h TYR 83 Ca -0.16 -0.01 0.30 0.00 2.00 0.00 0.00 58.73 60.87 1jr5 h TYR 83 Cb 1.94 0.07 -0.04 0.00 2.00 0.00 0.00 36.73 40.70 1jr5 h TYR 83 CO 0.04 -0.04 0.78 1.37 -0.00 0.00 0.00 178.16 180.31 1jr5 h LEU 84 N -0.36 0.00 0.00 3.88 8.10 -1.41 0.53 115.31 126.05 1jr5 h LEU 84 Ca -0.02 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.73 1jr5 h LEU 84 Cb 0.28 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.47 1jr5 h LEU 84 CO 0.04 0.00 -1.29 1.21 -4.11 0.00 0.00 178.44 174.29 1jr5 n GLU 85 N -4.11 0.56 -0.34 0.17 4.07 -0.94 -2.30 120.64 117.75 1jr5 n GLU 85 Ca 0.22 0.57 0.22 0.00 -0.06 0.00 0.00 57.16 58.11 1jr5 n GLU 85 Cb 1.13 -1.74 0.44 0.00 -0.06 0.00 0.00 31.44 31.21 1jr5 n GLU 85 CO 0.00 0.00 0.00 1.98 -0.06 0.00 0.00 177.13 179.05 1jr5 h MET 86 N -1.00 0.40 0.10 5.31 4.05 0.18 1.04 114.93 125.00 1jr5 h MET 86 Ca -0.36 -0.02 -0.34 0.00 -0.28 0.00 0.00 59.70 58.70 1jr5 h MET 86 Cb 1.31 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 1jr5 h MET 86 CO -0.22 0.27 -1.86 1.88 0.23 0.00 0.00 176.91 177.21 1jr5 h TYR 87 N 0.42 0.37 -2.59 1.39 0.05 -1.14 -3.42 116.97 112.04 1jr5 h TYR 87 Ca 0.70 -0.27 -0.59 0.00 0.05 0.00 0.00 58.73 58.63 1jr5 h TYR 87 Cb 1.51 -0.01 -0.39 0.00 1.01 0.00 0.00 36.73 38.85 1jr5 h TYR 87 CO -0.01 1.53 -0.87 0.95 -1.05 0.00 0.00 178.16 178.72 1jr5 s THR 88 N -2.58 0.50 0.17 -2.88 -4.23 -0.08 -4.76 115.64 101.79 1jr5 s THR 88 Ca -0.16 -2.26 -0.14 0.00 -1.18 0.00 0.00 61.69 57.96 1jr5 s THR 88 Cb 0.07 -1.36 -0.07 0.00 1.34 0.00 0.00 72.50 72.48 1jr5 s THR 88 CO 0.80 -1.06 0.56 0.54 -0.54 0.00 0.00 174.62 174.91 1jr5 s ASN 89 N 0.52 6.80 0.00 3.99 2.20 0.34 -3.80 114.94 124.99 1jr5 s ASN 89 Ca 0.23 1.06 0.18 0.00 -0.94 0.00 0.00 52.86 53.39 1jr5 s ASN 89 Cb -0.13 -2.28 0.14 0.00 -2.00 0.00 0.00 41.25 36.98 1jr5 s ASN 89 CO -0.07 0.06 1.06 2.29 -2.94 0.00 0.00 177.10 177.51