#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 1.40 -4.37 7.83 6.94 -1.26 -4.94 115.26 120.86 1jr5 n ASN 2 Ca 0.00 -2.92 -0.19 0.00 -0.02 0.00 0.00 54.58 51.45 1jr5 n ASN 2 Cb 0.00 -0.39 -0.10 0.00 -2.36 0.00 0.00 39.78 36.92 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 -1.82 1.43 0.22 -3.83 2.20 -1.26 -5.04 119.74 111.64 1jr5 s LYS 3 Ca 0.29 -1.73 -0.09 0.00 -0.36 0.00 0.00 55.97 54.08 1jr5 s LYS 3 Cb 0.29 -0.81 0.18 0.00 -1.51 0.00 0.00 37.83 35.97 1jr5 s LYS 3 CO -0.06 -0.06 1.87 -0.91 -0.36 0.00 0.00 175.35 175.83 1jr5 h ASN 4 N 2.38 0.96 -1.47 1.43 2.35 -1.92 -2.56 115.58 116.76 1jr5 h ASN 4 Ca -0.39 -0.05 0.45 0.00 -0.55 0.00 0.00 56.30 55.76 1jr5 h ASN 4 Cb 1.23 -0.24 -0.10 0.00 0.05 0.00 0.00 38.32 39.25 1jr5 h ASN 4 CO 0.66 0.73 1.00 -0.29 -1.65 0.00 0.00 177.43 177.87 1jr5 h ILE 5 N 1.11 0.15 0.07 2.81 2.10 -1.96 0.65 117.51 122.44 1jr5 h ILE 5 Ca 0.29 -0.02 -0.00 0.00 1.08 0.00 0.00 64.86 66.21 1jr5 h ILE 5 Cb -0.07 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 35.73 1jr5 h ILE 5 CO -0.06 0.01 -0.04 0.44 -1.08 0.00 0.00 178.15 177.43 1jr5 h ASP 6 N 0.07 -0.08 0.27 2.19 3.32 -1.86 0.29 116.42 120.61 1jr5 h ASP 6 Ca 0.81 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.86 1jr5 h ASP 6 Cb 2.81 0.02 0.00 0.00 0.22 0.00 0.00 39.33 42.38 1jr5 h ASP 6 CO -0.25 -0.03 0.00 0.74 -1.72 0.00 0.00 179.24 177.98 1jr5 h THR 7 N -0.17 0.00 0.00 0.35 2.02 -1.52 -1.28 112.91 112.31 1jr5 h THR 7 Ca -0.01 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1jr5 h THR 7 Cb 0.08 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1jr5 h THR 7 CO 0.02 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 176.44 1jr5 h VAL 8 N 0.00 0.00 -1.07 3.16 2.07 0.26 0.39 116.25 121.05 1jr5 h VAL 8 Ca 0.00 -0.91 0.29 0.00 0.82 0.00 0.00 66.70 66.89 1jr5 h VAL 8 Cb 0.13 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.81 1jr5 h VAL 8 CO 0.00 0.00 0.70 0.08 0.02 0.00 0.00 177.57 178.37 1jr5 h ARG 9 N -0.91 0.31 0.07 1.57 -0.00 -0.12 0.36 114.38 115.66 1jr5 h ARG 9 Ca 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.96 1jr5 h ARG 9 Cb 0.05 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 29.95 1jr5 h ARG 9 CO 0.00 0.20 -0.03 1.05 -0.00 0.00 0.00 179.97 181.19 1jr5 h GLU 10 N 0.32 -0.09 -0.54 0.08 4.11 -1.34 -2.14 114.58 114.99 1jr5 h GLU 10 Ca 0.60 0.01 0.11 0.00 0.07 0.00 0.00 59.36 60.15 1jr5 h GLU 10 Cb 1.67 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.84 1jr5 h GLU 10 CO -0.27 0.48 -0.15 0.82 0.07 0.00 0.00 179.01 179.97 1jr5 h ILE 11 N -0.85 0.44 0.87 -1.06 2.04 0.12 0.31 117.51 119.38 1jr5 h ILE 11 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1jr5 h ILE 11 Cb 0.62 0.44 0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1jr5 h ILE 11 CO 0.02 0.00 -0.45 0.16 0.00 0.00 0.00 178.15 177.88 1jr5 h ILE 12 N -0.01 0.00 -0.06 -0.67 3.07 -0.48 -1.36 117.51 118.00 1jr5 h ILE 12 Ca 0.26 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.69 1jr5 h ILE 12 Cb 0.41 0.00 -0.05 0.00 -0.27 0.00 0.00 36.82 36.90 1jr5 h ILE 12 CO -0.56 0.00 -0.49 0.74 -1.05 0.00 0.00 178.15 176.79 1jr5 h THR 13 N -1.21 0.00 -0.04 0.16 2.02 -0.84 0.81 112.91 113.82 1jr5 h THR 13 Ca -0.12 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1jr5 h THR 13 Cb 0.94 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1jr5 h THR 13 CO 0.18 0.00 -0.46 -0.37 0.37 0.00 0.00 175.52 175.23 1jr5 h VAL 14 N -0.57 0.00 -0.64 3.16 -1.51 -0.42 0.27 116.25 116.54 1jr5 h VAL 14 Ca 0.02 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 65.67 1jr5 h VAL 14 Cb 0.63 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.77 1jr5 h VAL 14 CO -0.36 0.00 0.54 0.00 -1.23 0.00 0.00 177.57 176.52 1jr5 h ALA 15 N -0.54 2.49 -0.03 5.19 0.00 -1.10 0.92 119.26 126.18 1jr5 h ALA 15 Ca 0.02 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1jr5 h ALA 15 Cb 0.61 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jr5 h ALA 15 CO -0.33 -0.87 -0.84 0.66 0.00 0.00 0.00 179.25 177.87 1jr5 h SER 16 N 0.00 0.45 -0.88 0.00 4.64 0.17 -1.35 113.55 116.58 1jr5 h SER 16 Ca 0.30 -0.33 0.03 0.00 -0.47 0.00 0.00 61.79 61.32 1jr5 h SER 16 Cb 1.38 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 1jr5 h SER 16 CO -0.00 1.11 0.57 0.40 -0.87 0.00 0.00 176.83 178.03 1jr5 h ILE 17 N 0.22 1.15 0.26 0.95 2.04 0.40 0.53 117.51 123.07 1jr5 h ILE 17 Ca -0.05 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1jr5 h ILE 17 Cb 1.44 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1jr5 h ILE 17 CO 0.14 0.20 -0.26 -0.07 0.00 0.00 0.00 178.15 178.16 1jr5 h LEU 18 N 1.11 -0.71 -1.96 1.44 3.38 -0.95 0.26 115.31 117.89 1jr5 h LEU 18 Ca 0.35 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.42 1jr5 h LEU 18 Cb -0.01 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1jr5 h LEU 18 CO -0.11 -0.38 0.13 0.40 0.09 0.00 0.00 178.44 178.56 1jr5 h ILE 19 N -0.56 0.94 -0.01 1.22 2.04 -0.26 1.02 117.51 121.90 1jr5 h ILE 19 Ca -0.01 -0.02 -0.17 0.00 1.00 0.00 0.00 64.86 65.67 1jr5 h ILE 19 Cb 0.52 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1jr5 h ILE 19 CO -0.06 0.01 -0.78 0.50 0.00 0.00 0.00 178.15 177.82 1jr5 h LYS 20 N 0.05 0.09 -0.88 2.37 3.11 0.13 -2.90 116.57 118.53 1jr5 h LYS 20 Ca 0.08 -0.09 -0.14 0.00 -2.81 0.00 0.00 60.65 57.70 1jr5 h LYS 20 Cb 0.26 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.43 1jr5 h LYS 20 CO -0.01 0.82 0.18 1.19 -2.81 0.00 0.00 179.45 178.82 1jr5 n PHE 21 N -3.67 1.41 -3.15 1.91 3.72 0.79 -4.84 117.46 113.63 1jr5 n PHE 21 Ca -0.02 -0.81 -0.23 0.00 -0.05 0.00 0.00 57.45 56.34 1jr5 n PHE 21 Cb 0.74 -0.48 0.04 0.00 -0.94 0.00 0.00 39.48 38.85 1jr5 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jr5 n SER 22 N -0.02 -6.18 -1.41 4.37 2.88 -1.02 -4.89 113.62 107.34 1jr5 n SER 22 Ca 0.24 -0.34 -0.08 0.00 -1.33 0.00 0.00 58.87 57.36 1jr5 n SER 22 Cb 0.96 -4.97 0.20 0.00 -0.75 0.00 0.00 64.21 59.65 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jr5 n ARG 23 N -4.24 2.03 0.23 -1.46 5.12 0.33 -4.65 116.66 114.02 1jr5 n ARG 23 Ca -0.09 -3.13 0.17 0.00 -1.93 0.00 0.00 57.85 52.87 1jr5 n ARG 23 Cb 0.61 -1.91 0.76 0.00 -1.16 0.00 0.00 32.46 30.76 1jr5 n ARG 23 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1jr5 h GLU 24 N 1.08 0.00 -0.57 5.56 5.08 -1.80 0.47 114.58 124.40 1jr5 h GLU 24 Ca 0.30 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1jr5 h GLU 24 Cb 1.94 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.16 1jr5 h GLU 24 CO 0.55 0.00 0.15 0.38 -1.00 0.00 0.00 179.01 179.09 1jr5 h ASP 25 N 0.00 0.81 0.54 1.42 2.03 -1.94 0.66 116.42 119.94 1jr5 h ASP 25 Ca 0.09 -0.14 -0.28 0.00 -0.73 0.00 0.00 57.03 55.96 1jr5 h ASP 25 Cb 0.90 -0.21 0.01 0.00 -0.83 0.00 0.00 39.33 39.20 1jr5 h ASP 25 CO -0.00 0.78 -1.27 0.40 -1.03 0.00 0.00 179.24 178.13 1jr5 h ILE 26 N 0.84 1.45 0.00 4.15 2.04 -0.45 -3.23 117.51 122.32 1jr5 h ILE 26 Ca 0.19 -2.95 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1jr5 h ILE 26 Cb 0.29 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.30 1jr5 h ILE 26 CO -0.00 0.87 0.00 0.58 0.00 0.00 0.00 178.15 179.59 1jr5 h VAL 27 N 0.10 0.00 -0.01 1.67 2.07 -0.99 -2.26 116.25 116.83 1jr5 h VAL 27 Ca -0.15 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1jr5 h VAL 27 Cb 1.98 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 1jr5 h VAL 27 CO 0.22 0.00 -0.19 -0.62 0.02 0.00 0.00 177.57 176.99 1jr5 n GLU 28 N -2.74 1.05 -4.55 1.57 1.02 0.23 -4.76 120.64 112.46 1jr5 n GLU 28 Ca 0.03 -0.62 -0.21 0.00 -0.02 0.00 0.00 57.16 56.34 1jr5 n GLU 28 Cb 0.41 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.37 1.46 0.13 1.62 2.47 -1.21 -4.74 114.94 112.30 1jr5 s ASN 29 Ca 0.28 -0.23 -0.18 0.00 0.42 0.00 0.00 52.86 53.14 1jr5 s ASN 29 Cb 0.20 -0.16 -0.04 0.00 -1.45 0.00 0.00 41.25 39.80 1jr5 s ASN 29 CO 0.47 0.15 1.78 0.03 -3.72 0.00 0.00 177.10 175.81 1jr5 h ARG 30 N 5.80 0.36 -0.21 0.43 -0.00 -1.86 0.22 114.38 119.11 1jr5 h ARG 30 Ca -0.33 -0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.14 1jr5 h ARG 30 Cb 1.17 -0.08 -0.02 0.00 0.00 0.00 0.00 29.97 31.04 1jr5 h ARG 30 CO 0.49 0.24 0.08 0.00 0.00 0.00 0.00 179.97 180.78 1jr5 h ALA 31 N 1.09 0.24 -0.38 0.04 0.00 -1.96 0.40 119.26 118.68 1jr5 h ALA 31 Ca 0.10 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1jr5 h ALA 31 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jr5 h ALA 31 CO -0.02 -0.34 -0.03 -0.91 0.00 0.00 0.00 179.25 177.94 1jr5 h ASN 32 N 0.18 0.70 -0.47 0.00 2.35 -1.75 0.42 115.58 117.00 1jr5 h ASN 32 Ca 0.09 -0.33 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1jr5 h ASN 32 Cb 0.05 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1jr5 h ASN 32 CO -0.09 0.86 0.30 0.15 -1.65 0.00 0.00 177.43 177.00 1jr5 h PHE 33 N 0.52 0.56 -0.11 1.19 3.04 0.06 0.45 116.94 122.65 1jr5 h PHE 33 Ca 0.10 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1jr5 h PHE 33 Cb 0.52 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.84 1jr5 h PHE 33 CO 0.04 0.34 0.04 0.82 -2.02 0.00 0.00 178.31 177.53 1jr5 h ILE 34 N 0.60 1.17 -0.80 1.41 2.04 -0.07 -1.53 117.51 120.33 1jr5 h ILE 34 Ca 0.18 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1jr5 h ILE 34 Cb -0.03 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1jr5 h ILE 34 CO -0.06 0.15 0.53 0.00 0.00 0.00 0.00 178.15 178.78 1jr5 h ALA 35 N 0.85 1.02 0.14 1.87 0.00 -0.60 -1.13 119.26 121.41 1jr5 h ALA 35 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1jr5 h ALA 35 Cb 0.21 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1jr5 h ALA 35 CO -0.00 0.43 -0.39 0.35 0.00 0.00 0.00 179.25 179.63 1jr5 h PHE 36 N 1.09 -1.10 -0.66 0.00 3.57 0.13 0.44 116.94 120.41 1jr5 h PHE 36 Ca 0.29 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.88 1jr5 h PHE 36 Cb -0.12 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 1jr5 h PHE 36 CO -0.02 -0.50 0.36 -0.07 -2.23 0.00 0.00 178.31 175.85 1jr5 h LEU 37 N -0.64 0.53 0.00 0.59 3.38 -0.98 -1.52 115.31 116.66 1jr5 h LEU 37 Ca 0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jr5 h LEU 37 Cb 0.66 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1jr5 h LEU 37 CO -0.22 0.34 -0.10 -0.46 0.09 0.00 0.00 178.44 178.10 1jr5 n ASN 38 N -4.80 0.17 -0.06 -0.43 0.23 -0.45 -1.21 115.26 108.70 1jr5 n ASN 38 Ca 0.08 0.38 -0.18 0.00 -0.53 0.00 0.00 54.58 54.34 1jr5 n ASN 38 Cb 0.18 -0.39 -0.13 0.00 -2.08 0.00 0.00 39.78 37.36 1jr5 n ASN 38 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1jr5 n GLU 39 N -1.58 0.70 0.10 -3.83 0.28 0.15 -4.37 120.64 112.08 1jr5 n GLU 39 Ca 0.07 0.19 -0.06 0.00 -0.16 0.00 0.00 57.16 57.20 1jr5 n GLU 39 Cb 0.35 -1.62 0.04 0.00 1.43 0.00 0.00 31.44 31.64 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 1.51 0.00 3.84 -2.65 -1.42 -3.48 117.51 115.34 1jr5 h ILE 40 Ca -0.49 -2.55 0.00 0.00 1.03 0.00 0.00 64.86 62.85 1jr5 h ILE 40 Cb 2.00 2.39 0.00 0.00 -2.05 0.00 0.00 36.82 39.16 1jr5 h ILE 40 CO 0.01 0.74 0.00 0.61 0.03 0.00 0.00 178.15 179.53 1jr5 n GLY 41 N 0.71 0.99 3.56 0.16 0.00 -1.19 -5.13 105.19 104.29 1jr5 n GLY 41 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.62 4.42 0.27 1.61 1.01 -0.35 -5.06 120.40 120.68 1jr5 s VAL 42 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1jr5 s VAL 42 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.34 1jr5 s VAL 42 CO 0.00 0.45 0.10 0.42 0.00 0.00 0.00 175.10 176.07 1jr5 s THR 43 N 0.58 0.59 -0.04 3.92 -4.23 -1.26 -4.12 115.64 111.09 1jr5 s THR 43 Ca 0.01 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.58 1jr5 s THR 43 Cb -0.13 -2.63 0.09 0.00 1.34 0.00 0.00 72.50 71.16 1jr5 s THR 43 CO 0.02 0.00 0.95 1.57 -0.54 0.00 0.00 174.62 176.62 1jr5 n HIS 44 N -0.51 0.00 0.00 3.99 -0.00 -1.14 -4.72 115.22 112.84 1jr5 n HIS 44 Ca -0.00 -0.39 0.00 0.00 0.46 0.00 0.00 57.72 57.79 1jr5 n HIS 44 Cb 0.66 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 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 -0.53 0.00 -1.18 1.57 0.28 -1.26 -4.91 120.64 114.61 1jr5 n GLU 45 Ca 0.05 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.99 1jr5 n GLU 45 Cb 0.57 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.41 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 0.82 3.12 -1.84 0.00 -1.26 -4.97 105.19 101.06 1jr5 n GLY 46 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1jr5 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jr5 s ARG 47 N -2.15 0.23 0.00 1.61 1.81 -1.26 -5.08 118.95 114.11 1jr5 s ARG 47 Ca 0.00 0.81 0.00 0.00 -1.72 0.00 0.00 55.73 54.82 1jr5 s ARG 47 Cb 0.00 0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.57 1jr5 s ARG 47 CO 0.00 -0.25 0.00 0.36 -0.68 0.00 0.00 175.30 174.73 1jr5 n LYS 48 N 5.11 2.04 -4.82 3.54 -0.00 -1.26 -2.91 118.16 119.86 1jr5 n LYS 48 Ca -0.11 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 57.95 1jr5 n LYS 48 Cb 0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.38 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 2.04 -0.09 -5.58 1.43 -1.26 -4.69 118.68 110.53 1jr5 s LEU 49 Ca 0.00 -0.33 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1jr5 s LEU 49 Cb 0.00 -0.90 -0.14 0.00 0.03 0.00 0.00 46.19 45.18 1jr5 s LEU 49 CO 0.00 0.21 0.08 -3.20 0.23 0.00 0.00 176.35 173.67 1jr5 n ASN 50 N 2.59 2.41 0.00 2.29 5.15 -1.26 -4.40 115.26 122.04 1jr5 n ASN 50 Ca -0.15 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1jr5 n ASN 50 Cb 0.54 0.91 0.00 0.00 -0.53 0.00 0.00 39.78 40.70 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jr5 n GLN 51 N -2.29 0.00 -0.08 1.20 1.13 -1.26 -4.91 117.38 111.17 1jr5 n GLN 51 Ca -0.14 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.80 1jr5 n GLN 51 Cb 0.73 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.93 1jr5 n GLN 51 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1jr5 n ASN 52 N 0.00 0.77 0.00 1.08 6.94 -1.26 -4.31 115.26 118.48 1jr5 n ASN 52 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.64 1jr5 n ASN 52 Cb 0.00 0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1jr5 n ASN 52 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1jr5 n SER 53 N -2.98 0.00 -0.28 0.53 2.88 -1.26 -0.84 113.62 111.67 1jr5 n SER 53 Ca -0.32 0.97 0.09 0.00 -1.33 0.00 0.00 58.87 58.28 1jr5 n SER 53 Cb 1.09 -0.47 0.22 0.00 -0.75 0.00 0.00 64.21 64.30 1jr5 n SER 53 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1jr5 h PHE 54 N 0.00 0.12 -0.89 0.66 3.57 -1.96 0.31 116.94 118.75 1jr5 h PHE 54 Ca 0.00 0.05 0.11 0.00 3.53 0.00 0.00 57.97 61.67 1jr5 h PHE 54 Cb 0.00 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 38.74 1jr5 h PHE 54 CO -0.58 -0.24 0.52 0.00 -2.23 0.00 0.00 178.31 175.79 1jr5 h ARG 55 N 0.15 0.81 0.00 1.11 3.08 -1.49 0.37 114.38 118.41 1jr5 h ARG 55 Ca 0.48 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.31 1jr5 h ARG 55 Cb 0.91 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1jr5 h ARG 55 CO -0.68 0.54 -0.81 0.87 -1.07 0.00 0.00 179.97 178.83 1jr5 h LYS 56 N 0.84 0.00 0.80 0.04 1.57 0.15 0.15 116.57 120.11 1jr5 h LYS 56 Ca 0.44 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.18 1jr5 h LYS 56 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 1jr5 h LYS 56 CO -0.27 0.81 -0.38 0.82 -0.57 0.00 0.00 179.45 179.85 1jr5 h ILE 57 N 0.00 0.00 -0.28 1.86 2.04 0.13 0.68 117.51 121.95 1jr5 h ILE 57 Ca -0.01 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1jr5 h ILE 57 Cb 1.49 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1jr5 h ILE 57 CO 0.10 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.82 1jr5 h VAL 58 N -1.13 1.18 -0.16 1.67 2.07 -0.42 0.70 116.25 120.15 1jr5 h VAL 58 Ca -0.11 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1jr5 h VAL 58 Cb 0.82 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1jr5 h VAL 58 CO 0.18 0.24 -0.05 -1.28 0.02 0.00 0.00 177.57 176.68 1jr5 h SER 59 N 0.40 0.21 -0.42 0.57 0.87 -0.47 -1.69 113.55 113.02 1jr5 h SER 59 Ca 0.09 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1jr5 h SER 59 Cb 0.30 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1jr5 h SER 59 CO 0.01 0.30 0.00 -0.62 -0.53 0.00 0.00 176.83 175.99 1jr5 n GLU 60 N -4.36 2.97 -3.15 2.24 1.02 0.21 -4.93 120.64 114.65 1jr5 n GLU 60 Ca -0.01 -2.36 -0.40 0.00 -0.02 0.00 0.00 57.16 54.37 1jr5 n GLU 60 Cb 0.20 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.08 1jr5 n GLU 60 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1jr5 s LEU 61 N -1.41 4.07 0.41 -4.62 1.98 0.23 -4.92 118.68 114.42 1jr5 s LEU 61 Ca 0.33 0.61 0.08 0.00 -2.89 0.00 0.00 54.13 52.26 1jr5 s LEU 61 Cb 0.20 -2.79 -0.03 0.00 0.66 0.00 0.00 46.19 44.24 1jr5 s LEU 61 CO 0.18 -0.36 0.33 0.28 -1.89 0.00 0.00 176.35 174.89 1jr5 s THR 62 N 2.45 2.62 -0.69 3.68 -1.32 -1.26 -4.91 115.64 116.22 1jr5 s THR 62 Ca 0.24 -1.42 0.13 0.00 -1.21 0.00 0.00 61.69 59.44 1jr5 s THR 62 Cb -0.15 -3.00 0.13 0.00 -1.51 0.00 0.00 72.50 67.96 1jr5 s THR 62 CO 0.09 -0.01 1.41 0.00 -2.21 0.00 0.00 174.62 173.90 1jr5 n GLN 63 N -1.47 0.07 0.12 7.08 10.64 -1.26 -1.59 117.38 130.97 1jr5 n GLN 63 Ca 0.02 0.47 -0.22 0.00 -1.83 0.00 0.00 57.00 55.44 1jr5 n GLN 63 Cb 0.62 -1.69 -0.15 0.00 -0.86 0.00 0.00 30.24 28.16 1jr5 n GLN 63 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1jr5 h GLU 64 N 0.00 0.45 -0.74 2.61 4.22 -1.98 -0.82 114.58 118.32 1jr5 h GLU 64 Ca 0.00 -0.78 0.04 0.00 0.08 0.00 0.00 59.36 58.71 1jr5 h GLU 64 Cb 0.12 0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1jr5 h GLU 64 CO 0.00 1.36 0.49 0.22 -2.18 0.00 0.00 179.01 178.90 1jr5 h ASP 65 N 0.12 0.74 -0.36 1.04 1.82 -1.69 0.35 116.42 118.46 1jr5 h ASP 65 Ca -0.25 -0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.30 1jr5 h ASP 65 Cb 2.12 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.95 1jr5 h ASP 65 CO 0.24 0.50 -0.14 0.50 -1.61 0.00 0.00 179.24 178.74 1jr5 h LYS 66 N 0.86 0.73 0.70 0.28 3.64 -1.47 -0.73 116.57 120.58 1jr5 h LYS 66 Ca 0.30 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1jr5 h LYS 66 Cb 0.12 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1jr5 h LYS 66 CO -0.09 0.91 -0.37 -0.22 -2.27 0.00 0.00 179.45 177.40 1jr5 h LYS 67 N 0.52 -0.95 -0.86 1.90 1.63 0.62 0.28 116.57 119.69 1jr5 h LYS 67 Ca 0.08 0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1jr5 h LYS 67 Cb 0.67 0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 32.47 1jr5 h LYS 67 CO 0.05 -0.64 0.50 1.15 -3.45 0.00 0.00 179.45 177.06 1jr5 h THR 68 N -0.99 1.24 0.00 1.00 2.02 -0.44 0.05 112.91 115.80 1jr5 h THR 68 Ca -0.09 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 1jr5 h THR 68 Cb 0.78 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1jr5 h THR 68 CO 0.13 0.26 -0.16 0.17 0.37 0.00 0.00 175.52 176.29 1jr5 h LEU 69 N 1.19 0.00 -0.33 2.58 -0.00 -1.07 -2.93 115.31 114.74 1jr5 h LEU 69 Ca 0.31 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.99 1jr5 h LEU 69 Cb -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1jr5 h LEU 69 CO -0.06 0.16 -0.77 0.40 -0.00 0.00 0.00 178.44 178.17 1jr5 h ILE 70 N 0.00 1.37 -1.44 0.15 2.04 0.32 0.54 117.51 120.49 1jr5 h ILE 70 Ca -0.00 -2.18 0.44 0.00 1.00 0.00 0.00 64.86 64.12 1jr5 h ILE 70 Cb 1.06 2.15 -0.09 0.00 -0.74 0.00 0.00 36.82 39.20 1jr5 h ILE 70 CO 0.02 0.66 0.99 -0.78 0.00 0.00 0.00 178.15 179.04 1jr5 h ASP 71 N 0.30 0.15 0.00 1.72 1.82 -0.81 0.87 116.42 120.46 1jr5 h ASP 71 Ca -0.04 0.07 -0.30 0.00 -0.39 0.00 0.00 57.03 56.37 1jr5 h ASP 71 Cb 1.37 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 41.38 1jr5 h ASP 71 CO 0.14 -0.07 -2.12 -0.62 -1.61 0.00 0.00 179.24 174.96 1jr5 n GLU 72 N -4.37 0.59 -2.14 0.28 4.71 -1.15 -4.58 120.64 113.98 1jr5 n GLU 72 Ca 0.35 0.10 -0.39 0.00 -0.01 0.00 0.00 57.16 57.22 1jr5 n GLU 72 Cb 1.50 -1.40 0.01 0.00 -1.01 0.00 0.00 31.44 30.54 1jr5 n GLU 72 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1jr5 n PHE 73 N -3.03 2.66 0.00 -0.32 3.01 0.19 -4.90 117.46 115.07 1jr5 n PHE 73 Ca -0.34 -2.43 0.00 0.00 1.01 0.00 0.00 57.45 55.69 1jr5 n PHE 73 Cb 0.89 -1.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 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 0.14 0.00 -0.83 4.37 4.13 0.27 -3.84 115.26 119.51 1jr5 n ASN 74 Ca 0.52 0.19 0.07 0.00 1.68 0.00 0.00 54.58 57.04 1jr5 n ASN 74 Cb 0.29 0.00 0.22 0.00 -1.54 0.00 0.00 39.78 38.75 1jr5 n ASN 74 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1jr5 n GLU 75 N -0.38 2.96 -0.32 3.52 -0.00 -1.26 -4.52 120.64 120.64 1jr5 n GLU 75 Ca 0.00 -2.56 0.11 0.00 -0.00 0.00 0.00 57.16 54.71 1jr5 n GLU 75 Cb 0.00 -1.64 0.29 0.00 -0.00 0.00 0.00 31.44 30.09 1jr5 n GLU 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jr5 n GLY 76 N -0.08 2.03 0.00 -1.84 0.00 -1.25 -4.27 105.19 99.78 1jr5 n GLY 76 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.42 0.00 0.99 1.61 -1.74 -1.26 -4.81 117.46 113.67 1jr5 n PHE 77 Ca 0.22 -0.04 0.09 0.00 -0.56 0.00 0.00 57.45 57.16 1jr5 n PHE 77 Cb 0.56 -0.00 0.50 0.00 1.52 0.00 0.00 39.48 42.05 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 -0.04 0.39 -0.18 3.97 4.07 -1.26 -1.95 120.64 125.64 1jr5 n GLU 78 Ca 0.00 0.07 0.03 0.00 -0.06 0.00 0.00 57.16 57.20 1jr5 n GLU 78 Cb 0.31 -1.50 0.05 0.00 -0.06 0.00 0.00 31.44 30.24 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 0.22 1.90 0.73 8.31 0.00 -1.26 -4.41 105.19 110.67 1jr5 n GLY 79 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.59 0.00 0.14 1.61 3.14 -1.08 -3.96 118.33 117.60 1jr5 n VAL 80 Ca 0.06 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.43 1jr5 n VAL 80 Cb 0.57 -0.93 0.20 0.00 -1.06 0.00 0.00 33.84 32.62 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 0.04 0.05 1.45 3.20 -1.70 0.82 116.97 120.83 1jr5 h TYR 81 Ca 0.00 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 1jr5 h TYR 81 Cb 0.79 -0.01 0.02 0.00 1.54 0.00 0.00 36.73 39.06 1jr5 h TYR 81 CO 0.00 0.59 -0.66 0.00 -1.64 0.00 0.00 178.16 176.45 1jr5 h ARG 82 N 0.03 0.37 -0.23 1.82 -0.00 -1.77 -3.11 114.38 111.48 1jr5 h ARG 82 Ca -0.00 -0.46 -0.09 0.00 -0.50 0.00 0.00 59.98 58.93 1jr5 h ARG 82 Cb 1.00 0.14 -0.01 0.00 0.00 0.00 0.00 29.97 31.10 1jr5 h ARG 82 CO 0.07 1.14 -0.24 1.88 0.00 0.00 0.00 179.97 182.83 1jr5 h TYR 83 N -0.20 0.47 -0.42 3.04 -1.99 -1.63 0.53 116.97 116.77 1jr5 h TYR 83 Ca -0.10 -0.09 -0.01 0.00 2.00 0.00 0.00 58.73 60.53 1jr5 h TYR 83 Cb 1.41 -0.12 -0.02 0.00 2.00 0.00 0.00 36.73 40.00 1jr5 h TYR 83 CO 0.16 0.64 0.24 1.25 -0.00 0.00 0.00 178.16 180.45 1jr5 h LEU 84 N 0.38 0.50 0.13 3.88 7.12 0.62 -2.50 115.31 125.45 1jr5 h LEU 84 Ca 0.06 -0.03 -0.33 0.00 0.13 0.00 0.00 57.88 57.71 1jr5 h LEU 84 Cb 0.63 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 1jr5 h LEU 84 CO 0.05 0.40 -1.76 -0.33 -0.13 0.00 0.00 178.44 176.67 1jr5 h GLU 85 N 0.58 0.27 -0.73 1.25 5.08 -1.31 -2.34 114.58 117.39 1jr5 h GLU 85 Ca 0.15 -0.47 0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1jr5 h GLU 85 Cb 0.00 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.30 1jr5 h GLU 85 CO -0.03 1.22 -0.09 0.52 -1.00 0.00 0.00 179.01 179.63 1jr5 h MET 86 N -0.09 0.04 0.00 2.33 2.86 0.25 -1.73 114.93 118.60 1jr5 h MET 86 Ca -0.37 -0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.02 1jr5 h MET 86 Cb 1.94 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.54 1jr5 h MET 86 CO 0.08 0.03 -1.65 0.66 1.06 0.00 0.00 176.91 177.08 1jr5 n TYR 87 N -5.42 0.89 -3.43 -0.22 4.01 -0.96 -4.79 117.16 107.25 1jr5 n TYR 87 Ca 0.11 0.31 -0.21 0.00 -0.16 0.00 0.00 57.90 57.95 1jr5 n TYR 87 Cb 0.41 -1.12 -0.11 0.00 -0.31 0.00 0.00 39.34 38.22 1jr5 n TYR 87 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1jr5 s THR 88 N -2.74 -0.25 0.02 -0.72 -4.23 -0.70 -4.58 115.64 102.43 1jr5 s THR 88 Ca -0.04 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 59.67 1jr5 s THR 88 Cb 0.08 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.97 1jr5 s THR 88 CO 0.82 -0.62 -0.03 0.21 -0.54 0.00 0.00 174.62 174.46 1jr5 s ASN 89 N 1.96 0.31 0.00 3.99 3.84 -0.88 -3.61 114.94 120.55 1jr5 s ASN 89 Ca 0.12 -0.34 0.14 0.00 0.21 0.00 0.00 52.86 52.98 1jr5 s ASN 89 Cb -0.16 0.05 0.11 0.00 -0.55 0.00 0.00 41.25 40.70 1jr5 s ASN 89 CO -0.24 -0.17 0.94 2.29 -2.79 0.00 0.00 177.10 177.13