#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 -4.94 7.83 4.13 -1.26 -5.12 115.26 115.89 1jr5 n ASN 2 Ca 0.00 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 1jr5 n ASN 2 Cb 0.00 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1jr5 s LYS 3 N -0.84 3.35 0.29 3.52 2.20 -1.26 -4.99 119.74 122.02 1jr5 s LYS 3 Ca 0.00 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1jr5 s LYS 3 Cb 0.00 -2.62 0.53 0.00 -1.51 0.00 0.00 37.83 34.23 1jr5 s LYS 3 CO 0.00 -0.00 1.89 -0.91 -0.36 0.00 0.00 175.35 175.97 1jr5 h ASN 4 N 0.62 0.92 -1.79 1.43 4.21 -1.96 -2.54 115.58 116.47 1jr5 h ASN 4 Ca -0.48 0.02 0.55 0.00 1.21 0.00 0.00 56.30 57.59 1jr5 h ASN 4 Cb 1.23 -0.18 -0.10 0.00 -1.12 0.00 0.00 38.32 38.15 1jr5 h ASN 4 CO 0.60 0.57 1.25 -0.29 -1.29 0.00 0.00 177.43 178.27 1jr5 h ILE 5 N 1.04 0.00 0.13 2.81 2.10 -1.94 0.48 117.51 122.13 1jr5 h ILE 5 Ca 0.42 -0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.35 1jr5 h ILE 5 Cb 0.27 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.00 1jr5 h ILE 5 CO -0.17 0.00 -0.06 0.44 -1.08 0.00 0.00 178.15 177.27 1jr5 h ASP 6 N 0.00 -0.15 0.07 2.19 3.32 -1.86 -0.83 116.42 119.17 1jr5 h ASP 6 Ca 0.93 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.98 1jr5 h ASP 6 Cb 3.49 0.04 0.00 0.00 0.22 0.00 0.00 39.33 43.07 1jr5 h ASP 6 CO -0.17 0.21 0.00 0.74 -1.72 0.00 0.00 179.24 178.30 1jr5 h THR 7 N -0.81 0.00 0.07 0.35 2.02 -1.38 -0.89 112.91 112.27 1jr5 h THR 7 Ca -0.02 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1jr5 h THR 7 Cb 0.13 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1jr5 h THR 7 CO 0.03 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.47 1jr5 h VAL 8 N 0.00 0.00 -0.94 3.16 2.07 -0.15 -0.36 116.25 120.02 1jr5 h VAL 8 Ca 0.00 -0.89 0.23 0.00 0.82 0.00 0.00 66.70 66.87 1jr5 h VAL 8 Cb 0.04 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.74 1jr5 h VAL 8 CO 0.00 0.00 0.63 0.08 0.02 0.00 0.00 177.57 178.30 1jr5 h ARG 9 N -0.98 0.30 -0.01 1.57 -0.00 -0.71 0.25 114.38 114.80 1jr5 h ARG 9 Ca -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.98 59.93 1jr5 h ARG 9 Cb 0.07 -0.07 0.00 0.00 -0.00 0.00 0.00 29.97 29.98 1jr5 h ARG 9 CO 0.02 0.20 -0.09 1.05 -0.00 0.00 0.00 179.97 181.14 1jr5 h GLU 10 N 0.31 0.08 -0.37 0.08 4.11 -1.26 -1.85 114.58 115.67 1jr5 h GLU 10 Ca 0.49 -0.07 0.08 0.00 0.07 0.00 0.00 59.36 59.93 1jr5 h GLU 10 Cb 1.40 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.59 1jr5 h GLU 10 CO -0.16 0.79 -0.20 0.82 0.07 0.00 0.00 179.01 180.33 1jr5 h ILE 11 N -0.62 0.42 0.56 -1.06 2.04 0.93 0.42 117.51 120.21 1jr5 h ILE 11 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1jr5 h ILE 11 Cb 0.82 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1jr5 h ILE 11 CO 0.02 0.00 -0.31 0.16 0.00 0.00 0.00 178.15 178.02 1jr5 h ILE 12 N -0.14 0.36 0.19 -0.67 3.07 -0.71 -1.60 117.51 118.02 1jr5 h ILE 12 Ca 0.18 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.59 1jr5 h ILE 12 Cb 0.42 0.36 -0.02 0.00 -0.27 0.00 0.00 36.82 37.31 1jr5 h ILE 12 CO -0.46 0.00 -0.33 0.74 -1.05 0.00 0.00 178.15 177.06 1jr5 h THR 13 N -0.81 0.00 -0.33 0.16 2.02 -0.78 -0.47 112.91 112.70 1jr5 h THR 13 Ca -0.07 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.15 1jr5 h THR 13 Cb 0.65 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.98 1jr5 h THR 13 CO 0.09 0.00 -0.53 -0.37 0.37 0.00 0.00 175.52 175.09 1jr5 h VAL 14 N -0.55 0.00 -0.96 3.16 -1.51 -0.20 0.27 116.25 116.46 1jr5 h VAL 14 Ca -0.02 0.00 0.23 0.00 -1.23 0.00 0.00 66.70 65.67 1jr5 h VAL 14 Cb 0.51 0.00 -0.07 0.00 -2.13 0.00 0.00 31.29 29.60 1jr5 h VAL 14 CO -0.11 0.00 0.63 0.00 -1.23 0.00 0.00 177.57 176.85 1jr5 h ALA 15 N -0.18 2.23 -0.19 5.19 0.00 -1.25 0.88 119.26 125.95 1jr5 h ALA 15 Ca 0.06 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1jr5 h ALA 15 Cb 0.58 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jr5 h ALA 15 CO -0.53 -0.56 -0.41 0.66 0.00 0.00 0.00 179.25 178.42 1jr5 h SER 16 N 0.40 0.46 -0.71 0.00 4.64 0.97 -1.35 113.55 117.96 1jr5 h SER 16 Ca 0.51 -0.20 0.05 0.00 -0.47 0.00 0.00 61.79 61.68 1jr5 h SER 16 Cb 1.30 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.21 1jr5 h SER 16 CO -0.21 0.82 0.43 0.40 -0.87 0.00 0.00 176.83 177.40 1jr5 h ILE 17 N 0.36 1.04 0.14 0.95 2.04 0.39 0.16 117.51 122.59 1jr5 h ILE 17 Ca 0.03 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1jr5 h ILE 17 Cb 0.87 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1jr5 h ILE 17 CO 0.07 0.15 -0.22 -0.07 0.00 0.00 0.00 178.15 178.09 1jr5 h LEU 18 N 0.81 -0.60 -1.57 1.44 3.38 -0.69 0.98 115.31 119.07 1jr5 h LEU 18 Ca 0.30 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.43 1jr5 h LEU 18 Cb 0.11 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1jr5 h LEU 18 CO -0.15 -0.31 0.43 -0.29 0.09 0.00 0.00 178.44 178.21 1jr5 h ILE 19 N -0.42 0.92 0.00 1.22 2.10 -0.32 0.99 117.51 122.00 1jr5 h ILE 19 Ca 0.02 -0.17 -0.16 0.00 1.08 0.00 0.00 64.86 65.63 1jr5 h ILE 19 Cb 0.43 0.38 -0.02 0.00 -1.09 0.00 0.00 36.82 36.52 1jr5 h ILE 19 CO -0.10 0.09 -0.75 0.50 -1.08 0.00 0.00 178.15 176.81 1jr5 h LYS 20 N 0.49 0.00 -0.98 2.19 3.64 0.11 -2.95 116.57 119.06 1jr5 h LYS 20 Ca 0.29 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.43 1jr5 h LYS 20 Cb 0.49 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.17 1jr5 h LYS 20 CO -0.09 0.75 0.30 1.19 -2.27 0.00 0.00 179.45 179.33 1jr5 n PHE 21 N -3.61 1.50 -2.68 1.91 3.72 0.26 -4.82 117.46 113.74 1jr5 n PHE 21 Ca -0.01 -1.11 -0.20 0.00 -0.05 0.00 0.00 57.45 56.09 1jr5 n PHE 21 Cb 0.73 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.27 -5.28 -1.25 4.37 2.88 -1.07 -4.86 113.62 108.13 1jr5 n SER 22 Ca 0.29 -0.08 -0.02 0.00 -1.33 0.00 0.00 58.87 57.72 1jr5 n SER 22 Cb 1.06 -4.37 0.23 0.00 -0.75 0.00 0.00 64.21 60.38 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 -3.32 2.39 0.33 -1.46 5.12 0.32 -4.61 116.66 115.43 1jr5 n ARG 23 Ca -0.16 -3.05 0.18 0.00 -1.93 0.00 0.00 57.85 52.89 1jr5 n ARG 23 Cb 0.64 -1.90 0.98 0.00 -1.16 0.00 0.00 32.46 31.02 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 1.40 0.00 -0.37 5.56 4.81 -1.77 0.39 114.58 124.60 1jr5 h GLU 24 Ca 0.20 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1jr5 h GLU 24 Cb 1.77 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 1jr5 h GLU 24 CO 0.44 0.00 -0.02 0.22 -0.73 0.00 0.00 179.01 178.92 1jr5 h ASP 25 N 0.00 0.56 0.21 1.04 3.58 -1.93 0.64 116.42 120.52 1jr5 h ASP 25 Ca 0.00 -0.12 -0.32 0.00 0.42 0.00 0.00 57.03 57.01 1jr5 h ASP 25 Cb 0.36 -0.15 0.04 0.00 1.72 0.00 0.00 39.33 41.30 1jr5 h ASP 25 CO 0.00 0.65 -1.39 0.40 -2.88 0.00 0.00 179.24 176.02 1jr5 h ILE 26 N 0.56 1.29 0.00 2.25 2.04 -0.62 -3.18 117.51 119.85 1jr5 h ILE 26 Ca 0.12 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1jr5 h ILE 26 Cb 0.39 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1jr5 h ILE 26 CO 0.02 0.79 0.00 0.58 0.00 0.00 0.00 178.15 179.53 1jr5 h VAL 27 N 0.17 0.00 -0.19 1.67 2.07 -1.01 -2.40 116.25 116.57 1jr5 h VAL 27 Ca -0.23 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1jr5 h VAL 27 Cb 2.08 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1jr5 h VAL 27 CO 0.26 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.23 1jr5 n GLU 28 N -2.88 1.82 -4.21 1.57 1.02 0.22 -4.67 120.64 113.51 1jr5 n GLU 28 Ca 0.01 -1.23 -0.17 0.00 -0.02 0.00 0.00 57.16 55.75 1jr5 n GLU 28 Cb 0.30 -1.41 -0.11 0.00 -0.02 0.00 0.00 31.44 30.20 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 -1.56 1.81 -0.00 1.62 3.84 -1.13 -4.77 114.94 114.76 1jr5 s ASN 29 Ca 0.33 -0.77 -0.15 0.00 0.21 0.00 0.00 52.86 52.48 1jr5 s ASN 29 Cb 0.18 -0.05 -0.08 0.00 -0.55 0.00 0.00 41.25 40.75 1jr5 s ASN 29 CO 0.27 -0.15 0.85 0.03 -2.79 0.00 0.00 177.10 175.30 1jr5 h ARG 30 N 3.70 -0.53 -0.82 0.43 -0.00 -1.86 -1.09 114.38 114.20 1jr5 h ARG 30 Ca -0.40 0.04 0.13 0.00 -0.50 0.00 0.00 59.98 59.25 1jr5 h ARG 30 Cb 1.19 0.12 -0.06 0.00 0.00 0.00 0.00 29.97 31.22 1jr5 h ARG 30 CO 0.49 -0.35 0.54 0.00 0.00 0.00 0.00 179.97 180.64 1jr5 h ALA 31 N -1.50 1.90 0.71 0.04 0.00 -1.94 -0.10 119.26 118.36 1jr5 h ALA 31 Ca -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jr5 h ALA 31 Cb 0.42 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1jr5 h ALA 31 CO 0.09 -0.11 -0.34 -0.91 0.00 0.00 0.00 179.25 177.98 1jr5 h ASN 32 N 0.61 -0.80 -0.41 0.00 2.35 -1.78 0.31 115.58 115.85 1jr5 h ASN 32 Ca 0.40 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 56.27 1jr5 h ASN 32 Cb 0.69 0.21 -0.09 0.00 0.05 0.00 0.00 38.32 39.18 1jr5 h ASN 32 CO -0.16 -0.55 -0.18 0.15 -1.65 0.00 0.00 177.43 175.04 1jr5 h PHE 33 N -1.01 -0.44 0.22 1.19 3.04 -0.67 0.37 116.94 119.64 1jr5 h PHE 33 Ca -0.10 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.89 1jr5 h PHE 33 Cb 0.73 0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 1jr5 h PHE 33 CO 0.05 -0.26 -0.14 0.82 -2.02 0.00 0.00 178.31 176.76 1jr5 h ILE 34 N -0.10 0.69 -0.31 1.41 2.04 -1.03 -1.38 117.51 118.83 1jr5 h ILE 34 Ca 0.20 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.13 1jr5 h ILE 34 Cb 0.41 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 37.11 1jr5 h ILE 34 CO -0.48 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 177.52 1jr5 h ALA 35 N 0.41 0.09 -0.43 1.87 0.00 0.32 -1.27 119.26 120.24 1jr5 h ALA 35 Ca -0.02 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1jr5 h ALA 35 Cb 0.30 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1jr5 h ALA 35 CO 0.02 -0.55 -0.36 0.35 0.00 0.00 0.00 179.25 178.71 1jr5 h PHE 36 N -0.11 -1.00 -0.60 0.00 3.57 -0.03 0.31 116.94 119.07 1jr5 h PHE 36 Ca 0.16 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.79 1jr5 h PHE 36 Cb 0.36 0.50 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 1jr5 h PHE 36 CO -0.36 -0.40 0.29 -0.07 -2.23 0.00 0.00 178.31 175.54 1jr5 h LEU 37 N -0.26 0.38 0.00 0.59 3.38 -0.53 -1.21 115.31 117.66 1jr5 h LEU 37 Ca 0.17 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1jr5 h LEU 37 Cb 0.55 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1jr5 h LEU 37 CO -0.57 0.24 -0.08 -0.46 0.09 0.00 0.00 178.44 177.66 1jr5 n ASN 38 N -4.89 0.16 -0.08 -0.43 6.94 -0.51 -0.85 115.26 115.60 1jr5 n ASN 38 Ca 0.08 0.40 -0.14 0.00 -0.02 0.00 0.00 54.58 54.89 1jr5 n ASN 38 Cb 0.21 -0.41 -0.14 0.00 -2.36 0.00 0.00 39.78 37.07 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 -1.59 0.68 0.09 -3.83 0.28 0.98 -4.38 120.64 112.88 1jr5 n GLU 39 Ca 0.07 0.13 -0.06 0.00 -0.16 0.00 0.00 57.16 57.14 1jr5 n GLU 39 Cb 0.35 -1.59 -0.00 0.00 1.43 0.00 0.00 31.44 31.62 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 0.01 1.58 0.00 3.84 -2.65 -1.37 -3.48 117.51 115.44 1jr5 h ILE 40 Ca -0.50 -2.82 0.00 0.00 1.03 0.00 0.00 64.86 62.57 1jr5 h ILE 40 Cb 2.06 2.54 0.00 0.00 -2.05 0.00 0.00 36.82 39.37 1jr5 h ILE 40 CO 0.01 0.81 0.00 0.61 0.03 0.00 0.00 178.15 179.61 1jr5 n GLY 41 N 0.90 0.98 3.81 0.16 0.00 -1.21 -5.13 105.19 104.69 1jr5 n GLY 41 Ca -0.01 0.00 -0.36 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 -1.85 5.04 0.25 1.61 1.01 -0.03 -5.06 120.40 121.38 1jr5 s VAL 42 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1jr5 s VAL 42 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1jr5 s VAL 42 CO 0.00 0.58 0.44 0.42 0.00 0.00 0.00 175.10 176.54 1jr5 s THR 43 N -1.01 0.00 -0.02 3.92 -4.23 -1.26 -4.02 115.64 109.02 1jr5 s THR 43 Ca 0.16 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.20 1jr5 s THR 43 Cb -0.12 -2.30 0.05 0.00 1.34 0.00 0.00 72.50 71.47 1jr5 s THR 43 CO 0.05 0.00 0.85 1.57 -0.54 0.00 0.00 174.62 176.55 1jr5 n HIS 44 N -0.39 0.00 0.00 3.99 -0.00 -1.18 -4.62 115.22 113.03 1jr5 n HIS 44 Ca -0.01 -0.32 0.00 0.00 0.46 0.00 0.00 57.72 57.85 1jr5 n HIS 44 Cb 0.62 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.44 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 -0.39 0.00 -1.14 1.57 0.28 -1.26 -4.91 120.64 114.79 1jr5 n GLU 45 Ca 0.03 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.98 1jr5 n GLU 45 Cb 0.48 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.33 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 0.68 2.86 -1.84 0.00 -1.26 -4.97 105.19 100.65 1jr5 n GLY 46 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.86 0.05 0.00 1.61 0.52 -1.26 -5.08 118.95 112.93 1jr5 s ARG 47 Ca 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1jr5 s ARG 47 Cb 0.00 -0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.22 1jr5 s ARG 47 CO 0.00 -0.25 0.00 0.36 0.02 0.00 0.00 175.30 175.43 1jr5 n LYS 48 N 4.88 2.50 -4.13 3.54 -0.00 -1.26 -3.08 118.16 120.60 1jr5 n LYS 48 Ca -0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.05 1jr5 n LYS 48 Cb 0.50 0.00 -0.11 0.00 -0.00 0.00 0.00 35.03 35.43 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 2.37 -0.09 -5.58 1.43 -1.26 -4.73 118.68 110.82 1jr5 s LEU 49 Ca 0.00 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1jr5 s LEU 49 Cb 0.00 -0.18 -0.06 0.00 0.03 0.00 0.00 46.19 45.99 1jr5 s LEU 49 CO 0.00 -0.30 -0.08 -3.20 0.23 0.00 0.00 176.35 173.00 1jr5 n ASN 50 N 0.76 3.01 0.00 2.29 2.85 -1.26 -4.57 115.26 118.34 1jr5 n ASN 50 Ca -0.18 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.26 1jr5 n ASN 50 Cb 0.57 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.44 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 -2.83 0.00 -0.03 1.20 1.13 -1.26 -4.82 117.38 110.77 1jr5 n GLN 51 Ca -0.16 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.69 1jr5 n GLN 51 Cb 0.66 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.88 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 2.09 -0.34 1.08 2.85 -1.26 -4.33 115.26 115.35 1jr5 n ASN 52 Ca 0.00 0.16 0.16 0.00 -0.11 0.00 0.00 54.58 54.80 1jr5 n ASN 52 Cb 0.00 -0.79 0.32 0.00 1.24 0.00 0.00 39.78 40.55 1jr5 n ASN 52 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1jr5 h SER 53 N -0.01 -0.37 0.89 1.20 0.02 -1.94 0.05 113.55 113.37 1jr5 h SER 53 Ca -0.45 0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1jr5 h SER 53 Cb 1.97 0.46 0.01 0.00 0.14 0.00 0.00 62.40 64.97 1jr5 h SER 53 CO 0.03 -0.36 -0.43 0.15 -1.14 0.00 0.00 176.83 175.09 1jr5 h PHE 54 N 0.02 -1.10 -0.95 3.45 3.04 -1.97 0.43 116.94 119.85 1jr5 h PHE 54 Ca 0.62 -0.03 0.25 0.00 3.98 0.00 0.00 57.97 62.79 1jr5 h PHE 54 Cb 1.34 0.37 -0.06 0.00 2.56 0.00 0.00 35.95 40.15 1jr5 h PHE 54 CO -0.44 -0.68 0.65 0.00 -2.02 0.00 0.00 178.31 175.82 1jr5 h ARG 55 N -1.26 0.24 0.00 1.11 3.08 -1.25 0.57 114.38 116.86 1jr5 h ARG 55 Ca -0.12 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.73 1jr5 h ARG 55 Cb 0.92 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 1jr5 h ARG 55 CO 0.20 0.16 -1.03 0.87 -1.07 0.00 0.00 179.97 179.10 1jr5 h LYS 56 N 0.25 0.00 -0.20 0.04 1.57 -0.86 -0.20 116.57 117.16 1jr5 h LYS 56 Ca 0.49 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1jr5 h LYS 56 Cb 1.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 1jr5 h LYS 56 CO -0.14 0.67 0.05 0.97 -0.57 0.00 0.00 179.45 180.44 1jr5 h ILE 57 N 0.00 0.92 0.06 1.86 2.10 0.48 0.32 117.51 123.25 1jr5 h ILE 57 Ca -0.07 -0.05 -0.15 0.00 1.08 0.00 0.00 64.86 65.67 1jr5 h ILE 57 Cb 1.67 0.78 0.01 0.00 -1.09 0.00 0.00 36.82 38.20 1jr5 h ILE 57 CO 0.09 0.02 -0.62 -0.37 -1.08 0.00 0.00 178.15 176.20 1jr5 h VAL 58 N 0.13 1.50 -0.13 2.19 -1.51 -1.32 -2.65 116.25 114.45 1jr5 h VAL 58 Ca 0.09 -2.27 0.04 0.00 -1.23 0.00 0.00 66.70 63.33 1jr5 h VAL 58 Cb 0.08 2.91 -0.01 0.00 -2.13 0.00 0.00 31.29 32.14 1jr5 h VAL 58 CO -0.11 0.64 0.15 -1.28 -1.23 0.00 0.00 177.57 175.75 1jr5 h SER 59 N -0.30 0.00 0.14 4.19 0.87 -0.86 0.37 113.55 117.96 1jr5 h SER 59 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1jr5 h SER 59 Cb 1.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 1jr5 h SER 59 CO 0.12 0.00 -0.56 -0.62 -0.53 0.00 0.00 176.83 175.23 1jr5 n GLU 60 N -3.78 0.59 -3.40 2.24 1.02 0.11 -4.89 120.64 112.54 1jr5 n GLU 60 Ca 0.00 -0.44 -0.36 0.00 -0.02 0.00 0.00 57.16 56.34 1jr5 n GLU 60 Cb 0.26 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.71 4.40 0.45 -4.62 0.20 0.13 -5.04 118.68 111.49 1jr5 s LEU 61 Ca 0.16 1.05 0.05 0.00 0.69 0.00 0.00 54.13 56.09 1jr5 s LEU 61 Cb 0.18 -3.03 -0.04 0.00 -0.43 0.00 0.00 46.19 42.87 1jr5 s LEU 61 CO 0.66 0.19 0.10 0.28 -0.29 0.00 0.00 176.35 177.29 1jr5 s THR 62 N -1.31 1.83 -0.19 3.68 -1.32 -1.26 -4.91 115.64 112.15 1jr5 s THR 62 Ca 0.33 -1.86 0.22 0.00 -1.21 0.00 0.00 61.69 59.17 1jr5 s THR 62 Cb -0.16 -2.69 0.22 0.00 -1.51 0.00 0.00 72.50 68.36 1jr5 s THR 62 CO 0.18 0.00 1.67 0.00 -2.21 0.00 0.00 174.62 174.25 1jr5 n GLN 63 N -1.21 0.14 0.08 7.08 10.64 -1.26 -1.79 117.38 131.06 1jr5 n GLN 63 Ca -0.07 0.64 -0.23 0.00 -1.83 0.00 0.00 57.00 55.51 1jr5 n GLN 63 Cb 0.66 -1.96 -0.15 0.00 -0.86 0.00 0.00 30.24 27.93 1jr5 n GLN 63 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1jr5 h GLU 64 N 0.00 0.40 -0.65 2.61 4.39 -1.98 -0.70 114.58 118.65 1jr5 h GLU 64 Ca 0.00 -0.69 -0.01 0.00 0.34 0.00 0.00 59.36 59.00 1jr5 h GLU 64 Cb 0.00 0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1jr5 h GLU 64 CO 0.00 1.33 0.38 0.22 -1.16 0.00 0.00 179.01 179.78 1jr5 h ASP 65 N 0.00 0.79 0.49 1.42 1.82 -1.74 0.71 116.42 119.91 1jr5 h ASP 65 Ca -0.30 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.27 1jr5 h ASP 65 Cb 2.02 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.84 1jr5 h ASP 65 CO 0.18 0.62 -0.24 0.50 -1.61 0.00 0.00 179.24 178.70 1jr5 h LYS 66 N 0.90 -0.63 -0.99 0.28 3.64 -1.49 -0.87 116.57 117.41 1jr5 h LYS 66 Ca 0.23 0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.83 1jr5 h LYS 66 Cb -0.01 0.14 -0.17 0.00 -0.41 0.00 0.00 32.23 31.78 1jr5 h LYS 66 CO -0.04 -0.42 -0.33 1.17 -2.27 0.00 0.00 179.45 177.56 1jr5 n LYS 67 N -3.80 -0.17 0.04 1.90 3.00 -0.27 0.12 118.16 118.98 1jr5 n LYS 67 Ca -0.08 1.54 0.03 0.00 -0.00 0.00 0.00 58.31 59.80 1jr5 n LYS 67 Cb 0.26 -2.29 0.41 0.00 0.00 0.00 0.00 35.03 33.42 1jr5 n LYS 67 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1jr5 h THR 68 N 0.00 1.12 0.00 3.15 2.02 -0.80 0.14 112.91 118.54 1jr5 h THR 68 Ca 0.40 -0.36 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 1jr5 h THR 68 Cb 0.65 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1jr5 h THR 68 CO -1.00 0.14 -0.34 0.25 0.37 0.00 0.00 175.52 174.95 1jr5 h LEU 69 N 0.45 0.00 -0.22 2.58 7.12 0.25 -3.08 115.31 122.41 1jr5 h LEU 69 Ca 0.12 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.94 1jr5 h LEU 69 Cb 0.07 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.18 1jr5 h LEU 69 CO -0.01 0.34 -0.86 0.40 -0.13 0.00 0.00 178.44 178.17 1jr5 h ILE 70 N 0.00 1.59 -1.08 4.05 2.04 0.22 0.95 117.51 125.28 1jr5 h ILE 70 Ca -0.00 -2.99 0.30 0.00 1.00 0.00 0.00 64.86 63.16 1jr5 h ILE 70 Cb 1.18 2.62 -0.07 0.00 -0.74 0.00 0.00 36.82 39.81 1jr5 h ILE 70 CO 0.04 0.85 0.74 -0.78 0.00 0.00 0.00 178.15 179.00 1jr5 h ASP 71 N 0.00 0.24 0.00 1.72 3.58 -0.73 0.84 116.42 122.06 1jr5 h ASP 71 Ca -0.01 0.05 -0.23 0.00 0.42 0.00 0.00 57.03 57.26 1jr5 h ASP 71 Cb 1.56 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 42.57 1jr5 h ASP 71 CO 0.11 0.04 -1.88 -0.62 -2.88 0.00 0.00 179.24 174.02 1jr5 n GLU 72 N -4.43 1.21 -1.79 0.28 1.02 -1.21 -4.57 120.64 111.15 1jr5 n GLU 72 Ca 0.25 0.04 -0.37 0.00 -0.02 0.00 0.00 57.16 57.06 1jr5 n GLU 72 Cb 1.03 -1.32 0.05 0.00 -0.02 0.00 0.00 31.44 31.18 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 -2.71 3.07 0.00 -0.32 3.01 0.32 -4.90 117.46 115.94 1jr5 n PHE 73 Ca -0.24 -2.56 0.00 0.00 1.01 0.00 0.00 57.45 55.65 1jr5 n PHE 73 Cb 0.85 -1.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.14 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 -0.65 0.00 -1.24 4.37 4.13 0.28 -3.74 115.26 118.42 1jr5 n ASN 74 Ca 0.55 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.88 1jr5 n ASN 74 Cb 0.39 0.00 0.25 0.00 -1.54 0.00 0.00 39.78 38.89 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 0.00 3.05 -0.43 3.52 0.28 -1.26 -4.07 120.64 121.73 1jr5 n GLU 75 Ca 0.00 -2.00 0.08 0.00 -0.16 0.00 0.00 57.16 55.08 1jr5 n GLU 75 Cb 0.00 -1.77 0.26 0.00 1.43 0.00 0.00 31.44 31.36 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 0.77 3.29 0.00 -1.84 0.00 -1.25 -4.51 105.19 101.66 1jr5 n GLY 76 Ca 0.18 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.25 0.00 0.59 1.61 -1.74 -1.25 -4.84 117.46 112.08 1jr5 n PHE 77 Ca 0.20 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 57.16 1jr5 n PHE 77 Cb 0.77 0.01 0.33 0.00 1.52 0.00 0.00 39.48 42.11 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 0.00 0.13 -0.09 3.97 2.13 -1.26 -1.64 120.64 123.88 1jr5 n GLU 78 Ca 0.00 0.20 0.03 0.00 0.66 0.00 0.00 57.16 58.05 1jr5 n GLU 78 Cb 0.36 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.62 1jr5 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jr5 n GLY 79 N -0.10 2.46 0.20 8.31 0.00 -1.26 -4.36 105.19 110.43 1jr5 n GLY 79 Ca 0.05 -0.39 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 -0.69 0.00 0.10 1.61 3.14 -0.97 -3.99 118.33 117.53 1jr5 n VAL 80 Ca 0.05 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.38 1jr5 n VAL 80 Cb 0.48 -0.61 0.03 0.00 -1.06 0.00 0.00 33.84 32.68 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 0.13 0.05 1.45 3.20 -1.60 -1.88 116.97 118.32 1jr5 h TYR 81 Ca 0.00 -0.07 -0.26 0.00 3.14 0.00 0.00 58.73 61.55 1jr5 h TYR 81 Cb 0.88 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1jr5 h TYR 81 CO 0.00 0.86 -1.28 0.00 -1.64 0.00 0.00 178.16 176.10 1jr5 h ARG 82 N 0.05 0.11 0.08 1.82 2.47 -1.76 -3.32 114.38 113.82 1jr5 h ARG 82 Ca -0.02 -0.18 -0.00 0.00 -1.26 0.00 0.00 59.98 58.51 1jr5 h ARG 82 Cb 1.42 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.81 1jr5 h ARG 82 CO 0.11 0.99 -0.04 1.88 0.56 0.00 0.00 179.97 183.47 1jr5 h TYR 83 N 0.03 -0.10 -0.45 3.04 -1.99 -1.66 -2.51 116.97 113.32 1jr5 h TYR 83 Ca -0.13 -0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.73 1jr5 h TYR 83 Cb 1.90 0.03 -0.02 0.00 2.00 0.00 0.00 36.73 40.65 1jr5 h TYR 83 CO 0.03 0.08 0.40 1.37 -0.00 0.00 0.00 178.16 180.03 1jr5 h LEU 84 N -0.27 0.00 0.11 3.88 8.10 -1.47 -1.44 115.31 124.22 1jr5 h LEU 84 Ca -0.01 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1jr5 h LEU 84 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 1jr5 h LEU 84 CO 0.02 0.00 -0.05 -0.08 -4.11 0.00 0.00 178.44 174.22 1jr5 h GLU 85 N 0.00 -0.14 -0.50 0.17 4.81 -1.56 0.88 114.58 118.24 1jr5 h GLU 85 Ca 0.21 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.56 1jr5 h GLU 85 Cb 1.01 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 1jr5 h GLU 85 CO -0.00 0.34 0.34 0.52 -0.73 0.00 0.00 179.01 179.48 1jr5 h MET 86 N -0.89 0.22 0.03 1.92 0.00 -1.01 0.92 114.93 116.12 1jr5 h MET 86 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 59.70 59.37 1jr5 h MET 86 Cb 0.55 -0.05 -0.04 0.00 0.00 0.00 0.00 31.60 32.06 1jr5 h MET 86 CO 0.02 0.15 -1.70 1.88 0.00 0.00 0.00 176.91 177.26 1jr5 h TYR 87 N 0.23 0.11 -1.94 -0.22 0.05 -1.33 -3.43 116.97 110.44 1jr5 h TYR 87 Ca 0.23 -0.08 -0.41 0.00 0.05 0.00 0.00 58.73 58.52 1jr5 h TYR 87 Cb 0.62 -0.00 -0.31 0.00 1.01 0.00 0.00 36.73 38.05 1jr5 h TYR 87 CO -0.00 1.16 -0.75 0.95 -1.05 0.00 0.00 178.16 178.46 1jr5 s THR 88 N -2.60 -0.21 0.17 -2.88 -4.23 0.31 -3.84 115.64 102.35 1jr5 s THR 88 Ca -0.07 -1.56 -0.18 0.00 -1.18 0.00 0.00 61.69 58.70 1jr5 s THR 88 Cb 0.08 -0.76 -0.07 0.00 1.34 0.00 0.00 72.50 73.09 1jr5 s THR 88 CO 0.82 -0.71 0.63 0.54 -0.54 0.00 0.00 174.62 175.36 1jr5 s ASN 89 N 0.87 6.98 0.00 3.99 4.22 0.31 -3.86 114.94 127.44 1jr5 s ASN 89 Ca 0.24 1.26 0.14 0.00 -2.14 0.00 0.00 52.86 52.37 1jr5 s ASN 89 Cb -0.07 -2.36 0.11 0.00 1.28 0.00 0.00 41.25 40.21 1jr5 s ASN 89 CO -0.08 0.11 0.94 2.29 -2.04 0.00 0.00 177.10 178.32