#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 0.28 -4.50 6.12 2.85 -1.26 -5.02 115.26 113.74 1jr5 n ASN 2 Ca 0.00 -1.90 -0.23 0.00 -0.11 0.00 0.00 54.58 52.34 1jr5 n ASN 2 Cb 0.00 -0.14 -0.11 0.00 1.24 0.00 0.00 39.78 40.78 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1jr5 s LYS 3 N 0.00 1.72 0.18 1.20 2.20 -1.26 -5.04 119.74 118.74 1jr5 s LYS 3 Ca 0.15 -1.93 -0.12 0.00 -0.36 0.00 0.00 55.97 53.71 1jr5 s LYS 3 Cb 0.18 -1.21 0.16 0.00 -1.51 0.00 0.00 37.83 35.44 1jr5 s LYS 3 CO -0.08 -0.07 1.78 -0.91 -0.36 0.00 0.00 175.35 175.72 1jr5 h ASN 4 N 2.06 0.36 -1.68 1.43 4.21 -1.95 -1.89 115.58 118.11 1jr5 h ASN 4 Ca -0.41 0.03 0.51 0.00 1.21 0.00 0.00 56.30 57.64 1jr5 h ASN 4 Cb 1.24 -0.03 -0.10 0.00 -1.12 0.00 0.00 38.32 38.31 1jr5 h ASN 4 CO 0.72 0.25 1.17 -0.29 -1.29 0.00 0.00 177.43 177.98 1jr5 h ILE 5 N 0.50 0.06 0.16 2.81 2.10 -1.94 0.51 117.51 121.71 1jr5 h ILE 5 Ca 0.24 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 66.16 1jr5 h ILE 5 Cb 0.16 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 35.94 1jr5 h ILE 5 CO -0.18 0.00 -0.08 0.44 -1.08 0.00 0.00 178.15 177.26 1jr5 h ASP 6 N 0.02 -0.18 0.21 2.19 3.32 -1.76 0.65 116.42 120.87 1jr5 h ASP 6 Ca 0.88 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.93 1jr5 h ASP 6 Cb 3.25 0.05 0.00 0.00 0.22 0.00 0.00 39.33 42.85 1jr5 h ASP 6 CO -0.18 0.00 0.00 0.74 -1.72 0.00 0.00 179.24 178.09 1jr5 h THR 7 N -0.48 0.00 0.00 0.35 2.02 -1.37 -1.08 112.91 112.36 1jr5 h THR 7 Ca -0.02 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1jr5 h THR 7 Cb 0.16 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1jr5 h THR 7 CO 0.04 0.00 -0.11 0.58 0.37 0.00 0.00 175.52 176.39 1jr5 h VAL 8 N 0.00 0.19 -0.90 3.16 2.07 -0.07 -0.31 116.25 120.39 1jr5 h VAL 8 Ca 0.00 -1.16 0.20 0.00 0.82 0.00 0.00 66.70 66.57 1jr5 h VAL 8 Cb 0.11 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 1jr5 h VAL 8 CO 0.00 0.07 0.60 0.08 0.02 0.00 0.00 177.57 178.33 1jr5 h ARG 9 N -1.00 0.40 0.08 1.57 -0.00 -0.52 0.16 114.38 115.07 1jr5 h ARG 9 Ca -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.94 1jr5 h ARG 9 Cb 0.21 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.09 1jr5 h ARG 9 CO -0.00 0.26 -0.04 1.05 -0.00 0.00 0.00 179.97 181.24 1jr5 h GLU 10 N 0.41 -0.11 -0.65 0.08 4.11 -1.31 -1.89 114.58 115.22 1jr5 h GLU 10 Ca 0.47 0.01 0.12 0.00 0.07 0.00 0.00 59.36 60.03 1jr5 h GLU 10 Cb 1.17 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1jr5 h GLU 10 CO -0.18 0.43 -0.26 0.82 0.07 0.00 0.00 179.01 179.90 1jr5 h ILE 11 N -0.80 0.23 0.93 -1.06 2.04 0.56 0.40 117.51 119.81 1jr5 h ILE 11 Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 1jr5 h ILE 11 Cb 0.59 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.91 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 -0.08 0.00 -0.07 -0.67 3.07 -0.83 -1.66 117.51 117.26 1jr5 h ILE 12 Ca 0.29 -0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.71 1jr5 h ILE 12 Cb 0.53 0.00 -0.05 0.00 -0.27 0.00 0.00 36.82 37.03 1jr5 h ILE 12 CO -0.70 0.00 -0.49 0.74 -1.05 0.00 0.00 178.15 176.64 1jr5 h THR 13 N -1.25 0.00 -0.05 0.16 2.02 -0.60 0.46 112.91 113.65 1jr5 h THR 13 Ca -0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.07 1jr5 h THR 13 Cb 0.96 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 1jr5 h THR 13 CO 0.21 0.00 -0.49 -0.37 0.37 0.00 0.00 175.52 175.24 1jr5 h VAL 14 N -0.56 0.00 -0.63 3.16 -1.51 -0.27 0.24 116.25 116.68 1jr5 h VAL 14 Ca 0.02 0.00 0.18 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 -0.37 0.00 0.50 0.00 -1.23 0.00 0.00 177.57 176.47 1jr5 h ALA 15 N -0.49 2.53 -0.08 5.19 0.00 -1.15 0.88 119.26 126.13 1jr5 h ALA 15 Ca 0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1jr5 h ALA 15 Cb 0.64 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1jr5 h ALA 15 CO -0.35 -0.82 -0.69 0.66 0.00 0.00 0.00 179.25 178.04 1jr5 h SER 16 N 0.00 0.45 -0.76 0.00 4.64 0.15 -1.35 113.55 116.67 1jr5 h SER 16 Ca 0.30 -0.28 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1jr5 h SER 16 Cb 1.29 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 1jr5 h SER 16 CO -0.00 1.01 0.47 0.40 -0.87 0.00 0.00 176.83 177.83 1jr5 h ILE 17 N 0.27 1.07 0.12 0.95 2.04 0.39 0.46 117.51 122.80 1jr5 h ILE 17 Ca -0.02 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.54 1jr5 h ILE 17 Cb 1.25 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 1jr5 h ILE 17 CO 0.12 0.16 -0.21 -0.07 0.00 0.00 0.00 178.15 178.15 1jr5 h LEU 18 N 0.90 -0.58 -1.56 1.44 3.38 -0.91 0.18 115.31 118.16 1jr5 h LEU 18 Ca 0.32 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.42 1jr5 h LEU 18 Cb 0.08 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1jr5 h LEU 18 CO -0.14 -0.29 0.38 -0.29 0.09 0.00 0.00 178.44 178.19 1jr5 h ILE 19 N -0.40 0.99 -0.02 1.22 2.10 -0.17 1.02 117.51 122.25 1jr5 h ILE 19 Ca 0.02 -0.18 -0.12 0.00 1.08 0.00 0.00 64.86 65.66 1jr5 h ILE 19 Cb 0.41 0.40 -0.02 0.00 -1.09 0.00 0.00 36.82 36.53 1jr5 h ILE 19 CO -0.11 0.10 -0.56 0.50 -1.08 0.00 0.00 178.15 177.00 1jr5 h LYS 20 N 0.54 0.07 -0.99 2.19 3.11 0.10 -2.63 116.57 118.95 1jr5 h LYS 20 Ca 0.25 -0.05 -0.31 0.00 -2.81 0.00 0.00 60.65 57.73 1jr5 h LYS 20 Cb 0.30 0.01 -0.18 0.00 -1.00 0.00 0.00 32.23 31.35 1jr5 h LYS 20 CO -0.07 0.62 0.39 1.19 -2.81 0.00 0.00 179.45 178.77 1jr5 n PHE 21 N -3.88 1.86 -3.02 1.91 3.72 0.53 -4.83 117.46 113.74 1jr5 n PHE 21 Ca -0.02 -1.30 -0.21 0.00 -0.05 0.00 0.00 57.45 55.87 1jr5 n PHE 21 Cb 0.57 -0.67 0.01 0.00 -0.94 0.00 0.00 39.48 38.46 1jr5 n PHE 21 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1jr5 n SER 22 N -0.49 -5.01 -1.36 4.37 3.41 -0.99 -4.86 113.62 108.70 1jr5 n SER 22 Ca 0.36 -0.24 -0.06 0.00 -0.26 0.00 0.00 58.87 58.66 1jr5 n SER 22 Cb 1.21 -4.10 0.21 0.00 -0.26 0.00 0.00 64.21 61.27 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jr5 n ARG 23 N -3.71 2.13 0.33 4.33 5.12 0.33 -4.62 116.66 120.57 1jr5 n ARG 23 Ca -0.09 -3.11 0.18 0.00 -1.93 0.00 0.00 57.85 52.90 1jr5 n ARG 23 Cb 0.60 -1.90 0.97 0.00 -1.16 0.00 0.00 32.46 30.97 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 1.17 0.00 -0.34 5.56 4.81 -1.79 0.41 114.58 124.41 1jr5 h GLU 24 Ca 0.27 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1jr5 h GLU 24 Cb 1.88 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.24 1jr5 h GLU 24 CO 0.51 0.00 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.31 1jr5 h ASP 25 N 0.00 0.53 0.23 1.04 3.32 -1.93 0.62 116.42 120.23 1jr5 h ASP 25 Ca 0.01 -0.12 -0.32 0.00 0.02 0.00 0.00 57.03 56.62 1jr5 h ASP 25 Cb 0.41 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 39.86 1jr5 h ASP 25 CO -0.00 0.63 -1.39 0.40 -1.72 0.00 0.00 179.24 177.15 1jr5 h ILE 26 N 0.52 1.29 0.00 0.35 2.04 -0.58 -3.16 117.51 117.98 1jr5 h ILE 26 Ca 0.11 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1jr5 h ILE 26 Cb 0.40 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1jr5 h ILE 26 CO 0.02 0.79 0.00 0.58 0.00 0.00 0.00 178.15 179.54 1jr5 h VAL 27 N 0.19 0.00 -0.16 1.67 2.07 -0.97 -2.46 116.25 116.59 1jr5 h VAL 27 Ca -0.23 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1jr5 h VAL 27 Cb 2.08 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 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 -2.78 1.80 -4.21 1.57 1.02 0.21 -4.75 120.64 113.50 1jr5 n GLU 28 Ca 0.01 -1.19 -0.17 0.00 -0.02 0.00 0.00 57.16 55.79 1jr5 n GLU 28 Cb 0.29 -1.42 -0.11 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.64 1.81 -0.02 1.62 3.84 -1.12 -4.80 114.94 114.63 1jr5 s ASN 29 Ca 0.34 -0.77 -0.20 0.00 0.21 0.00 0.00 52.86 52.43 1jr5 s ASN 29 Cb 0.18 -0.05 -0.12 0.00 -0.55 0.00 0.00 41.25 40.72 1jr5 s ASN 29 CO 0.28 -0.16 0.85 0.03 -2.79 0.00 0.00 177.10 175.32 1jr5 h ARG 30 N 3.68 -0.67 -0.79 0.43 -0.00 -1.86 -1.05 114.38 114.11 1jr5 h ARG 30 Ca -0.39 0.05 0.08 0.00 -0.50 0.00 0.00 59.98 59.21 1jr5 h ARG 30 Cb 1.19 0.15 -0.05 0.00 0.00 0.00 0.00 29.97 31.26 1jr5 h ARG 30 CO 0.49 -0.42 0.52 0.00 0.00 0.00 0.00 179.97 180.56 1jr5 h ALA 31 N -1.11 1.71 0.66 0.04 0.00 -1.96 0.64 119.26 119.24 1jr5 h ALA 31 Ca -0.07 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jr5 h ALA 31 Cb 0.55 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jr5 h ALA 31 CO 0.12 0.14 -0.32 -0.91 0.00 0.00 0.00 179.25 178.28 1jr5 h ASN 32 N 0.78 -0.75 -0.46 0.00 2.35 -1.78 0.24 115.58 115.96 1jr5 h ASN 32 Ca 0.36 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 56.23 1jr5 h ASN 32 Cb 0.36 0.19 -0.09 0.00 0.05 0.00 0.00 38.32 38.84 1jr5 h ASN 32 CO -0.13 -0.51 -0.12 0.15 -1.65 0.00 0.00 177.43 175.17 1jr5 h PHE 33 N -0.94 -0.26 0.55 1.19 3.04 -0.71 0.30 116.94 120.11 1jr5 h PHE 33 Ca -0.09 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.88 1jr5 h PHE 33 Cb 0.68 0.19 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1jr5 h PHE 33 CO 0.06 -0.20 -0.29 0.82 -2.02 0.00 0.00 178.31 176.68 1jr5 h ILE 34 N -0.01 0.41 -0.39 1.41 2.04 -0.88 -1.42 117.51 118.67 1jr5 h ILE 34 Ca 0.22 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 1jr5 h ILE 34 Cb 0.34 0.41 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 1jr5 h ILE 34 CO -0.48 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.45 1jr5 h ALA 35 N -0.33 0.03 -0.46 1.87 0.00 0.04 -1.13 119.26 119.27 1jr5 h ALA 35 Ca -0.07 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1jr5 h ALA 35 Cb 0.61 0.52 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 1jr5 h ALA 35 CO 0.10 -0.60 -0.27 0.35 0.00 0.00 0.00 179.25 178.83 1jr5 h PHE 36 N -0.16 -0.73 -0.68 0.00 3.57 -0.25 0.32 116.94 119.00 1jr5 h PHE 36 Ca 0.19 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.78 1jr5 h PHE 36 Cb 0.45 0.39 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 1jr5 h PHE 36 CO -0.45 -0.34 0.42 -0.07 -2.23 0.00 0.00 178.31 175.63 1jr5 h LEU 37 N -0.17 0.67 0.00 0.59 3.38 -0.31 -1.52 115.31 117.96 1jr5 h LEU 37 Ca 0.21 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1jr5 h LEU 37 Cb 0.51 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1jr5 h LEU 37 CO -0.57 0.46 -0.09 -0.46 0.09 0.00 0.00 178.44 177.87 1jr5 n ASN 38 N -4.70 0.17 -0.07 -0.43 6.94 -0.51 -0.86 115.26 115.80 1jr5 n ASN 38 Ca 0.07 0.38 -0.19 0.00 -0.02 0.00 0.00 54.58 54.83 1jr5 n ASN 38 Cb 0.10 -0.40 -0.13 0.00 -2.36 0.00 0.00 39.78 37.00 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 0.69 0.13 -3.83 0.28 0.10 -4.35 120.64 112.07 1jr5 n GLU 39 Ca 0.07 0.19 -0.02 0.00 -0.16 0.00 0.00 57.16 57.24 1jr5 n GLU 39 Cb 0.35 -1.60 0.18 0.00 1.43 0.00 0.00 31.44 31.80 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 1.40 0.00 3.84 -2.65 -1.43 -3.47 117.51 115.23 1jr5 h ILE 40 Ca -0.51 -1.97 0.00 0.00 1.03 0.00 0.00 64.86 63.41 1jr5 h ILE 40 Cb 1.97 2.04 0.00 0.00 -2.05 0.00 0.00 36.82 38.78 1jr5 h ILE 40 CO -0.01 0.57 0.00 0.61 0.03 0.00 0.00 178.15 179.35 1jr5 n GLY 41 N 0.16 0.98 3.79 0.16 0.00 -1.22 -5.13 105.19 103.93 1jr5 n GLY 41 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.46 4.81 0.24 1.61 1.01 -0.04 -5.06 120.40 121.52 1jr5 s VAL 42 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1jr5 s VAL 42 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1jr5 s VAL 42 CO 0.00 0.41 0.43 0.42 0.00 0.00 0.00 175.10 176.36 1jr5 s THR 43 N -1.15 0.00 -0.02 3.92 -4.23 -1.26 -3.91 115.64 108.99 1jr5 s THR 43 Ca 0.21 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1jr5 s THR 43 Cb -0.12 -2.26 0.04 0.00 1.34 0.00 0.00 72.50 71.50 1jr5 s THR 43 CO 0.12 0.00 0.84 1.57 -0.54 0.00 0.00 174.62 176.61 1jr5 n HIS 44 N -0.37 0.00 0.00 3.99 -0.00 -1.09 -4.57 115.22 113.18 1jr5 n HIS 44 Ca -0.01 -0.31 0.00 0.00 0.46 0.00 0.00 57.72 57.86 1jr5 n HIS 44 Cb 0.62 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 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 -0.37 0.00 -1.14 1.57 0.28 -1.26 -4.92 120.64 114.81 1jr5 n GLU 45 Ca 0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.98 1jr5 n GLU 45 Cb 0.47 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.32 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 0.71 3.10 -1.84 0.00 -1.26 -4.98 105.19 100.92 1jr5 n GLY 46 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.88 0.25 0.00 1.61 0.52 -1.26 -5.08 118.95 113.11 1jr5 s ARG 47 Ca 0.00 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.75 1jr5 s ARG 47 Cb 0.00 -0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.41 1jr5 s ARG 47 CO 0.00 -0.14 0.00 0.36 0.02 0.00 0.00 175.30 175.54 1jr5 n LYS 48 N 4.01 2.79 -4.29 3.54 -0.00 -1.25 -2.67 118.16 120.28 1jr5 n LYS 48 Ca -0.23 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 57.93 1jr5 n LYS 48 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.47 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 2.16 0.00 -5.58 1.43 -1.26 -4.62 118.68 110.80 1jr5 s LEU 49 Ca 0.00 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1jr5 s LEU 49 Cb 0.00 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.03 1jr5 s LEU 49 CO 0.00 -0.53 0.00 0.59 0.23 0.00 0.00 176.35 176.64 1jr5 n ASN 50 N -0.34 2.66 0.00 2.29 4.13 -1.26 -4.74 115.26 117.99 1jr5 n ASN 50 Ca -0.06 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.20 1jr5 n ASN 50 Cb 0.64 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jr5 n GLN 51 N -2.35 0.00 -0.08 3.52 1.13 -1.26 -4.91 117.38 113.43 1jr5 n GLN 51 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1jr5 n GLN 51 Cb 0.38 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.69 1jr5 n GLN 51 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 1jr5 h ASN 52 N 0.00 0.00 -1.26 1.08 -0.73 -2.01 -3.36 115.58 109.31 1jr5 h ASN 52 Ca 0.00 -0.18 0.44 0.00 1.87 0.00 0.00 56.30 58.42 1jr5 h ASN 52 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 38.32 38.45 1jr5 h ASN 52 CO 0.00 0.92 0.78 -1.28 -0.37 0.00 0.00 177.43 177.48 1jr5 h SER 53 N -1.00 0.27 0.37 1.15 0.87 -1.96 -0.69 113.55 112.55 1jr5 h SER 53 Ca -0.09 0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1jr5 h SER 53 Cb 0.66 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1jr5 h SER 53 CO -0.05 -0.25 -0.18 0.15 -0.53 0.00 0.00 176.83 175.97 1jr5 h PHE 54 N 0.07 -0.46 -0.84 2.24 3.04 -1.97 0.51 116.94 119.52 1jr5 h PHE 54 Ca 0.84 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 62.98 1jr5 h PHE 54 Cb 2.52 0.15 -0.13 0.00 2.56 0.00 0.00 35.95 41.05 1jr5 h PHE 54 CO -0.01 -0.28 0.26 0.07 -2.02 0.00 0.00 178.31 176.33 1jr5 h ARG 55 N -0.57 0.27 0.00 1.11 0.11 -1.32 0.85 114.38 114.83 1jr5 h ARG 55 Ca -0.05 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.91 1jr5 h ARG 55 Cb 0.38 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 1jr5 h ARG 55 CO 0.08 0.18 -0.49 0.87 0.10 0.00 0.00 179.97 180.71 1jr5 h LYS 56 N 0.28 0.00 -0.05 0.08 1.57 -1.19 0.34 116.57 117.60 1jr5 h LYS 56 Ca 0.51 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.31 1jr5 h LYS 56 Cb 0.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1jr5 h LYS 56 CO -0.58 0.49 -0.08 0.97 -0.57 0.00 0.00 179.45 179.68 1jr5 h ILE 57 N 0.00 0.78 -0.01 1.86 6.09 0.59 0.68 117.51 127.49 1jr5 h ILE 57 Ca -0.00 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 63.34 1jr5 h ILE 57 Cb 0.97 0.78 0.01 0.00 0.47 0.00 0.00 36.82 39.06 1jr5 h ILE 57 CO 0.06 0.00 -0.57 -0.37 -3.07 0.00 0.00 178.15 174.21 1jr5 h VAL 58 N -0.12 1.43 -0.12 2.19 -1.51 -1.15 -2.27 116.25 114.71 1jr5 h VAL 58 Ca 0.05 -2.04 0.03 0.00 -1.23 0.00 0.00 66.70 63.51 1jr5 h VAL 58 Cb 0.18 2.56 -0.00 0.00 -2.13 0.00 0.00 31.29 31.90 1jr5 h VAL 58 CO -0.12 0.59 0.13 -1.28 -1.23 0.00 0.00 177.57 175.67 1jr5 h SER 59 N -0.11 0.00 -0.00 4.19 0.87 -0.09 0.30 113.55 118.71 1jr5 h SER 59 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1jr5 h SER 59 Cb 1.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1jr5 h SER 59 CO 0.11 0.00 -0.24 -0.62 -0.53 0.00 0.00 176.83 175.55 1jr5 n GLU 60 N -3.80 1.67 -3.41 2.24 1.02 0.24 -4.91 120.64 113.69 1jr5 n GLU 60 Ca -0.00 -1.35 -0.35 0.00 -0.02 0.00 0.00 57.16 55.44 1jr5 n GLU 60 Cb 0.24 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.26 4.34 0.42 -4.62 0.20 0.10 -5.05 118.68 111.82 1jr5 s LEU 61 Ca 0.24 1.01 0.06 0.00 0.69 0.00 0.00 54.13 56.13 1jr5 s LEU 61 Cb 0.19 -3.20 -0.06 0.00 -0.43 0.00 0.00 46.19 42.68 1jr5 s LEU 61 CO 0.44 0.12 0.06 0.28 -0.29 0.00 0.00 176.35 176.96 1jr5 s THR 62 N -1.45 1.99 0.26 3.68 -1.32 -1.26 -4.93 115.64 112.60 1jr5 s THR 62 Ca 0.37 -1.92 0.33 0.00 -1.21 0.00 0.00 61.69 59.26 1jr5 s THR 62 Cb -0.15 -2.90 0.33 0.00 -1.51 0.00 0.00 72.50 68.27 1jr5 s THR 62 CO 0.19 0.00 2.01 0.06 -2.21 0.00 0.00 174.62 174.67 1jr5 h GLN 63 N 1.63 0.00 0.12 7.08 3.07 -1.98 -1.03 115.11 123.99 1jr5 h GLN 63 Ca -0.44 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.03 1jr5 h GLN 63 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.82 1jr5 h GLN 63 CO 0.77 0.00 -1.21 0.93 0.09 0.00 0.00 178.83 179.42 1jr5 h GLU 64 N 0.00 0.33 -0.09 0.06 5.08 -1.98 -0.27 114.58 117.71 1jr5 h GLU 64 Ca 0.00 -0.51 -0.04 0.00 -1.00 0.00 0.00 59.36 57.81 1jr5 h GLU 64 Cb 0.05 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1jr5 h GLU 64 CO 0.00 1.22 -0.15 0.22 -1.00 0.00 0.00 179.01 179.30 1jr5 h ASP 65 N 0.11 0.13 -0.17 1.42 1.82 -1.58 0.45 116.42 118.59 1jr5 h ASP 65 Ca -0.14 -0.02 -0.16 0.00 -0.39 0.00 0.00 57.03 56.32 1jr5 h ASP 65 Cb 1.91 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.89 1jr5 h ASP 65 CO 0.20 0.30 -0.50 0.50 -1.61 0.00 0.00 179.24 178.13 1jr5 h LYS 66 N 0.13 0.64 -0.37 0.28 3.64 -1.38 -0.85 116.57 118.66 1jr5 h LYS 66 Ca 0.03 -0.46 -0.12 0.00 -1.27 0.00 0.00 60.65 58.82 1jr5 h LYS 66 Cb 0.35 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1jr5 h LYS 66 CO 0.02 1.08 -0.27 -0.22 -2.27 0.00 0.00 179.45 177.79 1jr5 h LYS 67 N 0.31 0.76 -0.30 1.90 3.11 -0.18 0.44 116.57 122.61 1jr5 h LYS 67 Ca -0.01 -0.33 -0.11 0.00 -2.81 0.00 0.00 60.65 57.39 1jr5 h LYS 67 Cb 1.12 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.32 1jr5 h LYS 67 CO 0.11 0.95 -0.23 1.15 -2.81 0.00 0.00 179.45 178.61 1jr5 h THR 68 N 0.66 1.30 0.00 1.00 2.02 -0.13 0.11 112.91 117.87 1jr5 h THR 68 Ca 0.08 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 1jr5 h THR 68 Cb 0.79 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 1jr5 h THR 68 CO 0.07 0.44 -0.03 0.17 0.37 0.00 0.00 175.52 176.54 1jr5 h LEU 69 N 0.43 0.00 -0.24 2.58 -0.00 -1.09 -2.93 115.31 114.07 1jr5 h LEU 69 Ca 0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.73 1jr5 h LEU 69 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1jr5 h LEU 69 CO 0.06 0.03 -0.90 0.40 -0.00 0.00 0.00 178.44 178.03 1jr5 h ILE 70 N 0.00 1.50 -1.41 0.15 2.04 0.10 0.23 117.51 120.13 1jr5 h ILE 70 Ca -0.00 -2.68 0.42 0.00 1.00 0.00 0.00 64.86 63.60 1jr5 h ILE 70 Cb 0.98 2.51 -0.09 0.00 -0.74 0.00 0.00 36.82 39.48 1jr5 h ILE 70 CO 0.00 0.78 0.96 -0.78 0.00 0.00 0.00 178.15 179.12 1jr5 h ASP 71 N 0.10 0.16 0.00 1.72 1.82 -0.58 0.68 116.42 120.32 1jr5 h ASP 71 Ca -0.05 0.07 -0.25 0.00 -0.39 0.00 0.00 57.03 56.40 1jr5 h ASP 71 Cb 1.55 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 41.56 1jr5 h ASP 71 CO 0.14 -0.06 -1.96 -0.62 -1.61 0.00 0.00 179.24 175.12 1jr5 n GLU 72 N -4.39 0.83 -1.79 0.28 1.02 -1.19 -4.58 120.64 110.82 1jr5 n GLU 72 Ca 0.35 0.07 -0.35 0.00 -0.02 0.00 0.00 57.16 57.21 1jr5 n GLU 72 Cb 1.45 -1.34 -0.00 0.00 -0.02 0.00 0.00 31.44 31.53 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 -2.86 2.39 0.00 -0.32 3.01 0.81 -4.89 117.46 115.61 1jr5 n PHE 73 Ca -0.28 -2.20 0.00 0.00 1.01 0.00 0.00 57.45 55.98 1jr5 n PHE 73 Cb 0.86 -1.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 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 0.15 0.00 -1.04 4.37 3.02 0.22 -3.80 115.26 118.17 1jr5 n ASN 74 Ca 0.52 0.13 0.08 0.00 -0.03 0.00 0.00 54.58 55.28 1jr5 n ASN 74 Cb 0.36 0.00 0.26 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.26 3.23 -0.52 3.52 0.28 -1.26 -4.48 120.64 121.14 1jr5 n GLU 75 Ca 0.00 -2.65 0.10 0.00 -0.16 0.00 0.00 57.16 54.45 1jr5 n GLU 75 Cb 0.00 -1.72 0.34 0.00 1.43 0.00 0.00 31.44 31.49 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 0.20 2.57 0.00 -1.84 0.00 -1.25 -4.29 105.19 100.57 1jr5 n GLY 76 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.34 0.00 1.04 1.61 -1.74 -1.26 -4.82 117.46 113.64 1jr5 n PHE 77 Ca 0.25 -0.03 0.10 0.00 -0.56 0.00 0.00 57.45 57.21 1jr5 n PHE 77 Cb 0.78 -0.00 0.54 0.00 1.52 0.00 0.00 39.48 42.31 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 0.38 -0.12 3.97 2.13 -1.26 -1.57 120.64 124.14 1jr5 n GLU 78 Ca 0.00 0.07 0.04 0.00 0.66 0.00 0.00 57.16 57.93 1jr5 n GLU 78 Cb 0.32 -1.50 0.06 0.00 0.27 0.00 0.00 31.44 30.59 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 0.38 2.66 0.70 8.31 0.00 -1.26 -4.36 105.19 111.62 1jr5 n GLY 79 Ca 0.11 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.76 0.00 0.15 1.61 3.14 -1.09 -4.15 118.33 117.24 1jr5 n VAL 80 Ca 0.07 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.46 1jr5 n VAL 80 Cb 0.53 -0.72 0.21 0.00 -1.06 0.00 0.00 33.84 32.80 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 0.03 1.45 3.20 -1.58 -1.22 116.97 118.84 1jr5 h TYR 81 Ca 0.00 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.59 1jr5 h TYR 81 Cb 0.62 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1jr5 h TYR 81 CO 0.00 0.53 -1.54 0.00 -1.64 0.00 0.00 178.16 175.51 1jr5 h ARG 82 N 0.00 0.06 -0.30 1.82 2.47 -1.76 -3.33 114.38 113.34 1jr5 h ARG 82 Ca -0.01 -0.11 -0.06 0.00 -1.26 0.00 0.00 59.98 58.55 1jr5 h ARG 82 Cb 1.07 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 1jr5 h ARG 82 CO 0.07 0.77 -0.06 1.88 0.56 0.00 0.00 179.97 183.19 1jr5 h TYR 83 N 0.02 0.63 -0.02 3.04 -1.99 -1.68 -2.57 116.97 114.41 1jr5 h TYR 83 Ca -0.23 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.38 1jr5 h TYR 83 Cb 1.96 -0.16 -0.00 0.00 2.00 0.00 0.00 36.73 40.53 1jr5 h TYR 83 CO 0.02 0.75 0.02 1.37 -0.00 0.00 0.00 178.16 180.31 1jr5 h LEU 84 N 0.34 0.00 0.21 3.88 -0.00 -1.37 -1.66 115.31 116.70 1jr5 h LEU 84 Ca 0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1jr5 h LEU 84 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1jr5 h LEU 84 CO 0.03 0.00 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.04 1jr5 h GLU 85 N 0.00 -0.27 -0.65 0.17 5.08 -1.58 0.59 114.58 117.93 1jr5 h GLU 85 Ca 0.01 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.57 1jr5 h GLU 85 Cb 0.05 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1jr5 h GLU 85 CO -0.00 -0.00 0.46 0.52 -1.00 0.00 0.00 179.01 178.99 1jr5 h MET 86 N -1.01 0.02 0.01 2.33 2.86 -1.17 0.56 114.93 118.54 1jr5 h MET 86 Ca -0.03 -0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.32 1jr5 h MET 86 Cb 0.39 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1jr5 h MET 86 CO 0.05 0.01 -1.66 1.88 1.06 0.00 0.00 176.91 178.25 1jr5 h TYR 87 N 0.02 0.06 -1.96 -0.22 0.05 -1.35 -3.43 116.97 110.15 1jr5 h TYR 87 Ca 0.31 -0.04 -0.41 0.00 0.05 0.00 0.00 58.73 58.64 1jr5 h TYR 87 Cb 1.20 -0.00 -0.31 0.00 1.01 0.00 0.00 36.73 38.63 1jr5 h TYR 87 CO -0.00 1.08 -0.75 0.95 -1.05 0.00 0.00 178.16 178.39 1jr5 s THR 88 N -2.61 -0.22 -0.08 -2.88 -4.23 0.21 -4.37 115.64 101.46 1jr5 s THR 88 Ca -0.06 -1.47 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1jr5 s THR 88 Cb 0.08 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 1jr5 s THR 88 CO 0.82 -0.70 0.12 0.54 -0.54 0.00 0.00 174.62 174.86 1jr5 s ASN 89 N 0.96 6.13 0.00 3.99 4.22 0.17 -4.06 114.94 126.35 1jr5 s ASN 89 Ca 0.23 0.36 0.09 0.00 -2.14 0.00 0.00 52.86 51.39 1jr5 s ASN 89 Cb -0.09 -1.91 0.07 0.00 1.28 0.00 0.00 41.25 40.60 1jr5 s ASN 89 CO -0.07 0.36 0.77 0.29 -2.04 0.00 0.00 177.10 176.41