#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 -0.04 -4.19 7.83 5.15 -1.26 -4.91 115.26 117.84 1jr5 n ASN 2 Ca 0.00 -1.59 -0.11 0.00 -0.60 0.00 0.00 54.58 52.28 1jr5 n ASN 2 Cb 0.00 -0.05 -0.10 0.00 -0.53 0.00 0.00 39.78 39.10 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jr5 s LYS 3 N 0.00 1.06 0.19 1.20 3.01 -1.26 -5.04 119.74 118.89 1jr5 s LYS 3 Ca 0.04 -1.52 -0.12 0.00 -1.01 0.00 0.00 55.97 53.35 1jr5 s LYS 3 Cb 0.05 0.11 0.12 0.00 -1.01 0.00 0.00 37.83 37.09 1jr5 s LYS 3 CO -0.02 -0.26 1.84 -0.91 0.51 0.00 0.00 175.35 176.50 1jr5 h ASN 4 N 2.74 0.63 -1.64 2.83 2.35 -1.93 -2.24 115.58 118.33 1jr5 h ASN 4 Ca -0.36 -0.01 0.49 0.00 -0.55 0.00 0.00 56.30 55.88 1jr5 h ASN 4 Cb 1.21 -0.14 -0.09 0.00 0.05 0.00 0.00 38.32 39.35 1jr5 h ASN 4 CO 0.59 0.45 1.14 -0.29 -1.65 0.00 0.00 177.43 177.67 1jr5 h ILE 5 N 0.75 0.10 0.04 2.81 2.10 -1.95 0.60 117.51 121.97 1jr5 h ILE 5 Ca 0.23 -0.01 -0.00 0.00 1.08 0.00 0.00 64.86 66.16 1jr5 h ILE 5 Cb -0.03 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 35.78 1jr5 h ILE 5 CO -0.08 0.01 -0.02 0.44 -1.08 0.00 0.00 178.15 177.42 1jr5 h ASP 6 N 0.03 -0.05 0.09 2.19 3.32 -1.82 0.69 116.42 120.87 1jr5 h ASP 6 Ca 0.84 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.90 1jr5 h ASP 6 Cb 3.14 0.01 0.00 0.00 0.22 0.00 0.00 39.33 42.71 1jr5 h ASP 6 CO -0.15 0.00 0.00 0.74 -1.72 0.00 0.00 179.24 178.11 1jr5 h THR 7 N -0.13 0.00 0.07 0.35 2.02 -1.50 -1.05 112.91 112.68 1jr5 h THR 7 Ca -0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1jr5 h THR 7 Cb 0.04 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1jr5 h THR 7 CO 0.01 0.00 -0.04 0.58 0.37 0.00 0.00 175.52 176.44 1jr5 h VAL 8 N 0.00 0.00 -1.05 3.16 2.07 0.12 0.87 116.25 121.42 1jr5 h VAL 8 Ca 0.00 -0.77 0.30 0.00 0.82 0.00 0.00 66.70 67.06 1jr5 h VAL 8 Cb 0.04 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.69 1jr5 h VAL 8 CO 0.00 0.00 0.64 0.03 0.02 0.00 0.00 177.57 178.26 1jr5 h ARG 9 N -0.87 0.37 0.18 1.57 3.08 -0.44 0.33 114.38 118.60 1jr5 h ARG 9 Ca -0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1jr5 h ARG 9 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1jr5 h ARG 9 CO 0.02 0.24 -0.09 1.05 -1.07 0.00 0.00 179.97 180.12 1jr5 h GLU 10 N 0.38 -0.23 -0.76 0.04 4.11 -1.29 -2.10 114.58 114.72 1jr5 h GLU 10 Ca 0.69 0.02 0.15 0.00 0.07 0.00 0.00 59.36 60.29 1jr5 h GLU 10 Cb 1.63 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.79 1jr5 h GLU 10 CO -0.47 0.15 -0.18 0.82 0.07 0.00 0.00 179.01 179.40 1jr5 h ILE 11 N -0.92 0.25 0.95 -1.06 2.04 0.12 0.36 117.51 119.25 1jr5 h ILE 11 Ca -0.02 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1jr5 h ILE 11 Cb 0.49 0.24 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1jr5 h ILE 11 CO 0.04 0.00 -0.45 0.16 0.00 0.00 0.00 178.15 177.90 1jr5 h ILE 12 N 0.00 0.02 -0.09 -0.67 3.07 -0.52 -1.61 117.51 117.71 1jr5 h ILE 12 Ca 0.37 -0.06 0.02 0.00 1.55 0.00 0.00 64.86 66.74 1jr5 h ILE 12 Cb 0.56 0.02 -0.05 0.00 -0.27 0.00 0.00 36.82 37.08 1jr5 h ILE 12 CO -0.78 0.00 -0.40 0.74 -1.05 0.00 0.00 178.15 176.66 1jr5 h THR 13 N -1.33 0.00 -0.09 0.16 2.02 -0.56 -0.21 112.91 112.90 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 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1jr5 h THR 13 CO 0.21 0.00 -0.19 -0.37 0.37 0.00 0.00 175.52 175.55 1jr5 h VAL 14 N -0.44 0.00 -1.10 3.16 -1.51 -0.36 0.14 116.25 116.13 1jr5 h VAL 14 Ca 0.02 0.00 0.31 0.00 -1.23 0.00 0.00 66.70 65.80 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 -0.32 0.00 0.76 0.00 -1.23 0.00 0.00 177.57 176.78 1jr5 h ALA 15 N -0.96 2.74 -0.17 5.19 0.00 -1.23 1.03 119.26 125.87 1jr5 h ALA 15 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1jr5 h ALA 15 Cb 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jr5 h ALA 15 CO -0.18 -1.11 -0.53 0.66 0.00 0.00 0.00 179.25 178.10 1jr5 h SER 16 N 0.15 0.53 -0.58 0.00 4.64 0.62 -1.37 113.55 117.55 1jr5 h SER 16 Ca 0.57 -0.27 0.07 0.00 -0.47 0.00 0.00 61.79 61.68 1jr5 h SER 16 Cb 1.92 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 63.81 1jr5 h SER 16 CO -0.13 0.96 0.27 0.40 -0.87 0.00 0.00 176.83 177.46 1jr5 h ILE 17 N 0.37 0.89 0.19 0.95 2.04 0.37 0.11 117.51 122.43 1jr5 h ILE 17 Ca 0.01 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1jr5 h ILE 17 Cb 1.05 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1jr5 h ILE 17 CO 0.10 0.09 -0.22 -0.07 0.00 0.00 0.00 178.15 178.05 1jr5 h LEU 18 N 0.50 -0.58 -1.88 1.44 3.38 -0.98 0.17 115.31 117.36 1jr5 h LEU 18 Ca 0.27 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.44 1jr5 h LEU 18 Cb 0.24 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1jr5 h LEU 18 CO -0.22 -0.31 0.39 -0.29 0.09 0.00 0.00 178.44 178.10 1jr5 h ILE 19 N -0.45 0.78 0.01 1.22 2.10 -0.36 0.94 117.51 121.74 1jr5 h ILE 19 Ca 0.01 -0.04 -0.20 0.00 1.08 0.00 0.00 64.86 65.70 1jr5 h ILE 19 Cb 0.43 0.64 -0.03 0.00 -1.09 0.00 0.00 36.82 36.78 1jr5 h ILE 19 CO -0.07 0.02 -0.94 0.50 -1.08 0.00 0.00 178.15 176.58 1jr5 h LYS 20 N 0.13 0.02 -0.70 2.19 3.64 0.20 -3.00 116.57 119.05 1jr5 h LYS 20 Ca 0.27 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1jr5 h LYS 20 Cb 0.88 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1jr5 h LYS 20 CO -0.03 0.95 0.00 1.19 -2.27 0.00 0.00 179.45 179.28 1jr5 n PHE 21 N -3.44 0.86 -3.11 1.91 3.72 0.12 -4.86 117.46 112.65 1jr5 n PHE 21 Ca -0.01 -0.31 -0.14 0.00 -0.05 0.00 0.00 57.45 56.94 1jr5 n PHE 21 Cb 0.89 -0.23 0.04 0.00 -0.94 0.00 0.00 39.48 39.25 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 0.35 -4.57 -0.89 4.37 2.88 -0.48 -4.94 113.62 110.34 1jr5 n SER 22 Ca 0.13 -0.30 0.01 0.00 -1.33 0.00 0.00 58.87 57.37 1jr5 n SER 22 Cb 0.60 -3.18 0.20 0.00 -0.75 0.00 0.00 64.21 61.08 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 -3.12 1.76 0.22 -1.46 3.00 0.28 -4.69 116.66 112.64 1jr5 n ARG 23 Ca -0.00 -3.19 0.18 0.00 -0.01 0.00 0.00 57.85 54.82 1jr5 n ARG 23 Cb 0.54 -1.73 0.78 0.00 0.00 0.00 0.00 32.46 32.05 1jr5 n ARG 23 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1jr5 h GLU 24 N 0.98 0.00 -0.39 5.56 5.08 -1.81 0.49 114.58 124.50 1jr5 h GLU 24 Ca 0.12 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1jr5 h GLU 24 Cb 1.37 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 1jr5 h GLU 24 CO 0.22 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.79 1jr5 h ASP 25 N 0.00 0.58 0.43 1.42 5.19 -1.95 0.65 116.42 122.74 1jr5 h ASP 25 Ca 0.09 -0.12 -0.30 0.00 -0.62 0.00 0.00 57.03 56.08 1jr5 h ASP 25 Cb 0.86 -0.15 0.02 0.00 0.18 0.00 0.00 39.33 40.24 1jr5 h ASP 25 CO -0.00 0.65 -1.35 0.40 -3.12 0.00 0.00 179.24 175.82 1jr5 h ILE 26 N 0.58 1.39 0.00 0.35 2.04 -0.40 -3.23 117.51 118.24 1jr5 h ILE 26 Ca 0.12 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.13 1jr5 h ILE 26 Cb 0.37 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1jr5 h ILE 26 CO 0.01 0.84 0.00 0.58 0.00 0.00 0.00 178.15 179.59 1jr5 h VAL 27 N 0.12 0.00 -0.01 1.67 2.07 -0.97 -2.50 116.25 116.63 1jr5 h VAL 27 Ca -0.19 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1jr5 h VAL 27 Cb 2.05 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1jr5 h VAL 27 CO 0.24 0.00 -0.18 -0.62 0.02 0.00 0.00 177.57 177.03 1jr5 n GLU 28 N -2.80 1.08 -4.43 1.57 1.02 0.22 -4.68 120.64 112.63 1jr5 n GLU 28 Ca 0.03 -0.63 -0.20 0.00 -0.02 0.00 0.00 57.16 56.33 1jr5 n GLU 28 Cb 0.38 -1.49 -0.14 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 -2.35 1.55 0.10 1.62 2.47 -1.19 -4.74 114.94 112.40 1jr5 s ASN 29 Ca 0.28 -0.36 -0.19 0.00 0.42 0.00 0.00 52.86 53.01 1jr5 s ASN 29 Cb 0.20 -0.12 -0.07 0.00 -1.45 0.00 0.00 41.25 39.81 1jr5 s ASN 29 CO 0.46 0.08 1.63 -0.09 -3.72 0.00 0.00 177.10 175.46 1jr5 h ARG 30 N 5.29 0.39 0.04 0.43 2.43 -1.86 -0.87 114.38 120.24 1jr5 h ARG 30 Ca -0.36 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 58.75 1jr5 h ARG 30 Cb 1.18 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 1jr5 h ARG 30 CO 0.46 0.45 -0.12 0.00 -1.51 0.00 0.00 179.97 179.24 1jr5 h ALA 31 N 0.93 -0.17 -0.34 2.80 0.00 -1.95 0.36 119.26 120.88 1jr5 h ALA 31 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jr5 h ALA 31 Cb 0.21 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1jr5 h ALA 31 CO -0.00 -0.63 0.17 -0.91 0.00 0.00 0.00 179.25 177.88 1jr5 h ASN 32 N -0.23 0.44 -0.17 0.00 2.35 -1.77 0.20 115.58 116.39 1jr5 h ASN 32 Ca 0.03 -0.11 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1jr5 h ASN 32 Cb 0.27 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1jr5 h ASN 32 CO -0.10 0.42 0.00 0.15 -1.65 0.00 0.00 177.43 176.26 1jr5 h PHE 33 N 0.42 -0.01 0.54 1.19 3.04 -0.68 0.38 116.94 121.83 1jr5 h PHE 33 Ca 0.12 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1jr5 h PHE 33 Cb 0.09 0.03 0.01 0.00 2.56 0.00 0.00 35.95 38.64 1jr5 h PHE 33 CO -0.02 -0.02 -0.26 0.82 -2.02 0.00 0.00 178.31 176.81 1jr5 h ILE 34 N 0.06 0.47 -0.59 1.41 2.04 -0.10 -1.57 117.51 119.22 1jr5 h ILE 34 Ca 0.08 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 66.05 1jr5 h ILE 34 Cb 0.09 0.47 -0.09 0.00 -0.74 0.00 0.00 36.82 36.55 1jr5 h ILE 34 CO -0.13 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.09 1jr5 h ALA 35 N -0.27 0.65 -0.02 1.87 0.00 -0.39 -1.39 119.26 119.71 1jr5 h ALA 35 Ca -0.07 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1jr5 h ALA 35 Cb 0.56 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1jr5 h ALA 35 CO 0.12 -0.35 -0.47 0.35 0.00 0.00 0.00 179.25 178.90 1jr5 h PHE 36 N 0.18 -1.35 -0.97 0.00 3.57 0.02 0.31 116.94 118.70 1jr5 h PHE 36 Ca 0.31 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.96 1jr5 h PHE 36 Cb 0.48 0.59 -0.08 0.00 2.79 0.00 0.00 35.95 39.74 1jr5 h PHE 36 CO -0.30 -0.53 0.61 -0.07 -2.23 0.00 0.00 178.31 175.79 1jr5 h LEU 37 N -0.61 0.91 0.00 0.59 3.38 -0.57 -1.30 115.31 117.71 1jr5 h LEU 37 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jr5 h LEU 37 Cb 0.68 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1jr5 h LEU 37 CO -0.35 0.51 -0.22 -0.46 0.09 0.00 0.00 178.44 178.02 1jr5 n ASN 38 N -4.61 0.50 -0.04 -0.43 6.94 -0.59 -1.01 115.26 116.01 1jr5 n ASN 38 Ca 0.17 0.32 -0.19 0.00 -0.02 0.00 0.00 54.58 54.85 1jr5 n ASN 38 Cb 0.30 -0.32 -0.13 0.00 -2.36 0.00 0.00 39.78 37.26 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 -1.88 0.72 0.12 -3.83 0.28 0.10 -4.29 120.64 111.87 1jr5 n GLU 39 Ca 0.05 0.23 -0.02 0.00 -0.16 0.00 0.00 57.16 57.26 1jr5 n GLU 39 Cb 0.39 -1.66 0.19 0.00 1.43 0.00 0.00 31.44 31.79 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 0.05 1.39 0.00 3.84 -2.65 -1.43 -3.47 117.51 115.23 1jr5 h ILE 40 Ca -0.46 -1.90 0.00 0.00 1.03 0.00 0.00 64.86 63.52 1jr5 h ILE 40 Cb 2.00 1.99 0.00 0.00 -2.05 0.00 0.00 36.82 38.76 1jr5 h ILE 40 CO 0.04 0.55 0.00 0.61 0.03 0.00 0.00 178.15 179.38 1jr5 n GLY 41 N 0.11 1.20 3.83 0.16 0.00 -1.23 -5.14 105.19 104.13 1jr5 n GLY 41 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.99 5.23 0.21 1.61 1.01 -0.18 -5.06 120.40 121.24 1jr5 s VAL 42 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1jr5 s VAL 42 Cb 0.00 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1jr5 s VAL 42 CO 0.00 0.61 0.20 0.42 0.00 0.00 0.00 175.10 176.34 1jr5 s THR 43 N -0.96 0.00 -0.02 3.92 -4.23 -1.26 -4.05 115.64 109.04 1jr5 s THR 43 Ca 0.14 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1jr5 s THR 43 Cb -0.12 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.31 1jr5 s THR 43 CO 0.03 0.00 0.83 1.57 -0.54 0.00 0.00 174.62 176.52 1jr5 n HIS 44 N -0.31 0.00 0.00 3.99 -0.00 -1.10 -4.64 115.22 113.16 1jr5 n HIS 44 Ca 0.01 -0.30 0.00 0.00 0.46 0.00 0.00 57.72 57.89 1jr5 n HIS 44 Cb 0.65 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 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 -0.36 0.00 -1.18 1.57 0.28 -1.26 -4.91 120.64 114.78 1jr5 n GLU 45 Ca 0.02 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.96 1jr5 n GLU 45 Cb 0.46 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.31 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 3.14 -1.84 0.00 -1.26 -4.97 105.19 101.08 1jr5 n GLY 46 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.14 0.28 0.00 1.61 1.81 -1.26 -5.09 118.95 114.16 1jr5 s ARG 47 Ca 0.00 0.67 0.00 0.00 -1.72 0.00 0.00 55.73 54.68 1jr5 s ARG 47 Cb 0.00 -0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.44 1jr5 s ARG 47 CO 0.00 -0.17 0.00 0.36 -0.68 0.00 0.00 175.30 174.81 1jr5 n LYS 48 N 4.37 2.23 -4.39 3.54 -0.00 -1.26 -2.69 118.16 119.95 1jr5 n LYS 48 Ca -0.23 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 57.88 1jr5 n LYS 48 Cb 0.53 0.00 -0.13 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 2.17 -0.12 -5.58 1.43 -1.26 -4.64 118.68 110.68 1jr5 s LEU 49 Ca 0.00 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 1jr5 s LEU 49 Cb 0.00 -0.65 -0.12 0.00 0.03 0.00 0.00 46.19 45.45 1jr5 s LEU 49 CO 0.00 0.05 -0.01 -3.20 0.23 0.00 0.00 176.35 173.42 1jr5 n ASN 50 N 1.89 2.51 0.00 2.29 2.85 -1.26 -4.56 115.26 118.97 1jr5 n ASN 50 Ca -0.18 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1jr5 n ASN 50 Cb 0.54 0.47 0.00 0.00 1.24 0.00 0.00 39.78 42.03 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 -2.55 0.00 -0.05 1.20 1.13 -1.26 -4.90 117.38 110.94 1jr5 n GLN 51 Ca -0.20 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.69 1jr5 n GLN 51 Cb 0.83 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 31.04 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 0.11 -0.41 1.08 -0.73 -1.99 -3.32 115.58 110.31 1jr5 h ASN 52 Ca 0.00 -0.91 0.04 0.00 1.87 0.00 0.00 56.30 57.30 1jr5 h ASN 52 Cb 0.00 -0.04 -0.05 0.00 0.27 0.00 0.00 38.32 38.51 1jr5 h ASN 52 CO 0.00 1.19 -0.24 -1.20 -0.37 0.00 0.00 177.43 176.81 1jr5 n SER 53 N -4.45 -0.44 0.10 1.15 7.64 -1.26 0.94 113.62 117.31 1jr5 n SER 53 Ca -0.15 0.95 -0.13 0.00 1.01 0.00 0.00 58.87 60.55 1jr5 n SER 53 Cb 0.60 -0.20 -0.08 0.00 -1.01 0.00 0.00 64.21 63.52 1jr5 n SER 53 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1jr5 h PHE 54 N 0.00 -0.17 -0.30 1.43 3.04 -1.97 0.42 116.94 119.39 1jr5 h PHE 54 Ca 0.07 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.08 1jr5 h PHE 54 Cb 0.17 0.06 -0.08 0.00 2.56 0.00 0.00 35.95 38.66 1jr5 h PHE 54 CO -0.63 -0.08 -0.22 0.07 -2.02 0.00 0.00 178.31 175.44 1jr5 h ARG 55 N -0.23 -0.19 0.00 1.11 0.11 -0.80 0.32 114.38 114.71 1jr5 h ARG 55 Ca -0.02 0.01 -0.09 0.00 0.10 0.00 0.00 59.98 59.98 1jr5 h ARG 55 Cb 0.18 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 1jr5 h ARG 55 CO 0.03 -0.12 -0.43 0.87 0.10 0.00 0.00 179.97 180.42 1jr5 h LYS 56 N -0.19 0.00 0.84 0.08 1.57 0.68 0.44 116.57 119.99 1jr5 h LYS 56 Ca 0.16 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1jr5 h LYS 56 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1jr5 h LYS 56 CO -0.42 0.43 -0.40 0.82 -0.57 0.00 0.00 179.45 179.31 1jr5 h ILE 57 N 0.00 0.16 -0.47 1.86 2.04 0.18 0.28 117.51 121.55 1jr5 h ILE 57 Ca -0.00 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1jr5 h ILE 57 Cb 0.81 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1jr5 h ILE 57 CO 0.06 0.00 -0.03 0.58 0.00 0.00 0.00 178.15 178.76 1jr5 h VAL 58 N -1.15 1.25 -0.10 1.67 2.07 -0.34 0.35 116.25 120.00 1jr5 h VAL 58 Ca -0.12 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1jr5 h VAL 58 Cb 0.87 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1jr5 h VAL 58 CO 0.19 0.37 -0.01 -1.28 0.02 0.00 0.00 177.57 176.86 1jr5 h SER 59 N 0.74 0.12 -0.44 0.57 0.87 0.15 -0.82 113.55 114.74 1jr5 h SER 59 Ca 0.14 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1jr5 h SER 59 Cb 0.49 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1jr5 h SER 59 CO 0.02 0.16 0.00 -0.62 -0.53 0.00 0.00 176.83 175.86 1jr5 n GLU 60 N -4.45 3.15 -3.22 2.24 1.02 0.95 -4.94 120.64 115.39 1jr5 n GLU 60 Ca -0.01 -2.55 -0.39 0.00 -0.02 0.00 0.00 57.16 54.19 1jr5 n GLU 60 Cb 0.14 -1.63 -0.06 0.00 -0.02 0.00 0.00 31.44 29.87 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 -1.74 4.20 0.30 -4.62 1.98 0.12 -4.98 118.68 113.94 1jr5 s LEU 61 Ca 0.38 0.80 0.08 0.00 -2.89 0.00 0.00 54.13 52.50 1jr5 s LEU 61 Cb 0.25 -2.77 -0.04 0.00 0.66 0.00 0.00 46.19 44.29 1jr5 s LEU 61 CO 0.17 -0.14 0.12 0.28 -1.89 0.00 0.00 176.35 174.90 1jr5 s THR 62 N 1.30 3.46 -0.01 3.68 -1.32 -1.26 -4.94 115.64 116.55 1jr5 s THR 62 Ca 0.27 -1.68 0.28 0.00 -1.21 0.00 0.00 61.69 59.35 1jr5 s THR 62 Cb -0.16 -3.03 0.28 0.00 -1.51 0.00 0.00 72.50 68.08 1jr5 s THR 62 CO 0.11 -0.27 1.84 0.06 -2.21 0.00 0.00 174.62 174.15 1jr5 h GLN 63 N 1.61 0.00 -0.01 7.08 -0.00 -1.99 -0.40 115.11 121.40 1jr5 h GLN 63 Ca -0.45 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 57.94 1jr5 h GLN 63 Cb 1.25 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.75 1jr5 h GLN 63 CO 0.61 0.00 -1.03 0.93 -0.00 0.00 0.00 178.83 179.35 1jr5 h GLU 64 N 0.00 0.69 -0.33 0.06 5.08 -1.99 -1.24 114.58 116.85 1jr5 h GLU 64 Ca 0.00 -0.74 0.06 0.00 -1.00 0.00 0.00 59.36 57.69 1jr5 h GLU 64 Cb 0.05 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1jr5 h GLU 64 CO 0.00 1.31 0.23 0.22 -1.00 0.00 0.00 179.01 179.77 1jr5 h ASP 65 N 0.40 0.14 -0.17 1.42 1.82 -1.47 0.26 116.42 118.82 1jr5 h ASP 65 Ca -0.12 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.43 1jr5 h ASP 65 Cb 1.68 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.66 1jr5 h ASP 65 CO 0.20 0.09 -0.24 0.50 -1.61 0.00 0.00 179.24 178.18 1jr5 h LYS 66 N 0.16 0.46 -0.31 0.28 3.64 -1.24 -0.19 116.57 119.37 1jr5 h LYS 66 Ca 0.15 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1jr5 h LYS 66 Cb 0.39 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1jr5 h LYS 66 CO -0.02 0.86 0.14 0.87 -2.27 0.00 0.00 179.45 179.03 1jr5 h LYS 67 N 0.10 0.45 -0.56 1.90 1.79 0.25 0.43 116.57 120.93 1jr5 h LYS 67 Ca 0.02 -0.07 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1jr5 h LYS 67 Cb 0.81 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1jr5 h LYS 67 CO 0.06 0.44 0.06 1.15 -1.08 0.00 0.00 179.45 180.07 1jr5 h THR 68 N 0.36 1.26 0.00 -0.16 2.02 -0.60 -0.28 112.91 115.51 1jr5 h THR 68 Ca 0.11 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.22 1jr5 h THR 68 Cb 0.14 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1jr5 h THR 68 CO -0.01 0.37 -0.16 0.17 0.37 0.00 0.00 175.52 176.26 1jr5 h LEU 69 N 0.84 0.00 -0.52 2.58 -0.00 -0.94 -2.89 115.31 114.39 1jr5 h LEU 69 Ca 0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 57.88 57.88 1jr5 h LEU 69 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.12 1jr5 h LEU 69 CO 0.02 0.16 -0.64 0.40 -0.00 0.00 0.00 178.44 178.38 1jr5 h ILE 70 N 0.00 1.37 -1.42 0.15 2.04 0.21 0.38 117.51 120.23 1jr5 h ILE 70 Ca -0.00 -2.00 0.46 0.00 1.00 0.00 0.00 64.86 64.32 1jr5 h ILE 70 Cb 1.07 1.99 -0.12 0.00 -0.74 0.00 0.00 36.82 39.02 1jr5 h ILE 70 CO 0.02 0.60 0.94 -0.78 0.00 0.00 0.00 178.15 178.93 1jr5 h ASP 71 N 0.28 0.19 0.00 1.72 3.58 -0.82 0.54 116.42 121.90 1jr5 h ASP 71 Ca -0.01 0.12 -0.25 0.00 0.42 0.00 0.00 57.03 57.31 1jr5 h ASP 71 Cb 1.18 0.12 -0.05 0.00 1.72 0.00 0.00 39.33 42.31 1jr5 h ASP 71 CO 0.11 -0.18 -1.95 -0.62 -2.88 0.00 0.00 179.24 173.72 1jr5 n GLU 72 N -4.59 0.79 -2.15 0.28 1.02 -1.15 -4.60 120.64 110.24 1jr5 n GLU 72 Ca 0.39 0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 57.21 1jr5 n GLU 72 Cb 1.55 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 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 2.57 0.00 -0.32 3.01 0.13 -4.91 117.46 115.08 1jr5 n PHE 73 Ca -0.28 -2.53 0.00 0.00 1.01 0.00 0.00 57.45 55.65 1jr5 n PHE 73 Cb 0.85 -1.45 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 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 0.64 0.00 -0.31 4.37 3.02 0.16 -4.08 115.26 119.07 1jr5 n ASN 74 Ca 0.54 0.02 0.07 0.00 -0.03 0.00 0.00 54.58 55.17 1jr5 n ASN 74 Cb 0.29 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.04 2.30 -0.64 3.52 0.28 -1.26 -4.62 120.64 120.18 1jr5 n GLU 75 Ca 0.00 -2.29 0.07 0.00 -0.16 0.00 0.00 57.16 54.79 1jr5 n GLU 75 Cb 0.00 -1.41 0.33 0.00 1.43 0.00 0.00 31.44 31.78 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 -0.73 2.53 0.00 -1.84 0.00 -1.26 -4.18 105.19 99.71 1jr5 n GLY 76 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.77 0.00 0.59 1.61 -1.74 -1.26 -4.83 117.46 112.61 1jr5 n PHE 77 Ca 0.23 -0.02 0.07 0.00 -0.56 0.00 0.00 57.45 57.17 1jr5 n PHE 77 Cb 0.91 -0.00 0.33 0.00 1.52 0.00 0.00 39.48 42.23 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 -0.02 0.13 -0.01 3.97 4.07 -1.26 -1.77 120.64 125.75 1jr5 n GLU 78 Ca 0.00 0.19 0.01 0.00 -0.06 0.00 0.00 57.16 57.30 1jr5 n GLU 78 Cb 0.34 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.23 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 -0.12 1.67 0.07 8.31 0.00 -1.26 -4.42 105.19 109.44 1jr5 n GLY 79 Ca 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.43 0.16 0.11 1.61 3.14 -0.99 -3.83 118.33 118.11 1jr5 n VAL 80 Ca 0.01 -0.06 -0.03 0.00 -2.96 0.00 0.00 64.34 61.29 1jr5 n VAL 80 Cb 0.34 -0.66 0.13 0.00 -1.06 0.00 0.00 33.84 32.58 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 -0.01 0.12 0.06 1.45 3.20 -1.64 -1.64 116.97 118.52 1jr5 h TYR 81 Ca -0.06 -0.05 -0.26 0.00 3.14 0.00 0.00 58.73 61.50 1jr5 h TYR 81 Cb 1.10 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 1jr5 h TYR 81 CO 0.00 0.72 -1.25 0.00 -1.64 0.00 0.00 178.16 175.99 1jr5 h ARG 82 N 0.07 0.13 0.22 1.82 2.47 -1.77 -3.34 114.38 113.97 1jr5 h ARG 82 Ca -0.01 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1jr5 h ARG 82 Cb 1.16 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 1jr5 h ARG 82 CO 0.09 1.03 -0.11 1.88 0.56 0.00 0.00 179.97 183.43 1jr5 h TYR 83 N 0.03 -0.27 -0.70 3.04 -1.99 -1.61 -2.50 116.97 112.97 1jr5 h TYR 83 Ca -0.12 -0.01 0.20 0.00 2.00 0.00 0.00 58.73 60.80 1jr5 h TYR 83 Cb 1.90 0.09 -0.03 0.00 2.00 0.00 0.00 36.73 40.70 1jr5 h TYR 83 CO 0.03 -0.07 0.58 1.37 -0.00 0.00 0.00 178.16 180.07 1jr5 h LEU 84 N -0.42 0.00 0.10 3.88 8.10 -1.43 -1.13 115.31 124.41 1jr5 h LEU 84 Ca -0.03 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.96 1jr5 h LEU 84 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1jr5 h LEU 84 CO 0.05 0.00 -0.05 -0.08 -4.11 0.00 0.00 178.44 174.25 1jr5 h GLU 85 N 0.00 -0.13 -0.62 0.17 4.57 -1.56 0.78 114.58 117.80 1jr5 h GLU 85 Ca 0.33 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.66 1jr5 h GLU 85 Cb 1.49 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 30.07 1jr5 h GLU 85 CO -0.00 0.35 0.42 0.52 -1.18 0.00 0.00 179.01 179.12 1jr5 h MET 86 N -0.92 0.21 0.02 1.92 2.86 -0.90 0.99 114.93 119.12 1jr5 h MET 86 Ca -0.01 -0.01 -0.30 0.00 -2.06 0.00 0.00 59.70 57.32 1jr5 h MET 86 Cb 0.54 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1jr5 h MET 86 CO 0.02 0.14 -1.69 1.88 1.06 0.00 0.00 176.91 178.32 1jr5 h TYR 87 N 0.22 0.09 -1.74 -0.22 0.05 -1.29 -3.43 116.97 110.65 1jr5 h TYR 87 Ca 0.30 -0.07 -0.34 0.00 0.05 0.00 0.00 58.73 58.67 1jr5 h TYR 87 Cb 0.86 -0.00 -0.28 0.00 1.01 0.00 0.00 36.73 38.32 1jr5 h TYR 87 CO -0.00 1.13 -0.68 0.95 -1.05 0.00 0.00 178.16 178.51 1jr5 s THR 88 N -2.60 -0.40 0.26 -2.88 -4.23 0.27 -4.08 115.64 101.97 1jr5 s THR 88 Ca -0.07 -1.22 -0.13 0.00 -1.18 0.00 0.00 61.69 59.10 1jr5 s THR 88 Cb 0.08 -0.58 -0.08 0.00 1.34 0.00 0.00 72.50 73.26 1jr5 s THR 88 CO 0.82 -0.54 0.63 0.54 -0.54 0.00 0.00 174.62 175.53 1jr5 s ASN 89 N 1.09 6.72 0.00 3.99 4.22 0.32 -3.79 114.94 127.49 1jr5 s ASN 89 Ca 0.23 1.10 0.26 0.00 -2.14 0.00 0.00 52.86 52.30 1jr5 s ASN 89 Cb -0.08 -2.30 0.61 0.00 1.28 0.00 0.00 41.25 40.77 1jr5 s ASN 89 CO -0.07 -0.11 1.50 2.29 -2.04 0.00 0.00 177.10 178.68