#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 0.32 -4.20 7.83 0.23 -1.26 -4.87 115.26 113.31 1jr5 n ASN 2 Ca 0.00 -2.13 -0.12 0.00 -0.53 0.00 0.00 54.58 51.80 1jr5 n ASN 2 Cb 0.00 -0.23 -0.10 0.00 -2.08 0.00 0.00 39.78 37.37 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1jr5 s LYS 3 N -0.33 1.01 0.19 -3.83 3.01 -1.26 -5.04 119.74 113.49 1jr5 s LYS 3 Ca 0.06 -1.47 -0.12 0.00 -1.01 0.00 0.00 55.97 53.43 1jr5 s LYS 3 Cb 0.06 -0.12 0.14 0.00 -1.01 0.00 0.00 37.83 36.90 1jr5 s LYS 3 CO -0.01 -0.15 1.84 -0.91 0.51 0.00 0.00 175.35 176.64 1jr5 h ASN 4 N 2.79 0.65 -1.51 2.83 4.21 -1.96 -2.44 115.58 120.16 1jr5 h ASN 4 Ca -0.36 -0.00 0.47 0.00 1.21 0.00 0.00 56.30 57.62 1jr5 h ASN 4 Cb 1.19 -0.14 -0.11 0.00 -1.12 0.00 0.00 38.32 38.14 1jr5 h ASN 4 CO 0.62 0.46 1.02 -0.29 -1.29 0.00 0.00 177.43 177.95 1jr5 h ILE 5 N 0.78 0.10 0.28 2.81 2.10 -1.95 0.49 117.51 122.13 1jr5 h ILE 5 Ca 0.25 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 66.16 1jr5 h ILE 5 Cb -0.01 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 35.78 1jr5 h ILE 5 CO -0.09 0.01 -0.14 0.44 -1.08 0.00 0.00 178.15 177.29 1jr5 h ASP 6 N 0.05 -0.32 0.18 2.19 3.32 -1.86 0.18 116.42 120.16 1jr5 h ASP 6 Ca 0.84 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.90 1jr5 h ASP 6 Cb 2.92 0.08 0.00 0.00 0.22 0.00 0.00 39.33 42.55 1jr5 h ASP 6 CO -0.27 -0.09 0.00 0.74 -1.72 0.00 0.00 179.24 177.90 1jr5 h THR 7 N -0.65 0.00 0.00 0.35 2.02 -1.39 -1.29 112.91 111.95 1jr5 h THR 7 Ca -0.04 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1jr5 h THR 7 Cb 0.29 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1jr5 h THR 7 CO 0.06 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 176.51 1jr5 h VAL 8 N 0.00 0.00 -1.02 3.16 2.07 -0.03 0.34 116.25 120.76 1jr5 h VAL 8 Ca 0.00 -0.93 0.25 0.00 0.82 0.00 0.00 66.70 66.84 1jr5 h VAL 8 Cb 0.09 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.76 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 -0.93 0.46 0.01 1.57 3.08 -0.35 0.29 114.38 118.50 1jr5 h ARG 9 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1jr5 h ARG 9 Cb 0.02 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1jr5 h ARG 9 CO 0.00 0.30 -0.01 1.05 -1.07 0.00 0.00 179.97 180.25 1jr5 h GLU 10 N 0.47 -0.02 -0.38 0.04 4.11 -1.35 -2.09 114.58 115.36 1jr5 h GLU 10 Ca 0.60 0.00 0.08 0.00 0.07 0.00 0.00 59.36 60.11 1jr5 h GLU 10 Cb 1.37 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.54 1jr5 h GLU 10 CO -0.34 0.63 -0.22 0.82 0.07 0.00 0.00 179.01 179.97 1jr5 h ILE 11 N -0.68 0.39 0.78 -1.06 2.04 0.14 0.22 117.51 119.34 1jr5 h ILE 11 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 1jr5 h ILE 11 Cb 0.65 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1jr5 h ILE 11 CO 0.00 0.00 -0.45 0.16 0.00 0.00 0.00 178.15 177.86 1jr5 h ILE 12 N -0.15 0.09 -0.14 -0.67 3.07 -0.63 -1.27 117.51 117.81 1jr5 h ILE 12 Ca 0.19 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.62 1jr5 h ILE 12 Cb 0.44 0.09 -0.04 0.00 -0.27 0.00 0.00 36.82 37.05 1jr5 h ILE 12 CO -0.48 0.00 -0.31 0.74 -1.05 0.00 0.00 178.15 177.06 1jr5 h THR 13 N -1.15 0.00 -0.01 0.16 2.02 -0.87 0.60 112.91 113.66 1jr5 h THR 13 Ca -0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.09 1jr5 h THR 13 Cb 0.91 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.27 1jr5 h THR 13 CO 0.13 0.00 -0.44 -0.37 0.37 0.00 0.00 175.52 175.21 1jr5 h VAL 14 N -0.28 0.00 -0.96 3.16 -1.51 -0.59 0.52 116.25 116.59 1jr5 h VAL 14 Ca 0.03 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.78 1jr5 h VAL 14 Cb 0.36 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.48 1jr5 h VAL 14 CO -0.28 0.00 0.69 0.00 -1.23 0.00 0.00 177.57 176.75 1jr5 h ALA 15 N -0.62 2.91 -0.17 5.19 0.00 -1.10 0.88 119.26 126.34 1jr5 h ALA 15 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1jr5 h ALA 15 Cb 0.58 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jr5 h ALA 15 CO -0.30 -1.18 -0.64 0.66 0.00 0.00 0.00 179.25 177.78 1jr5 h SER 16 N 0.00 0.72 -0.80 0.00 4.64 0.96 -0.97 113.55 118.10 1jr5 h SER 16 Ca 0.46 -0.42 0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1jr5 h SER 16 Cb 1.83 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 63.65 1jr5 h SER 16 CO -0.01 1.18 0.48 0.40 -0.87 0.00 0.00 176.83 178.01 1jr5 h ILE 17 N 0.46 1.00 0.26 0.95 2.04 0.28 0.43 117.51 122.92 1jr5 h ILE 17 Ca -0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 1jr5 h ILE 17 Cb 1.23 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1jr5 h ILE 17 CO 0.12 0.16 -0.22 -0.07 0.00 0.00 0.00 178.15 178.15 1jr5 h LEU 18 N 0.87 -0.57 -1.88 1.44 3.38 -0.94 0.13 115.31 117.73 1jr5 h LEU 18 Ca 0.36 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.42 1jr5 h LEU 18 Cb 0.20 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1jr5 h LEU 18 CO -0.19 -0.33 0.17 0.40 0.09 0.00 0.00 178.44 178.59 1jr5 h ILE 19 N -0.49 0.96 0.00 1.22 2.04 -0.03 0.94 117.51 122.14 1jr5 h ILE 19 Ca -0.01 -0.05 -0.19 0.00 1.00 0.00 0.00 64.86 65.61 1jr5 h ILE 19 Cb 0.44 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1jr5 h ILE 19 CO -0.03 0.03 -0.89 0.50 0.00 0.00 0.00 178.15 177.76 1jr5 h LYS 20 N 0.15 0.00 -0.97 2.37 3.64 0.55 -3.10 116.57 119.22 1jr5 h LYS 20 Ca 0.11 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.27 1jr5 h LYS 20 Cb 0.25 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.94 1jr5 h LYS 20 CO -0.02 0.89 0.27 1.19 -2.27 0.00 0.00 179.45 179.52 1jr5 n PHE 21 N -3.47 1.44 -2.75 1.91 3.72 0.37 -4.82 117.46 113.87 1jr5 n PHE 21 Ca -0.00 -1.04 -0.21 0.00 -0.05 0.00 0.00 57.45 56.15 1jr5 n PHE 21 Cb 0.85 -0.55 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 1jr5 n PHE 21 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1jr5 n SER 22 N -0.22 -5.70 -1.34 4.37 7.64 -1.11 -4.87 113.62 112.40 1jr5 n SER 22 Ca 0.27 -0.15 -0.06 0.00 1.01 0.00 0.00 58.87 59.95 1jr5 n SER 22 Cb 1.03 -4.68 0.21 0.00 -1.01 0.00 0.00 64.21 59.76 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jr5 n ARG 23 N -3.51 2.18 0.30 1.43 5.12 0.31 -4.63 116.66 117.86 1jr5 n ARG 23 Ca -0.16 -3.10 0.17 0.00 -1.93 0.00 0.00 57.85 52.82 1jr5 n ARG 23 Cb 0.64 -1.90 0.89 0.00 -1.16 0.00 0.00 32.46 30.93 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 1.22 0.00 -0.41 5.56 4.81 -1.78 0.41 114.58 124.39 1jr5 h GLU 24 Ca 0.26 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 1jr5 h GLU 24 Cb 1.86 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.22 1jr5 h GLU 24 CO 0.50 0.00 -0.03 0.22 -0.73 0.00 0.00 179.01 178.97 1jr5 h ASP 25 N 0.00 0.65 0.60 1.04 1.82 -1.93 0.67 116.42 119.28 1jr5 h ASP 25 Ca 0.00 -0.16 -0.28 0.00 -0.39 0.00 0.00 57.03 56.21 1jr5 h ASP 25 Cb 0.37 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.21 1jr5 h ASP 25 CO 0.00 0.74 -1.25 0.40 -1.61 0.00 0.00 179.24 177.53 1jr5 h ILE 26 N 0.64 1.48 0.00 2.25 2.04 -0.56 -3.24 117.51 120.11 1jr5 h ILE 26 Ca 0.13 -3.02 0.00 0.00 1.00 0.00 0.00 64.86 62.97 1jr5 h ILE 26 Cb 0.44 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 1jr5 h ILE 26 CO 0.02 0.88 0.00 0.58 0.00 0.00 0.00 178.15 179.63 1jr5 h VAL 27 N 0.08 0.00 -0.01 1.67 2.07 -0.96 -2.26 116.25 116.85 1jr5 h VAL 27 Ca -0.14 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1jr5 h VAL 27 Cb 1.97 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1jr5 h VAL 27 CO 0.21 0.00 -0.14 -0.62 0.02 0.00 0.00 177.57 177.03 1jr5 n GLU 28 N -2.80 1.24 -4.55 1.57 1.02 0.23 -4.72 120.64 112.64 1jr5 n GLU 28 Ca 0.04 -0.75 -0.22 0.00 -0.02 0.00 0.00 57.16 56.21 1jr5 n GLU 28 Cb 0.44 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.22 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 -2.27 1.49 0.14 1.62 2.47 -1.22 -4.73 114.94 112.43 1jr5 s ASN 29 Ca 0.30 -0.23 -0.18 0.00 0.42 0.00 0.00 52.86 53.17 1jr5 s ASN 29 Cb 0.20 -0.28 -0.01 0.00 -1.45 0.00 0.00 41.25 39.71 1jr5 s ASN 29 CO 0.44 0.12 1.76 0.08 -3.72 0.00 0.00 177.10 175.77 1jr5 h ARG 30 N 6.08 0.22 -0.15 0.43 0.11 -1.86 0.23 114.38 119.45 1jr5 h ARG 30 Ca -0.33 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 59.75 1jr5 h ARG 30 Cb 1.17 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 1jr5 h ARG 30 CO 0.49 0.15 0.04 0.00 0.10 0.00 0.00 179.97 180.75 1jr5 h ALA 31 N 1.16 0.16 -0.61 0.08 0.00 -1.96 0.45 119.26 118.53 1jr5 h ALA 31 Ca 0.11 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1jr5 h ALA 31 Cb 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1jr5 h ALA 31 CO -0.11 -0.40 0.06 -0.91 0.00 0.00 0.00 179.25 177.90 1jr5 h ASN 32 N 0.11 1.00 -0.42 0.00 2.35 -1.74 0.32 115.58 117.21 1jr5 h ASN 32 Ca 0.07 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1jr5 h ASN 32 Cb 0.05 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1jr5 h ASN 32 CO -0.07 1.03 0.21 0.15 -1.65 0.00 0.00 177.43 177.09 1jr5 h PHE 33 N 0.94 0.60 -0.34 1.19 3.04 0.09 0.52 116.94 122.99 1jr5 h PHE 33 Ca 0.18 -0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.02 1jr5 h PHE 33 Cb 0.48 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1jr5 h PHE 33 CO 0.04 0.49 -0.14 0.82 -2.02 0.00 0.00 178.31 177.49 1jr5 h ILE 34 N 0.54 1.29 -0.81 1.41 2.04 0.09 -1.51 117.51 120.55 1jr5 h ILE 34 Ca 0.14 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.74 1jr5 h ILE 34 Cb 0.11 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1jr5 h ILE 34 CO -0.02 0.40 0.38 0.00 0.00 0.00 0.00 178.15 178.91 1jr5 h ALA 35 N 0.79 1.04 0.00 1.87 0.00 -0.13 0.48 119.26 123.31 1jr5 h ALA 35 Ca 0.08 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jr5 h ALA 35 Cb 0.66 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1jr5 h ALA 35 CO 0.04 0.62 -0.19 0.35 0.00 0.00 0.00 179.25 180.07 1jr5 h PHE 36 N 1.15 -0.51 -0.13 0.00 3.57 0.27 0.54 116.94 121.83 1jr5 h PHE 36 Ca 0.28 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1jr5 h PHE 36 Cb 0.14 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1jr5 h PHE 36 CO 0.01 -0.28 0.02 -0.07 -2.23 0.00 0.00 178.31 175.77 1jr5 h LEU 37 N -0.32 0.16 0.00 0.59 3.38 -0.92 -1.34 115.31 116.86 1jr5 h LEU 37 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jr5 h LEU 37 Cb 0.39 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1jr5 h LEU 37 CO -0.18 0.18 -0.14 -1.13 0.09 0.00 0.00 178.44 177.26 1jr5 h ASN 38 N 0.18 0.00 0.01 -0.43 -1.24 0.89 -0.63 115.58 114.37 1jr5 h ASN 38 Ca 0.05 -0.03 -0.40 0.00 0.71 0.00 0.00 56.30 56.63 1jr5 h ASN 38 Cb 0.09 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.08 1jr5 h ASN 38 CO -0.00 0.01 -2.37 -1.84 -1.29 0.00 0.00 177.43 171.94 1jr5 n GLU 39 N -2.55 0.64 0.13 6.67 0.28 0.17 -4.44 120.64 121.54 1jr5 n GLU 39 Ca 0.04 0.23 -0.00 0.00 -0.16 0.00 0.00 57.16 57.27 1jr5 n GLU 39 Cb 0.47 -1.55 0.28 0.00 1.43 0.00 0.00 31.44 32.07 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 -0.37 1.30 0.00 3.84 -2.65 -1.48 -3.47 117.51 114.68 1jr5 h ILE 40 Ca -0.59 -1.44 0.00 0.00 1.03 0.00 0.00 64.86 63.87 1jr5 h ILE 40 Cb 1.79 1.69 0.00 0.00 -2.05 0.00 0.00 36.82 38.25 1jr5 h ILE 40 CO -0.18 0.42 0.00 0.61 0.03 0.00 0.00 178.15 179.03 1jr5 n GLY 41 N -0.29 1.00 3.84 0.16 0.00 -1.22 -5.13 105.19 103.55 1jr5 n GLY 41 Ca -0.02 0.00 -0.37 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 5.28 0.32 1.61 1.01 -0.24 -5.05 120.40 121.33 1jr5 s VAL 42 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 1jr5 s VAL 42 Cb 0.00 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 1jr5 s VAL 42 CO 0.00 0.62 0.46 0.42 0.00 0.00 0.00 175.10 176.59 1jr5 s THR 43 N -0.99 0.00 -0.05 3.92 -4.23 -1.26 -3.85 115.64 109.18 1jr5 s THR 43 Ca 0.15 -1.58 0.07 0.00 -1.18 0.00 0.00 61.69 59.14 1jr5 s THR 43 Cb -0.12 -2.55 0.10 0.00 1.34 0.00 0.00 72.50 71.27 1jr5 s THR 43 CO 0.04 0.00 0.98 1.57 -0.54 0.00 0.00 174.62 176.67 1jr5 n HIS 44 N -0.51 0.00 0.00 3.99 -0.00 -1.07 -4.58 115.22 113.06 1jr5 n HIS 44 Ca 0.00 -0.41 0.00 0.00 0.46 0.00 0.00 57.72 57.77 1jr5 n HIS 44 Cb 0.62 -0.08 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 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 -0.56 0.00 -0.97 1.57 0.28 -1.26 -4.91 120.64 114.79 1jr5 n GLU 45 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.06 1jr5 n GLU 45 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 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 0.39 3.07 -1.84 0.00 -1.26 -4.97 105.19 100.58 1jr5 n GLY 46 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.61 0.22 0.00 1.61 1.81 -1.26 -5.05 118.95 115.68 1jr5 s ARG 47 Ca 0.00 0.49 0.00 0.00 -1.72 0.00 0.00 55.73 54.50 1jr5 s ARG 47 Cb 0.00 -0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.43 1jr5 s ARG 47 CO 0.00 -0.14 0.00 0.36 -0.68 0.00 0.00 175.30 174.84 1jr5 n LYS 48 N 3.95 3.06 -4.20 3.54 -0.00 -1.25 -2.60 118.16 120.66 1jr5 n LYS 48 Ca -0.23 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 57.89 1jr5 n LYS 48 Cb 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.45 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 2.27 -0.19 -5.58 1.43 -1.26 -4.63 118.68 110.71 1jr5 s LEU 49 Ca 0.00 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.43 1jr5 s LEU 49 Cb 0.00 -0.58 -0.21 0.00 0.03 0.00 0.00 46.19 45.43 1jr5 s LEU 49 CO 0.00 -0.05 0.06 -3.20 0.23 0.00 0.00 176.35 173.40 1jr5 n ASN 50 N 1.29 2.04 0.00 2.29 5.15 -1.26 -4.82 115.26 119.95 1jr5 n ASN 50 Ca -0.21 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 1jr5 n ASN 50 Cb 0.54 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 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 -3.52 0.00 -0.08 1.20 1.13 -1.26 -4.98 117.38 109.88 1jr5 n GLN 51 Ca -0.39 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.59 1jr5 n GLN 51 Cb 0.99 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 31.21 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 1.11 -0.31 1.08 0.23 -1.26 -4.57 115.26 111.54 1jr5 n ASN 52 Ca 0.00 -0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.23 1jr5 n ASN 52 Cb 0.00 0.88 0.36 0.00 -2.08 0.00 0.00 39.78 38.95 1jr5 n ASN 52 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1jr5 h SER 53 N 0.00 0.08 0.80 0.53 0.87 -1.95 0.00 113.55 113.88 1jr5 h SER 53 Ca -0.43 0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 1jr5 h SER 53 Cb 1.97 0.27 0.01 0.00 -0.44 0.00 0.00 62.40 64.21 1jr5 h SER 53 CO 0.02 -0.21 -0.39 0.15 -0.53 0.00 0.00 176.83 175.88 1jr5 h PHE 54 N 0.18 -1.00 -0.91 2.24 3.04 -1.98 0.42 116.94 118.93 1jr5 h PHE 54 Ca 0.63 -0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.75 1jr5 h PHE 54 Cb 1.37 0.33 -0.11 0.00 2.56 0.00 0.00 35.95 40.11 1jr5 h PHE 54 CO -0.22 -0.61 0.48 0.00 -2.02 0.00 0.00 178.31 175.94 1jr5 h ARG 55 N -1.21 0.57 0.00 1.11 3.08 -1.44 0.45 114.38 116.93 1jr5 h ARG 55 Ca -0.11 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 1jr5 h ARG 55 Cb 0.84 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1jr5 h ARG 55 CO 0.18 0.38 -0.53 0.87 -1.07 0.00 0.00 179.97 179.80 1jr5 h LYS 56 N 0.59 0.00 0.13 0.04 1.57 -0.97 -0.89 116.57 117.04 1jr5 h LYS 56 Ca 0.54 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.32 1jr5 h LYS 56 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1jr5 h LYS 56 CO -0.43 0.53 -0.15 0.97 -0.57 0.00 0.00 179.45 179.80 1jr5 h ILE 57 N 0.00 0.67 -0.23 1.86 2.10 0.45 0.83 117.51 123.19 1jr5 h ILE 57 Ca -0.01 0.00 -0.11 0.00 1.08 0.00 0.00 64.86 65.82 1jr5 h ILE 57 Cb 1.22 0.67 -0.00 0.00 -1.09 0.00 0.00 36.82 37.61 1jr5 h ILE 57 CO 0.07 0.00 -0.30 -0.37 -1.08 0.00 0.00 178.15 176.47 1jr5 h VAL 58 N -0.31 1.32 -0.30 2.19 -1.51 -1.25 -1.38 116.25 115.01 1jr5 h VAL 58 Ca 0.01 -1.49 0.09 0.00 -1.23 0.00 0.00 66.70 64.08 1jr5 h VAL 58 Cb 0.31 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 1jr5 h VAL 58 CO -0.05 0.46 0.29 0.77 -1.23 0.00 0.00 177.57 177.82 1jr5 h SER 59 N 0.32 0.00 0.08 4.19 4.64 -0.88 0.33 113.55 122.22 1jr5 h SER 59 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jr5 h SER 59 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1jr5 h SER 59 CO 0.07 0.00 -0.94 -0.62 -0.87 0.00 0.00 176.83 174.47 1jr5 n GLU 60 N -3.92 0.01 -3.31 4.77 1.02 0.26 -4.89 120.64 114.59 1jr5 n GLU 60 Ca 0.04 -0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.80 1jr5 n GLU 60 Cb 0.45 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 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 -3.03 4.38 0.46 -4.62 0.20 0.11 -5.07 118.68 111.12 1jr5 s LEU 61 Ca 0.08 1.00 0.06 0.00 0.69 0.00 0.00 54.13 55.97 1jr5 s LEU 61 Cb 0.16 -2.77 -0.02 0.00 -0.43 0.00 0.00 46.19 43.14 1jr5 s LEU 61 CO 0.84 0.12 0.27 0.28 -0.29 0.00 0.00 176.35 177.57 1jr5 s THR 62 N -0.12 2.08 0.54 3.68 -1.32 -1.26 -4.86 115.64 114.38 1jr5 s THR 62 Ca 0.28 -1.59 0.35 0.00 -1.21 0.00 0.00 61.69 59.51 1jr5 s THR 62 Cb -0.17 -2.67 0.35 0.00 -1.51 0.00 0.00 72.50 68.50 1jr5 s THR 62 CO 0.14 0.00 2.07 0.06 -2.21 0.00 0.00 174.62 174.68 1jr5 h GLN 63 N 1.14 0.00 0.10 7.08 -0.00 -1.98 -1.09 115.11 120.37 1jr5 h GLN 63 Ca -0.41 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.02 1jr5 h GLN 63 Cb 1.27 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.78 1jr5 h GLN 63 CO 0.64 0.00 -0.92 0.93 -0.00 0.00 0.00 178.83 179.49 1jr5 h GLU 64 N 0.00 0.44 -0.37 0.06 4.39 -1.99 -1.49 114.58 115.62 1jr5 h GLU 64 Ca 0.00 -0.61 -0.02 0.00 0.34 0.00 0.00 59.36 59.08 1jr5 h GLU 64 Cb 0.29 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 1jr5 h GLU 64 CO 0.00 1.26 0.16 0.22 -1.16 0.00 0.00 179.01 179.49 1jr5 h ASP 65 N -0.09 0.46 0.61 1.42 1.82 -1.61 -1.40 116.42 117.63 1jr5 h ASP 65 Ca -0.14 -0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.43 1jr5 h ASP 65 Cb 1.66 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.56 1jr5 h ASP 65 CO 0.18 0.40 -0.34 0.50 -1.61 0.00 0.00 179.24 178.37 1jr5 h LYS 66 N 0.51 -0.85 -0.81 0.28 3.64 -1.31 0.22 116.57 118.25 1jr5 h LYS 66 Ca 0.13 0.06 0.16 0.00 -1.27 0.00 0.00 60.65 59.72 1jr5 h LYS 66 Cb 0.08 0.19 -0.15 0.00 -0.41 0.00 0.00 32.23 31.94 1jr5 h LYS 66 CO -0.02 -0.56 -0.24 0.87 -2.27 0.00 0.00 179.45 177.23 1jr5 h LYS 67 N -0.88 -0.02 -0.00 1.90 1.79 -0.72 1.30 116.57 119.94 1jr5 h LYS 67 Ca -0.08 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1jr5 h LYS 67 Cb 0.69 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1jr5 h LYS 67 CO 0.11 -0.01 -0.02 1.15 -1.08 0.00 0.00 179.45 179.59 1jr5 h THR 68 N -0.02 1.01 0.00 -0.16 2.02 -1.11 0.17 112.91 114.83 1jr5 h THR 68 Ca 0.37 -0.07 -0.18 0.00 0.77 0.00 0.00 66.41 67.31 1jr5 h THR 68 Cb 0.60 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1jr5 h THR 68 CO -0.84 0.02 -0.85 0.25 0.37 0.00 0.00 175.52 174.47 1jr5 h LEU 69 N 0.00 0.00 -0.73 2.58 7.12 0.35 -3.11 115.31 121.51 1jr5 h LEU 69 Ca -0.00 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.90 1jr5 h LEU 69 Cb 0.03 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.15 1jr5 h LEU 69 CO 0.00 0.85 -0.54 0.40 -0.13 0.00 0.00 178.44 179.02 1jr5 h ILE 70 N 0.00 1.20 -1.33 4.05 2.04 0.29 -3.00 117.51 120.77 1jr5 h ILE 70 Ca -0.01 -1.98 0.39 0.00 1.00 0.00 0.00 64.86 64.26 1jr5 h ILE 70 Cb 1.60 2.13 -0.08 0.00 -0.74 0.00 0.00 36.82 39.72 1jr5 h ILE 70 CO 0.11 0.53 0.92 -0.78 0.00 0.00 0.00 178.15 178.93 1jr5 h ASP 71 N 0.00 0.16 0.00 1.72 3.58 -0.92 0.37 116.42 121.33 1jr5 h ASP 71 Ca -0.01 0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.40 1jr5 h ASP 71 Cb 1.08 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 1jr5 h ASP 71 CO 0.07 -0.03 -1.00 -0.62 -2.88 0.00 0.00 179.24 174.79 1jr5 n GLU 72 N -4.36 0.51 -2.47 0.28 1.02 -1.18 -4.53 120.64 109.90 1jr5 n GLU 72 Ca 0.32 0.44 -0.42 0.00 -0.02 0.00 0.00 57.16 57.48 1jr5 n GLU 72 Cb 1.35 -1.62 0.01 0.00 -0.02 0.00 0.00 31.44 31.15 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 -4.50 2.65 0.00 -0.32 3.72 -0.70 -4.90 117.46 113.40 1jr5 n PHE 73 Ca -0.19 -2.71 0.00 0.00 -0.05 0.00 0.00 57.45 54.50 1jr5 n PHE 73 Cb 0.48 -1.66 0.00 0.00 -0.94 0.00 0.00 39.48 37.35 1jr5 n PHE 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1jr5 n ASN 74 N 2.35 0.00 -1.43 4.37 3.02 0.12 -3.88 115.26 119.81 1jr5 n ASN 74 Ca 0.41 0.15 0.08 0.00 -0.03 0.00 0.00 54.58 55.20 1jr5 n ASN 74 Cb 0.32 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 39.82 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 -0.25 3.72 -0.73 3.52 0.28 -1.26 -4.39 120.64 121.53 1jr5 n GLU 75 Ca 0.00 -2.85 -0.01 0.00 -0.16 0.00 0.00 57.16 54.14 1jr5 n GLU 75 Cb 0.00 -1.89 0.20 0.00 1.43 0.00 0.00 31.44 31.19 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 0.70 4.88 0.00 -1.84 0.00 -1.25 -4.53 105.19 103.15 1jr5 n GLY 76 Ca 0.24 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.09 0.00 0.95 1.61 -1.74 -1.25 -4.78 117.46 111.16 1jr5 n PHE 77 Ca 0.30 -0.07 0.09 0.00 -0.56 0.00 0.00 57.45 57.21 1jr5 n PHE 77 Cb 0.96 -0.01 0.49 0.00 1.52 0.00 0.00 39.48 42.45 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 -0.07 0.35 -0.16 3.97 4.07 -1.26 -1.76 120.64 125.77 1jr5 n GLU 78 Ca 0.00 0.08 0.05 0.00 -0.06 0.00 0.00 57.16 57.23 1jr5 n GLU 78 Cb 0.27 -1.50 0.07 0.00 -0.06 0.00 0.00 31.44 30.22 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 0.27 2.66 0.73 8.31 0.00 -1.26 -4.34 105.19 111.56 1jr5 n GLY 79 Ca 0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.12 1.61 3.14 -1.05 -4.09 118.33 117.30 1jr5 n VAL 80 Ca 0.08 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.43 1jr5 n VAL 80 Cb 0.58 -0.86 0.08 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 0.00 0.00 0.14 1.45 3.20 -1.64 -2.31 116.97 117.82 1jr5 h TYR 81 Ca 0.00 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.53 1jr5 h TYR 81 Cb 0.73 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.00 1jr5 h TYR 81 CO 0.00 0.71 -1.74 0.00 -1.64 0.00 0.00 178.16 175.49 1jr5 h ARG 82 N 0.00 0.31 -0.67 1.82 2.47 -1.76 -3.31 114.38 113.24 1jr5 h ARG 82 Ca -0.01 -0.52 -0.01 0.00 -1.26 0.00 0.00 59.98 58.18 1jr5 h ARG 82 Cb 1.31 0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 29.80 1jr5 h ARG 82 CO 0.09 1.19 0.37 1.88 0.56 0.00 0.00 179.97 184.06 1jr5 h TYR 83 N 0.08 0.91 0.00 3.04 -1.99 -1.70 -1.25 116.97 116.06 1jr5 h TYR 83 Ca -0.33 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.37 1jr5 h TYR 83 Cb 2.06 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 40.50 1jr5 h TYR 83 CO 0.08 0.64 -0.04 1.37 -0.00 0.00 0.00 178.16 180.22 1jr5 h LEU 84 N 0.91 0.00 0.06 3.88 8.10 -1.56 -1.86 115.31 124.84 1jr5 h LEU 84 Ca 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.22 1jr5 h LEU 84 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 1jr5 h LEU 84 CO -0.04 0.04 -0.03 -0.33 -4.11 0.00 0.00 178.44 173.97 1jr5 h GLU 85 N 0.00 -0.08 -1.27 0.17 5.08 -1.33 0.87 114.58 118.03 1jr5 h GLU 85 Ca -0.00 0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.73 1jr5 h GLU 85 Cb 0.06 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 1jr5 h GLU 85 CO 0.00 -0.05 0.87 0.00 -1.00 0.00 0.00 179.01 178.84 1jr5 h MET 86 N -0.21 0.12 0.03 2.33 -0.00 -1.31 1.09 114.93 116.98 1jr5 h MET 86 Ca -0.01 -0.01 -0.30 0.00 -0.00 0.00 0.00 59.70 59.38 1jr5 h MET 86 Cb 0.06 -0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 31.59 1jr5 h MET 86 CO 0.01 0.08 -1.72 1.88 -0.00 0.00 0.00 176.91 177.17 1jr5 h TYR 87 N 0.12 0.13 -1.76 -0.10 0.05 -1.42 -3.43 116.97 110.56 1jr5 h TYR 87 Ca 0.67 -0.09 -0.33 0.00 0.05 0.00 0.00 58.73 59.03 1jr5 h TYR 87 Cb 2.31 -0.01 -0.29 0.00 1.01 0.00 0.00 36.73 39.76 1jr5 h TYR 87 CO -0.00 1.18 -0.67 0.95 -1.05 0.00 0.00 178.16 178.57 1jr5 s THR 88 N -2.60 -0.41 0.04 -2.88 -4.23 0.30 -4.27 115.64 101.59 1jr5 s THR 88 Ca -0.08 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1jr5 s THR 88 Cb 0.08 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.31 1jr5 s THR 88 CO 0.82 -0.52 0.14 0.54 -0.54 0.00 0.00 174.62 175.05 1jr5 s ASN 89 N 1.22 5.98 0.00 3.99 4.22 0.30 -3.61 114.94 127.04 1jr5 s ASN 89 Ca 0.21 0.18 0.28 0.00 -2.14 0.00 0.00 52.86 51.38 1jr5 s ASN 89 Cb -0.10 -1.76 1.05 0.00 1.28 0.00 0.00 41.25 41.72 1jr5 s ASN 89 CO -0.05 0.21 1.74 2.29 -2.04 0.00 0.00 177.10 179.25