#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 0.20 -4.78 7.83 2.85 -1.26 -4.89 115.26 115.21 1jr5 n ASN 2 Ca 0.00 0.03 -0.31 0.00 -0.11 0.00 0.00 54.58 54.20 1jr5 n ASN 2 Cb 0.00 -0.06 0.09 0.00 1.24 0.00 0.00 39.78 41.05 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 -2.00 2.20 0.44 1.20 2.20 -1.26 -4.93 119.74 117.60 1jr5 s LYS 3 Ca 0.00 0.93 0.11 0.00 -0.36 0.00 0.00 55.97 56.65 1jr5 s LYS 3 Cb 0.00 -1.91 0.99 0.00 -1.51 0.00 0.00 37.83 35.40 1jr5 s LYS 3 CO 0.00 -1.61 2.06 -0.91 -0.36 0.00 0.00 175.35 174.53 1jr5 h ASN 4 N -1.09 0.34 -1.63 1.43 2.35 -1.94 -2.61 115.58 112.43 1jr5 h ASN 4 Ca -0.45 -0.01 0.52 0.00 -0.55 0.00 0.00 56.30 55.81 1jr5 h ASN 4 Cb 1.24 -0.08 -0.11 0.00 0.05 0.00 0.00 38.32 39.42 1jr5 h ASN 4 CO 0.55 0.24 1.11 0.00 -1.65 0.00 0.00 177.43 177.68 1jr5 n ILE 5 N -4.49 -0.15 0.02 2.81 3.06 -1.26 0.78 119.36 120.14 1jr5 n ILE 5 Ca 0.03 1.67 -0.01 0.00 -2.50 0.00 0.00 62.75 61.94 1jr5 n ILE 5 Cb 0.14 -2.75 -0.01 0.00 0.54 0.00 0.00 39.64 37.56 1jr5 n ILE 5 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 1jr5 h ASP 6 N 0.00 -0.06 0.06 9.51 3.32 -1.84 0.83 116.42 128.23 1jr5 h ASP 6 Ca 0.90 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.96 1jr5 h ASP 6 Cb 3.23 0.02 0.00 0.00 0.22 0.00 0.00 39.33 42.79 1jr5 h ASP 6 CO -0.28 0.00 0.00 0.74 -1.72 0.00 0.00 179.24 177.99 1jr5 h THR 7 N -0.17 0.00 0.13 0.35 2.02 -1.54 -0.85 112.91 112.85 1jr5 h THR 7 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1jr5 h THR 7 Cb 0.06 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1jr5 h THR 7 CO 0.01 0.00 -0.06 0.58 0.37 0.00 0.00 175.52 176.42 1jr5 h VAL 8 N 0.00 0.14 -1.04 3.16 2.07 0.30 0.17 116.25 121.05 1jr5 h VAL 8 Ca 0.00 -0.96 0.27 0.00 0.82 0.00 0.00 66.70 66.83 1jr5 h VAL 8 Cb 0.03 0.25 -0.11 0.00 -1.52 0.00 0.00 31.29 29.94 1jr5 h VAL 8 CO 0.00 0.04 0.64 0.03 0.02 0.00 0.00 177.57 178.30 1jr5 h ARG 9 N -1.04 0.45 -0.00 1.57 3.08 -0.19 0.41 114.38 118.65 1jr5 h ARG 9 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1jr5 h ARG 9 Cb 0.20 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1jr5 h ARG 9 CO 0.03 0.30 -0.10 1.05 -1.07 0.00 0.00 179.97 180.18 1jr5 h GLU 10 N 0.46 0.07 -0.58 0.04 4.11 -1.24 -2.04 114.58 115.40 1jr5 h GLU 10 Ca 0.63 -0.07 0.11 0.00 0.07 0.00 0.00 59.36 60.10 1jr5 h GLU 10 Cb 1.44 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.62 1jr5 h GLU 10 CO -0.40 0.83 0.09 0.82 0.07 0.00 0.00 179.01 180.42 1jr5 h ILE 11 N -0.65 0.61 0.68 -1.06 2.04 0.16 0.30 117.51 119.59 1jr5 h ILE 11 Ca -0.01 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1jr5 h ILE 11 Cb 0.86 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1jr5 h ILE 11 CO 0.02 0.04 -0.33 0.16 0.00 0.00 0.00 178.15 178.04 1jr5 h ILE 12 N 0.21 0.25 -0.06 -0.67 3.07 -0.38 -1.58 117.51 118.35 1jr5 h ILE 12 Ca 0.30 -0.18 0.02 0.00 1.55 0.00 0.00 64.86 66.56 1jr5 h ILE 12 Cb 0.46 0.30 -0.04 0.00 -0.27 0.00 0.00 36.82 37.27 1jr5 h ILE 12 CO -0.42 0.02 -0.33 0.74 -1.05 0.00 0.00 178.15 177.10 1jr5 h THR 13 N -1.05 0.00 -0.31 0.16 2.02 -0.79 0.27 112.91 113.22 1jr5 h THR 13 Ca -0.09 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.13 1jr5 h THR 13 Cb 0.73 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.08 1jr5 h THR 13 CO 0.15 0.00 -0.49 -0.37 0.37 0.00 0.00 175.52 175.19 1jr5 h VAL 14 N -0.37 0.00 -0.48 3.16 -1.51 -0.48 0.79 116.25 117.36 1jr5 h VAL 14 Ca 0.02 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.58 1jr5 h VAL 14 Cb 0.42 0.00 -0.10 0.00 -2.13 0.00 0.00 31.29 29.49 1jr5 h VAL 14 CO -0.26 0.00 -0.20 0.00 -1.23 0.00 0.00 177.57 175.88 1jr5 h ALA 15 N -0.25 0.17 -1.02 5.19 0.00 -1.10 0.88 119.26 123.13 1jr5 h ALA 15 Ca 0.06 0.17 0.29 0.00 0.00 0.00 0.00 54.91 55.43 1jr5 h ALA 15 Cb 0.54 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1jr5 h ALA 15 CO -0.49 -0.54 0.72 0.66 0.00 0.00 0.00 179.25 179.60 1jr5 h SER 16 N -0.09 0.04 0.00 0.00 4.64 0.90 0.64 113.55 119.69 1jr5 h SER 16 Ca 0.23 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1jr5 h SER 16 Cb 0.44 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1jr5 h SER 16 CO -0.54 0.01 -0.00 0.40 -0.87 0.00 0.00 176.83 175.83 1jr5 h ILE 17 N 0.04 1.32 -0.00 0.95 2.04 0.31 0.17 117.51 122.34 1jr5 h ILE 17 Ca 0.49 -0.96 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1jr5 h ILE 17 Cb 1.89 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1jr5 h ILE 17 CO -0.03 0.25 -0.01 -0.07 0.00 0.00 0.00 178.15 178.29 1jr5 h LEU 18 N -0.42 -0.03 -1.64 1.44 3.38 0.13 0.29 115.31 118.47 1jr5 h LEU 18 Ca -0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 1jr5 h LEU 18 Cb 0.41 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1jr5 h LEU 18 CO 0.00 -0.01 0.71 -0.29 0.09 0.00 0.00 178.44 178.94 1jr5 h ILE 19 N -0.01 0.51 -0.19 1.22 2.10 -1.23 1.04 117.51 120.95 1jr5 h ILE 19 Ca 0.00 -0.08 -0.09 0.00 1.08 0.00 0.00 64.86 65.77 1jr5 h ILE 19 Cb 0.01 0.26 -0.01 0.00 -1.09 0.00 0.00 36.82 35.99 1jr5 h ILE 19 CO -0.01 0.04 -0.29 0.50 -1.08 0.00 0.00 178.15 177.31 1jr5 h LYS 20 N 0.23 0.37 -0.89 2.19 3.11 0.89 -1.52 116.57 120.95 1jr5 h LYS 20 Ca 0.55 -0.14 -0.15 0.00 -2.81 0.00 0.00 60.65 58.10 1jr5 h LYS 20 Cb 1.71 -0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 32.83 1jr5 h LYS 20 CO -0.16 0.63 0.19 1.19 -2.81 0.00 0.00 179.45 178.49 1jr5 n PHE 21 N -4.11 1.45 -2.64 1.91 3.72 0.31 -4.82 117.46 113.29 1jr5 n PHE 21 Ca -0.01 -0.85 -0.18 0.00 -0.05 0.00 0.00 57.45 56.36 1jr5 n PHE 21 Cb 0.41 -0.49 0.01 0.00 -0.94 0.00 0.00 39.48 38.47 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 -0.05 -5.21 -1.59 4.37 7.64 -0.57 -4.90 113.62 113.31 1jr5 n SER 22 Ca 0.25 -0.14 -0.14 0.00 1.01 0.00 0.00 58.87 59.85 1jr5 n SER 22 Cb 0.98 -4.16 0.16 0.00 -1.01 0.00 0.00 64.21 60.18 1jr5 n SER 22 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1jr5 n ARG 23 N -3.10 2.18 0.19 1.43 3.00 0.13 -4.64 116.66 115.85 1jr5 n ARG 23 Ca -0.14 -3.27 0.11 0.00 -0.00 0.00 0.00 57.85 54.55 1jr5 n ARG 23 Cb 0.62 -1.99 0.61 0.00 0.00 0.00 0.00 32.46 31.71 1jr5 n ARG 23 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1jr5 h GLU 24 N 1.23 0.00 -0.62 -0.14 4.81 -1.77 0.10 114.58 118.19 1jr5 h GLU 24 Ca 0.36 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1jr5 h GLU 24 Cb 1.80 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.15 1jr5 h GLU 24 CO 0.70 0.00 0.09 0.22 -0.73 0.00 0.00 179.01 179.29 1jr5 h ASP 25 N 0.00 0.97 0.80 1.04 3.58 -1.95 0.67 116.42 121.54 1jr5 h ASP 25 Ca 0.00 -0.23 -0.24 0.00 0.42 0.00 0.00 57.03 56.98 1jr5 h ASP 25 Cb 0.19 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 1jr5 h ASP 25 CO 0.00 0.98 -1.17 0.40 -2.88 0.00 0.00 179.24 176.57 1jr5 h ILE 26 N 0.95 1.55 0.00 2.25 2.04 -1.19 -3.25 117.51 119.86 1jr5 h ILE 26 Ca 0.19 -3.21 0.00 0.00 1.00 0.00 0.00 64.86 62.84 1jr5 h ILE 26 Cb 0.43 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.36 1jr5 h ILE 26 CO 0.01 0.91 0.00 0.58 0.00 0.00 0.00 178.15 179.65 1jr5 h VAL 27 N 0.03 0.00 -0.01 1.67 2.07 -1.00 -2.93 116.25 116.08 1jr5 h VAL 27 Ca -0.09 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1jr5 h VAL 27 Cb 1.87 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1jr5 h VAL 27 CO 0.15 0.00 -0.08 -0.62 0.02 0.00 0.00 177.57 177.04 1jr5 n GLU 28 N -2.87 1.47 -4.38 1.57 1.02 0.23 -4.71 120.64 112.97 1jr5 n GLU 28 Ca 0.04 -0.90 -0.20 0.00 -0.02 0.00 0.00 57.16 56.08 1jr5 n GLU 28 Cb 0.45 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.15 1.53 0.05 1.62 2.47 -1.22 -4.47 114.94 112.78 1jr5 s ASN 29 Ca 0.33 -0.40 -0.22 0.00 0.42 0.00 0.00 52.86 53.00 1jr5 s ASN 29 Cb 0.20 -0.11 -0.13 0.00 -1.45 0.00 0.00 41.25 39.76 1jr5 s ASN 29 CO 0.39 0.05 1.51 -0.09 -3.72 0.00 0.00 177.10 175.24 1jr5 h ARG 30 N 5.15 0.19 -0.29 0.43 2.43 -1.86 -0.78 114.38 119.65 1jr5 h ARG 30 Ca -0.36 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1jr5 h ARG 30 Cb 1.18 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 1jr5 h ARG 30 CO 0.45 0.41 0.06 0.00 -1.51 0.00 0.00 179.97 179.38 1jr5 h ALA 31 N 0.78 0.30 -0.47 2.80 0.00 -1.96 0.32 119.26 121.03 1jr5 h ALA 31 Ca 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jr5 h ALA 31 Cb 0.31 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1jr5 h ALA 31 CO 0.00 -0.35 0.24 -0.91 0.00 0.00 0.00 179.25 178.23 1jr5 h ASN 32 N 0.17 0.60 -0.10 0.00 2.35 -1.78 0.03 115.58 116.83 1jr5 h ASN 32 Ca 0.13 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1jr5 h ASN 32 Cb 0.14 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1jr5 h ASN 32 CO -0.17 0.54 0.07 0.15 -1.65 0.00 0.00 177.43 176.36 1jr5 h PHE 33 N 0.61 0.13 -0.06 1.19 3.57 -0.61 0.51 116.94 122.28 1jr5 h PHE 33 Ca 0.16 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1jr5 h PHE 33 Cb 0.09 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1jr5 h PHE 33 CO -0.01 0.08 -0.01 0.82 -2.23 0.00 0.00 178.31 176.96 1jr5 h ILE 34 N 0.14 0.95 -0.57 1.41 2.04 -0.17 -0.93 117.51 120.37 1jr5 h ILE 34 Ca 0.04 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1jr5 h ILE 34 Cb -0.02 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 1jr5 h ILE 34 CO -0.01 0.00 0.30 0.00 0.00 0.00 0.00 178.15 178.45 1jr5 h ALA 35 N 1.06 0.74 -0.70 1.87 0.00 -0.80 -1.04 119.26 120.38 1jr5 h ALA 35 Ca 0.03 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.98 1jr5 h ALA 35 Cb 0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.50 1jr5 h ALA 35 CO -0.06 0.27 0.15 0.35 0.00 0.00 0.00 179.25 179.97 1jr5 h PHE 36 N 0.78 0.24 -0.54 0.00 3.57 0.48 0.52 116.94 121.98 1jr5 h PHE 36 Ca 0.20 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.70 1jr5 h PHE 36 Cb 0.07 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1jr5 h PHE 36 CO -0.01 -0.08 0.16 -0.07 -2.23 0.00 0.00 178.31 176.08 1jr5 h LEU 37 N 0.26 0.81 -0.81 0.59 3.38 -0.67 -1.63 115.31 117.23 1jr5 h LEU 37 Ca 0.39 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jr5 h LEU 37 Cb 0.64 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1jr5 h LEU 37 CO -0.49 0.81 0.00 -3.20 0.09 0.00 0.00 178.44 175.65 1jr5 n ASN 38 N -4.44 0.70 -0.13 -0.43 5.15 0.10 -1.23 115.26 114.98 1jr5 n ASN 38 Ca 0.02 0.68 -0.25 0.00 -0.60 0.00 0.00 54.58 54.44 1jr5 n ASN 38 Cb 0.21 -0.83 -0.11 0.00 -0.53 0.00 0.00 39.78 38.52 1jr5 n ASN 38 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1jr5 n GLU 39 N -2.29 0.62 0.11 1.20 0.28 0.14 -4.53 120.64 116.17 1jr5 n GLU 39 Ca 0.02 0.22 -0.03 0.00 -0.16 0.00 0.00 57.16 57.21 1jr5 n GLU 39 Cb 0.22 -1.51 0.17 0.00 1.43 0.00 0.00 31.44 31.74 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 -0.57 1.39 0.00 3.84 -2.65 -1.40 -3.47 117.51 114.65 1jr5 h ILE 40 Ca -0.64 -1.93 0.00 0.00 1.03 0.00 0.00 64.86 63.32 1jr5 h ILE 40 Cb 1.73 1.99 0.00 0.00 -2.05 0.00 0.00 36.82 38.50 1jr5 h ILE 40 CO -0.28 0.56 0.00 0.61 0.03 0.00 0.00 178.15 179.07 1jr5 n GLY 41 N 0.15 1.07 3.88 0.16 0.00 -1.06 -5.12 105.19 104.28 1jr5 n GLY 41 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1jr5 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jr5 s VAL 42 N -2.00 5.41 0.25 1.61 1.01 -0.37 -5.06 120.40 121.26 1jr5 s VAL 42 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1jr5 s VAL 42 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.93 1jr5 s VAL 42 CO 0.00 0.46 0.44 0.42 0.00 0.00 0.00 175.10 176.43 1jr5 s THR 43 N -1.18 0.00 -0.03 3.92 -4.23 -1.26 -3.62 115.64 109.25 1jr5 s THR 43 Ca 0.21 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 1jr5 s THR 43 Cb -0.12 -2.29 0.06 0.00 1.34 0.00 0.00 72.50 71.48 1jr5 s THR 43 CO 0.12 0.00 0.88 1.57 -0.54 0.00 0.00 174.62 176.64 1jr5 n HIS 44 N -0.39 0.00 0.00 3.99 -0.00 -0.87 -4.65 115.22 113.30 1jr5 n HIS 44 Ca -0.01 -0.33 0.00 0.00 0.46 0.00 0.00 57.72 57.84 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 -0.42 0.00 -1.00 1.57 0.28 -1.26 -4.92 120.64 114.90 1jr5 n GLU 45 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1jr5 n GLU 45 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 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 0.72 3.19 -1.84 0.00 -1.26 -4.99 105.19 101.01 1jr5 n GLY 46 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.03 0.43 0.00 1.61 1.81 -1.26 -5.05 118.95 116.46 1jr5 s ARG 47 Ca 0.00 0.22 0.00 0.00 -1.72 0.00 0.00 55.73 54.23 1jr5 s ARG 47 Cb 0.00 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.70 1jr5 s ARG 47 CO 0.00 -0.08 0.00 0.36 -0.68 0.00 0.00 175.30 174.90 1jr5 n LYS 48 N 2.45 2.97 -4.64 3.54 -0.00 -1.24 -2.05 118.16 119.18 1jr5 n LYS 48 Ca -0.16 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 57.92 1jr5 n LYS 48 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.46 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 2.09 -0.16 -5.58 1.43 -1.26 -4.51 118.68 110.69 1jr5 s LEU 49 Ca 0.00 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1jr5 s LEU 49 Cb 0.00 -0.81 -0.23 0.00 0.03 0.00 0.00 46.19 45.18 1jr5 s LEU 49 CO 0.00 0.15 0.20 0.59 0.23 0.00 0.00 176.35 177.52 1jr5 n ASN 50 N 2.33 2.07 0.00 2.29 3.02 -1.26 -4.77 115.26 118.95 1jr5 n ASN 50 Ca -0.16 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1jr5 n ASN 50 Cb 0.54 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jr5 n GLN 51 N -3.52 0.00 0.06 3.52 1.13 -1.26 -4.99 117.38 112.32 1jr5 n GLN 51 Ca -0.36 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.53 1jr5 n GLN 51 Cb 1.01 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 31.21 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 0.41 0.00 1.08 -0.73 -2.00 -3.36 115.58 110.98 1jr5 h ASN 52 Ca 0.00 -0.57 0.00 0.00 1.87 0.00 0.00 56.30 57.60 1jr5 h ASN 52 Cb 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.46 1jr5 h ASN 52 CO 0.00 1.48 0.00 -0.24 -0.37 0.00 0.00 177.43 178.30 1jr5 n SER 53 N -3.46 0.00 -0.29 1.15 2.88 -1.26 -1.01 113.62 111.63 1jr5 n SER 53 Ca -0.17 0.98 0.06 0.00 -1.33 0.00 0.00 58.87 58.41 1jr5 n SER 53 Cb 1.05 -0.48 0.16 0.00 -0.75 0.00 0.00 64.21 64.18 1jr5 n SER 53 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1jr5 h PHE 54 N 0.00 -0.24 -0.92 0.66 3.57 -1.98 0.56 116.94 118.59 1jr5 h PHE 54 Ca 0.00 0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.68 1jr5 h PHE 54 Cb 0.00 0.24 -0.08 0.00 2.79 0.00 0.00 35.95 38.90 1jr5 h PHE 54 CO -0.65 -0.34 0.55 0.00 -2.23 0.00 0.00 178.31 175.64 1jr5 h ARG 55 N 0.04 0.86 0.00 1.11 3.08 -1.45 0.32 114.38 118.33 1jr5 h ARG 55 Ca 0.45 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 60.27 1jr5 h ARG 55 Cb 0.78 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1jr5 h ARG 55 CO -0.82 0.57 -0.86 0.87 -1.07 0.00 0.00 179.97 178.67 1jr5 h LYS 56 N 0.89 0.00 0.94 0.04 1.57 0.15 0.14 116.57 120.29 1jr5 h LYS 56 Ca 0.45 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.18 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 -0.26 0.86 -0.45 0.82 -0.57 0.00 0.00 179.45 179.84 1jr5 h ILE 57 N 0.00 0.04 -0.24 1.86 2.04 0.16 -0.42 117.51 120.95 1jr5 h ILE 57 Ca -0.01 -0.05 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 1jr5 h ILE 57 Cb 1.57 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1jr5 h ILE 57 CO 0.11 0.00 -0.20 0.58 0.00 0.00 0.00 178.15 178.64 1jr5 h VAL 58 N -1.31 1.25 -0.19 1.67 2.07 -0.52 0.21 116.25 119.42 1jr5 h VAL 58 Ca -0.13 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1jr5 h VAL 58 Cb 0.97 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1jr5 h VAL 58 CO 0.21 0.36 0.05 -1.28 0.02 0.00 0.00 177.57 176.93 1jr5 h SER 59 N 0.39 0.24 -0.39 0.57 0.87 -0.52 -1.29 113.55 113.42 1jr5 h SER 59 Ca 0.06 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1jr5 h SER 59 Cb 0.58 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1jr5 h SER 59 CO 0.04 0.25 0.00 -0.62 -0.53 0.00 0.00 176.83 175.97 1jr5 n GLU 60 N -4.43 3.07 -3.15 2.24 1.02 -0.19 -4.93 120.64 114.27 1jr5 n GLU 60 Ca -0.00 -2.49 -0.41 0.00 -0.02 0.00 0.00 57.16 54.24 1jr5 n GLU 60 Cb 0.14 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.75 4.10 0.36 -4.62 1.98 0.68 -4.98 118.68 114.44 1jr5 s LEU 61 Ca 0.36 0.53 0.08 0.00 -2.89 0.00 0.00 54.13 52.20 1jr5 s LEU 61 Cb 0.24 -2.77 -0.03 0.00 0.66 0.00 0.00 46.19 44.28 1jr5 s LEU 61 CO 0.16 -0.39 0.27 0.28 -1.89 0.00 0.00 176.35 174.78 1jr5 s THR 62 N 2.48 3.17 -0.25 3.68 -1.32 -1.26 -4.93 115.64 117.21 1jr5 s THR 62 Ca 0.24 -1.46 0.22 0.00 -1.21 0.00 0.00 61.69 59.48 1jr5 s THR 62 Cb -0.15 -3.09 0.23 0.00 -1.51 0.00 0.00 72.50 67.98 1jr5 s THR 62 CO 0.10 -0.13 1.68 0.00 -2.21 0.00 0.00 174.62 174.06 1jr5 n GLN 63 N -1.35 0.15 0.04 7.08 0.00 -1.26 -1.11 117.38 120.94 1jr5 n GLN 63 Ca -0.01 0.59 -0.18 0.00 0.00 0.00 0.00 57.00 57.40 1jr5 n GLN 63 Cb 0.61 -1.95 -0.09 0.00 0.00 0.00 0.00 30.24 28.81 1jr5 n GLN 63 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1jr5 h GLU 64 N 0.00 0.66 -0.48 2.61 3.07 -1.99 -1.24 114.58 117.21 1jr5 h GLU 64 Ca 0.00 -0.68 0.08 0.00 -0.50 0.00 0.00 59.36 58.26 1jr5 h GLU 64 Cb 0.08 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1jr5 h GLU 64 CO 0.00 1.27 0.32 0.22 -1.40 0.00 0.00 179.01 179.43 1jr5 h ASP 65 N 0.39 0.29 -0.27 1.42 3.58 -1.51 0.29 116.42 120.61 1jr5 h ASP 65 Ca -0.11 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.24 1jr5 h ASP 65 Cb 1.63 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.61 1jr5 h ASP 65 CO 0.19 0.18 -0.22 0.50 -2.88 0.00 0.00 179.24 177.01 1jr5 h LYS 66 N 0.33 0.63 -0.22 0.28 3.64 -1.31 0.24 116.57 120.15 1jr5 h LYS 66 Ca 0.21 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1jr5 h LYS 66 Cb 0.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1jr5 h LYS 66 CO -0.05 0.91 0.10 0.87 -2.27 0.00 0.00 179.45 179.01 1jr5 h LYS 67 N 0.36 0.33 -0.55 1.90 1.79 0.43 0.45 116.57 121.26 1jr5 h LYS 67 Ca 0.05 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 1jr5 h LYS 67 Cb 0.78 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.35 1jr5 h LYS 67 CO 0.06 0.36 0.08 1.15 -1.08 0.00 0.00 179.45 180.01 1jr5 h THR 68 N 0.22 1.26 0.00 -0.16 2.02 -0.53 -0.30 112.91 115.41 1jr5 h THR 68 Ca 0.08 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1jr5 h THR 68 Cb 0.15 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1jr5 h THR 68 CO -0.01 0.36 -0.17 0.17 0.37 0.00 0.00 175.52 176.24 1jr5 h LEU 69 N 0.81 0.00 -0.53 2.58 -0.00 -0.88 -2.88 115.31 114.40 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 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.08 1jr5 h LEU 69 CO 0.01 0.17 -0.65 0.40 -0.00 0.00 0.00 178.44 178.37 1jr5 h ILE 70 N 0.00 1.38 -1.44 0.15 2.04 0.27 0.31 117.51 120.21 1jr5 h ILE 70 Ca -0.00 -2.03 0.47 0.00 1.00 0.00 0.00 64.86 64.30 1jr5 h ILE 70 Cb 1.07 2.02 -0.12 0.00 -0.74 0.00 0.00 36.82 39.04 1jr5 h ILE 70 CO 0.02 0.61 0.95 -0.78 0.00 0.00 0.00 178.15 178.95 1jr5 h ASP 71 N 0.25 0.18 0.00 1.72 1.82 -0.83 0.48 116.42 120.04 1jr5 h ASP 71 Ca -0.01 0.12 -0.24 0.00 -0.39 0.00 0.00 57.03 56.51 1jr5 h ASP 71 Cb 1.19 0.12 -0.04 0.00 0.68 0.00 0.00 39.33 41.27 1jr5 h ASP 71 CO 0.11 -0.18 -1.91 -0.62 -1.61 0.00 0.00 179.24 175.03 1jr5 n GLU 72 N -4.58 1.02 -2.27 0.28 1.02 -1.16 -4.61 120.64 110.34 1jr5 n GLU 72 Ca 0.39 0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 57.19 1jr5 n GLU 72 Cb 1.57 -1.33 0.01 0.00 -0.02 0.00 0.00 31.44 31.67 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 -2.77 2.67 0.00 -0.32 3.01 0.11 -4.92 117.46 115.23 1jr5 n PHE 73 Ca -0.26 -2.53 0.00 0.00 1.01 0.00 0.00 57.45 55.67 1jr5 n PHE 73 Cb 0.85 -1.37 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 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 0.37 0.00 -0.25 4.37 4.13 0.14 -4.12 115.26 119.90 1jr5 n ASN 74 Ca 0.52 0.02 0.06 0.00 1.68 0.00 0.00 54.58 56.87 1jr5 n ASN 74 Cb 0.28 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.64 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 -0.04 2.22 -0.64 3.52 -0.00 -1.26 -4.63 120.64 119.81 1jr5 n GLU 75 Ca 0.00 -2.26 0.07 0.00 -0.00 0.00 0.00 57.16 54.97 1jr5 n GLU 75 Cb 0.00 -1.39 0.33 0.00 -0.00 0.00 0.00 31.44 30.38 1jr5 n GLU 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1jr5 n GLY 76 N -0.81 2.53 0.00 -1.84 0.00 -1.26 -4.18 105.19 99.63 1jr5 n GLY 76 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.78 0.00 0.58 1.61 -1.74 -1.26 -4.83 117.46 112.60 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 0.90 -0.00 0.32 0.00 1.52 0.00 0.00 39.48 42.22 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 0.12 -0.13 3.97 2.13 -1.26 -1.84 120.64 123.62 1jr5 n GLU 78 Ca 0.00 0.20 0.05 0.00 0.66 0.00 0.00 57.16 58.07 1jr5 n GLU 78 Cb 0.35 -1.50 0.07 0.00 0.27 0.00 0.00 31.44 30.63 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 -0.12 2.98 0.75 8.31 0.00 -1.26 -4.50 105.19 111.36 1jr5 n GLY 79 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.84 0.00 0.25 1.61 3.14 -0.99 -3.81 118.33 117.69 1jr5 n VAL 80 Ca 0.08 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.55 1jr5 n VAL 80 Cb 0.55 -0.99 0.62 0.00 -1.06 0.00 0.00 33.84 32.96 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 0.00 1.45 3.20 -1.66 0.10 116.97 120.06 1jr5 h TYR 81 Ca 0.00 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 1jr5 h TYR 81 Cb 0.82 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1jr5 h TYR 81 CO 0.00 0.13 -0.66 0.00 -1.64 0.00 0.00 178.16 175.99 1jr5 h ARG 82 N 0.00 0.00 -0.78 1.82 2.47 -1.79 -3.37 114.38 112.74 1jr5 h ARG 82 Ca -0.00 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.90 1jr5 h ARG 82 Cb 0.26 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 28.45 1jr5 h ARG 82 CO 0.02 0.60 0.06 1.88 0.56 0.00 0.00 179.97 183.09 1jr5 h TYR 83 N -1.00 0.05 -0.02 3.04 -1.99 -1.61 0.94 116.97 116.38 1jr5 h TYR 83 Ca -0.15 0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.64 1jr5 h TYR 83 Cb 0.86 0.10 -0.00 0.00 2.00 0.00 0.00 36.73 39.69 1jr5 h TYR 83 CO 0.03 -0.22 0.11 1.37 -0.00 0.00 0.00 178.16 179.45 1jr5 h LEU 84 N 0.14 0.00 0.00 3.88 -0.00 -0.98 -2.82 115.31 115.53 1jr5 h LEU 84 Ca 0.44 0.00 -0.42 0.00 -0.00 0.00 0.00 57.88 57.89 1jr5 h LEU 84 Cb 0.79 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.39 1jr5 h LEU 84 CO -0.65 0.00 -2.39 1.21 -0.00 0.00 0.00 178.44 176.61 1jr5 n GLU 85 N -3.15 0.61 -0.32 0.17 2.13 0.29 -3.45 120.64 116.92 1jr5 n GLU 85 Ca -0.02 0.27 0.22 0.00 0.66 0.00 0.00 57.16 58.29 1jr5 n GLU 85 Cb 0.18 -1.53 0.44 0.00 0.27 0.00 0.00 31.44 30.79 1jr5 n GLU 85 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1jr5 h MET 86 N -0.75 0.21 0.01 5.31 0.00 -0.32 0.94 114.93 120.33 1jr5 h MET 86 Ca -0.63 -0.01 -0.29 0.00 0.00 0.00 0.00 59.70 58.77 1jr5 h MET 86 Cb 1.66 -0.05 -0.05 0.00 0.00 0.00 0.00 31.60 33.17 1jr5 h MET 86 CO -0.31 0.14 -1.66 1.88 0.00 0.00 0.00 176.91 176.96 1jr5 h TYR 87 N 0.22 0.03 -2.47 -0.22 0.05 -1.76 -3.42 116.97 109.41 1jr5 h TYR 87 Ca 0.70 -0.02 -0.59 0.00 0.05 0.00 0.00 58.73 58.87 1jr5 h TYR 87 Cb 1.60 -0.00 -0.38 0.00 1.01 0.00 0.00 36.73 38.96 1jr5 h TYR 87 CO -0.11 1.04 -0.92 0.95 -1.05 0.00 0.00 178.16 178.07 1jr5 s THR 88 N -2.61 0.43 -0.01 -2.88 -4.23 0.86 -4.75 115.64 102.45 1jr5 s THR 88 Ca -0.05 -2.48 -0.04 0.00 -1.18 0.00 0.00 61.69 57.94 1jr5 s THR 88 Cb 0.08 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 1jr5 s THR 88 CO 0.82 -1.16 0.20 0.54 -0.54 0.00 0.00 174.62 174.49 1jr5 s ASN 89 N 0.26 6.40 0.00 3.99 2.20 0.29 -4.01 114.94 124.07 1jr5 s ASN 89 Ca 0.28 0.40 0.10 0.00 -0.94 0.00 0.00 52.86 52.70 1jr5 s ASN 89 Cb -0.04 -2.02 0.08 0.00 -2.00 0.00 0.00 41.25 37.27 1jr5 s ASN 89 CO -0.14 0.26 0.81 2.29 -2.94 0.00 0.00 177.10 177.39