#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 1.19 -4.90 7.83 4.13 -1.26 -4.65 115.26 117.59 1jr5 n ASN 2 Ca 0.00 0.45 -0.28 0.00 1.68 0.00 0.00 54.58 56.44 1jr5 n ASN 2 Cb 0.00 -0.73 0.02 0.00 -1.54 0.00 0.00 39.78 37.53 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1jr5 s LYS 3 N -1.88 3.19 0.35 3.52 2.20 -1.26 -4.97 119.74 120.89 1jr5 s LYS 3 Ca -0.11 0.20 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1jr5 s LYS 3 Cb 0.02 -2.25 0.65 0.00 -1.51 0.00 0.00 37.83 34.73 1jr5 s LYS 3 CO 0.16 -0.56 1.93 -0.91 -0.36 0.00 0.00 175.35 175.61 1jr5 h ASN 4 N -0.12 0.54 -0.98 1.43 2.35 -1.94 -3.06 115.58 113.79 1jr5 h ASN 4 Ca -0.46 -0.07 0.36 0.00 -0.55 0.00 0.00 56.30 55.58 1jr5 h ASN 4 Cb 1.23 -0.14 -0.12 0.00 0.05 0.00 0.00 38.32 39.35 1jr5 h ASN 4 CO 0.61 0.52 0.60 0.00 -1.65 0.00 0.00 177.43 177.52 1jr5 n ILE 5 N -4.34 -0.23 -0.02 2.81 3.06 -1.26 0.95 119.36 120.32 1jr5 n ILE 5 Ca 0.03 1.44 -0.10 0.00 -2.50 0.00 0.00 62.75 61.62 1jr5 n ILE 5 Cb 0.18 -2.36 -0.08 0.00 0.54 0.00 0.00 39.64 37.92 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 0.21 9.51 5.19 -1.94 0.11 116.42 129.43 1jr5 h ASP 6 Ca 0.67 -0.52 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1jr5 h ASP 6 Cb 2.06 0.02 0.00 0.00 0.18 0.00 0.00 39.33 41.58 1jr5 h ASP 6 CO -0.43 0.65 0.00 0.74 -3.12 0.00 0.00 179.24 177.08 1jr5 h THR 7 N -0.93 0.00 0.00 0.35 2.02 -0.57 -0.65 112.91 113.13 1jr5 h THR 7 Ca -0.01 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1jr5 h THR 7 Cb 0.58 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1jr5 h THR 7 CO 0.01 0.00 -0.14 0.58 0.37 0.00 0.00 175.52 176.34 1jr5 h VAL 8 N 0.00 0.49 -1.05 3.16 2.07 0.58 -0.46 116.25 121.05 1jr5 h VAL 8 Ca 0.00 -1.40 0.29 0.00 0.82 0.00 0.00 66.70 66.41 1jr5 h VAL 8 Cb 0.11 0.96 -0.12 0.00 -1.52 0.00 0.00 31.29 30.72 1jr5 h VAL 8 CO 0.00 0.17 0.64 0.08 0.02 0.00 0.00 177.57 178.48 1jr5 h ARG 9 N -1.00 0.40 0.04 1.57 -0.00 -0.26 0.34 114.38 115.48 1jr5 h ARG 9 Ca -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1jr5 h ARG 9 Cb 0.39 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 1jr5 h ARG 9 CO -0.01 0.27 -0.02 1.05 -0.00 0.00 0.00 179.97 181.25 1jr5 h GLU 10 N 0.42 -0.06 -0.48 0.08 4.11 -1.23 -2.20 114.58 115.22 1jr5 h GLU 10 Ca 0.66 0.00 0.10 0.00 0.07 0.00 0.00 59.36 60.19 1jr5 h GLU 10 Cb 1.55 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.71 1jr5 h GLU 10 CO -0.43 0.59 -0.21 0.82 0.07 0.00 0.00 179.01 179.85 1jr5 h ILE 11 N -0.83 0.37 0.52 -1.06 2.04 0.78 0.37 117.51 119.70 1jr5 h ILE 11 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1jr5 h ILE 11 Cb 0.67 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1jr5 h ILE 11 CO 0.01 0.00 -0.33 0.16 0.00 0.00 0.00 178.15 177.99 1jr5 h ILE 12 N -0.10 0.00 -0.15 -0.67 3.07 -0.52 -1.41 117.51 117.72 1jr5 h ILE 12 Ca 0.23 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.66 1jr5 h ILE 12 Cb 0.45 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 36.95 1jr5 h ILE 12 CO -0.54 0.00 -0.46 0.74 -1.05 0.00 0.00 178.15 176.83 1jr5 h THR 13 N -0.80 0.00 -0.02 0.16 2.02 -0.90 0.14 112.91 113.51 1jr5 h THR 13 Ca -0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.13 1jr5 h THR 13 Cb 0.65 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.01 1jr5 h THR 13 CO 0.06 0.00 -0.47 -0.37 0.37 0.00 0.00 175.52 175.11 1jr5 h VAL 14 N -0.47 0.00 -0.68 3.16 -1.51 -0.30 0.16 116.25 116.61 1jr5 h VAL 14 Ca 0.03 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.70 1jr5 h VAL 14 Cb 0.56 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.70 1jr5 h VAL 14 CO -0.39 0.00 0.54 0.00 -1.23 0.00 0.00 177.57 176.49 1jr5 h ALA 15 N -0.55 2.56 -0.07 5.19 0.00 -1.11 0.90 119.26 126.19 1jr5 h ALA 15 Ca 0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1jr5 h ALA 15 Cb 0.62 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1jr5 h ALA 15 CO -0.32 -0.89 -0.75 0.66 0.00 0.00 0.00 179.25 177.95 1jr5 h SER 16 N 0.00 0.46 -0.83 0.00 4.64 0.12 -1.41 113.55 116.53 1jr5 h SER 16 Ca 0.32 -0.31 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1jr5 h SER 16 Cb 1.41 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 1jr5 h SER 16 CO -0.00 1.05 0.53 0.40 -0.87 0.00 0.00 176.83 177.94 1jr5 h ILE 17 N 0.26 1.13 0.31 0.95 2.04 0.34 0.44 117.51 122.98 1jr5 h ILE 17 Ca -0.03 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1jr5 h ILE 17 Cb 1.33 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1jr5 h ILE 17 CO 0.13 0.19 -0.29 -0.07 0.00 0.00 0.00 178.15 178.11 1jr5 h LEU 18 N 1.03 -0.77 -1.73 1.44 3.38 -0.97 0.17 115.31 117.85 1jr5 h LEU 18 Ca 0.33 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.45 1jr5 h LEU 18 Cb 0.01 0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1jr5 h LEU 18 CO -0.12 -0.42 0.34 -0.29 0.09 0.00 0.00 178.44 178.04 1jr5 h ILE 19 N -0.62 0.90 -0.03 1.22 2.10 -0.39 1.03 117.51 121.72 1jr5 h ILE 19 Ca -0.02 -0.11 -0.15 0.00 1.08 0.00 0.00 64.86 65.67 1jr5 h ILE 19 Cb 0.56 0.57 -0.02 0.00 -1.09 0.00 0.00 36.82 36.84 1jr5 h ILE 19 CO -0.05 0.06 -0.66 0.50 -1.08 0.00 0.00 178.15 176.92 1jr5 h LYS 20 N 0.31 0.11 -0.89 2.19 3.11 0.88 -2.73 116.57 119.57 1jr5 h LYS 20 Ca 0.23 -0.09 -0.14 0.00 -2.81 0.00 0.00 60.65 57.83 1jr5 h LYS 20 Cb 0.49 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 31.65 1jr5 h LYS 20 CO -0.05 0.73 0.18 1.19 -2.81 0.00 0.00 179.45 178.69 1jr5 n PHE 21 N -3.79 1.42 -3.01 1.91 3.72 0.49 -4.83 117.46 113.36 1jr5 n PHE 21 Ca -0.02 -0.82 -0.23 0.00 -0.05 0.00 0.00 57.45 56.33 1jr5 n PHE 21 Cb 0.65 -0.48 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 -0.03 -6.17 -1.39 4.37 7.64 -0.98 -4.89 113.62 112.17 1jr5 n SER 22 Ca 0.24 -0.28 -0.08 0.00 1.01 0.00 0.00 58.87 59.76 1jr5 n SER 22 Cb 0.96 -4.99 0.20 0.00 -1.01 0.00 0.00 64.21 59.38 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 -4.03 2.06 0.31 1.43 5.12 0.33 -4.64 116.66 117.24 1jr5 n ARG 23 Ca -0.12 -3.13 0.17 0.00 -1.93 0.00 0.00 57.85 52.84 1jr5 n ARG 23 Cb 0.62 -1.91 0.87 0.00 -1.16 0.00 0.00 32.46 30.89 1jr5 n ARG 23 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1jr5 h GLU 24 N 1.11 0.00 -0.41 5.56 3.07 -1.80 0.46 114.58 122.58 1jr5 h GLU 24 Ca 0.29 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.09 1jr5 h GLU 24 Cb 1.92 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.81 1jr5 h GLU 24 CO 0.54 0.00 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.69 1jr5 h ASP 25 N 0.00 0.63 0.60 1.42 5.19 -1.94 0.66 116.42 122.99 1jr5 h ASP 25 Ca 0.02 -0.14 -0.28 0.00 -0.62 0.00 0.00 57.03 56.01 1jr5 h ASP 25 Cb 0.60 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.95 1jr5 h ASP 25 CO -0.00 0.71 -1.26 0.40 -3.12 0.00 0.00 179.24 175.98 1jr5 h ILE 26 N 0.62 1.48 0.00 0.35 2.04 -0.47 -3.21 117.51 118.32 1jr5 h ILE 26 Ca 0.13 -3.03 0.00 0.00 1.00 0.00 0.00 64.86 62.95 1jr5 h ILE 26 Cb 0.42 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 1jr5 h ILE 26 CO 0.02 0.89 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 -0.92 -2.17 116.25 116.97 1jr5 h VAL 27 Ca -0.14 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1jr5 h VAL 27 Cb 1.98 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 1jr5 h VAL 27 CO 0.21 0.00 -0.19 -0.62 0.02 0.00 0.00 177.57 176.99 1jr5 n GLU 28 N -2.71 1.11 -4.36 1.57 1.02 0.23 -4.82 120.64 112.68 1jr5 n GLU 28 Ca 0.03 -0.68 -0.20 0.00 -0.02 0.00 0.00 57.16 56.30 1jr5 n GLU 28 Cb 0.40 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.20 1jr5 n GLU 28 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jr5 s ASN 29 N -2.35 1.60 0.08 1.62 2.47 -1.22 -4.62 114.94 112.53 1jr5 s ASN 29 Ca 0.28 -0.43 -0.27 0.00 0.42 0.00 0.00 52.86 52.86 1jr5 s ASN 29 Cb 0.20 -0.11 -0.16 0.00 -1.45 0.00 0.00 41.25 39.73 1jr5 s ASN 29 CO 0.47 0.04 1.69 0.03 -3.72 0.00 0.00 177.10 175.61 1jr5 h ARG 30 N 5.02 -0.35 -0.33 0.43 -0.00 -1.89 0.95 114.38 118.22 1jr5 h ARG 30 Ca -0.37 0.02 0.02 0.00 -0.50 0.00 0.00 59.98 59.15 1jr5 h ARG 30 Cb 1.18 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 31.20 1jr5 h ARG 30 CO 0.44 -0.23 0.17 0.00 0.00 0.00 0.00 179.97 180.36 1jr5 h ALA 31 N 0.38 0.41 -0.44 0.04 0.00 -1.97 0.33 119.26 118.02 1jr5 h ALA 31 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1jr5 h ALA 31 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jr5 h ALA 31 CO 0.06 -0.20 0.03 -0.91 0.00 0.00 0.00 179.25 178.23 1jr5 h ASN 32 N 0.36 0.74 -0.22 0.00 2.35 -1.77 0.27 115.58 117.30 1jr5 h ASN 32 Ca 0.13 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 1jr5 h ASN 32 Cb 0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1jr5 h ASN 32 CO -0.08 0.84 0.12 0.15 -1.65 0.00 0.00 177.43 176.81 1jr5 h PHE 33 N 0.60 0.31 0.00 1.19 3.04 -0.12 0.49 116.94 122.45 1jr5 h PHE 33 Ca 0.13 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 1jr5 h PHE 33 Cb 0.45 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1jr5 h PHE 33 CO 0.03 0.28 -0.00 0.82 -2.02 0.00 0.00 178.31 177.43 1jr5 h ILE 34 N 0.25 1.14 -0.75 1.41 2.04 -0.24 -1.48 117.51 119.88 1jr5 h ILE 34 Ca 0.08 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1jr5 h ILE 34 Cb 0.08 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1jr5 h ILE 34 CO -0.01 0.11 0.47 0.00 0.00 0.00 0.00 178.15 178.72 1jr5 h ALA 35 N 0.82 1.00 -0.21 1.87 0.00 -0.33 0.29 119.26 122.69 1jr5 h ALA 35 Ca -0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1jr5 h ALA 35 Cb 0.18 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 1jr5 h ALA 35 CO 0.00 0.25 -0.21 0.35 0.00 0.00 0.00 179.25 179.64 1jr5 h PHE 36 N 0.90 -0.54 -0.08 0.00 3.57 0.22 0.68 116.94 121.69 1jr5 h PHE 36 Ca 0.31 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 1jr5 h PHE 36 Cb 0.05 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1jr5 h PHE 36 CO -0.04 -0.29 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.65 1jr5 h LEU 37 N -0.22 0.10 0.00 0.59 3.38 -0.63 -1.37 115.31 117.16 1jr5 h LEU 37 Ca 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jr5 h LEU 37 Cb 0.42 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1jr5 h LEU 37 CO -0.34 0.17 -0.27 -3.20 0.09 0.00 0.00 178.44 174.89 1jr5 n ASN 38 N -4.42 0.37 -0.11 -0.43 5.15 0.47 -1.21 115.26 115.08 1jr5 n ASN 38 Ca -0.02 0.19 -0.18 0.00 -0.60 0.00 0.00 54.58 53.98 1jr5 n ASN 38 Cb 0.16 -0.18 -0.09 0.00 -0.53 0.00 0.00 39.78 39.14 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 -1.68 0.52 0.12 1.20 0.28 0.21 -4.55 120.64 116.73 1jr5 n GLU 39 Ca 0.06 0.15 -0.02 0.00 -0.16 0.00 0.00 57.16 57.19 1jr5 n GLU 39 Cb 0.36 -1.39 0.21 0.00 1.43 0.00 0.00 31.44 32.05 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 -0.24 1.35 0.00 3.84 -2.65 -1.47 -3.47 117.51 114.86 1jr5 h ILE 40 Ca -0.50 -1.70 0.00 0.00 1.03 0.00 0.00 64.86 63.69 1jr5 h ILE 40 Cb 1.67 1.84 0.00 0.00 -2.05 0.00 0.00 36.82 38.28 1jr5 h ILE 40 CO -0.15 0.50 0.00 0.61 0.03 0.00 0.00 178.15 179.13 1jr5 n GLY 41 N -0.05 0.97 3.83 0.16 0.00 -1.24 -5.13 105.19 103.74 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 -1.16 5.42 0.24 1.61 1.01 -0.35 -5.07 120.40 122.11 1jr5 s VAL 42 Ca 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1jr5 s VAL 42 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1jr5 s VAL 42 CO 0.00 0.57 0.43 0.42 0.00 0.00 0.00 175.10 176.52 1jr5 s THR 43 N -0.64 0.00 -0.01 3.92 -4.23 -1.26 -3.72 115.64 109.70 1jr5 s THR 43 Ca 0.13 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 1jr5 s THR 43 Cb -0.12 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1jr5 s THR 43 CO 0.02 -0.01 0.80 1.57 -0.54 0.00 0.00 174.62 176.47 1jr5 n HIS 44 N -0.36 0.00 0.00 3.99 -0.00 -1.17 -4.60 115.22 113.08 1jr5 n HIS 44 Ca -0.01 -0.28 0.00 0.00 0.46 0.00 0.00 57.72 57.89 1jr5 n HIS 44 Cb 0.62 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.46 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 -0.32 0.00 -0.97 1.57 0.28 -1.26 -3.71 120.64 116.23 1jr5 n GLU 45 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 1jr5 n GLU 45 Cb 0.44 0.00 0.00 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 0.43 2.75 -1.84 0.00 -1.26 -4.97 105.19 100.30 1jr5 n GLY 46 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1jr5 n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1jr5 s ARG 47 N -0.53 -0.02 0.00 1.61 1.04 -1.26 -5.07 118.95 114.72 1jr5 s ARG 47 Ca 0.00 0.44 0.00 0.00 -1.04 0.00 0.00 55.73 55.13 1jr5 s ARG 47 Cb 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 34.95 32.53 1jr5 s ARG 47 CO 0.00 -0.30 0.00 0.36 -0.04 0.00 0.00 175.30 175.32 1jr5 n LYS 48 N 5.19 1.87 -5.19 3.89 0.00 -1.24 -3.07 118.16 119.61 1jr5 n LYS 48 Ca -0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 57.94 1jr5 n LYS 48 Cb 0.50 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.37 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 2.04 -0.19 -5.58 1.43 -1.26 -4.74 118.68 110.38 1jr5 s LEU 49 Ca 0.00 -0.49 0.15 0.00 -1.03 0.00 0.00 54.13 52.76 1jr5 s LEU 49 Cb 0.00 -1.32 -0.24 0.00 0.03 0.00 0.00 46.19 44.67 1jr5 s LEU 49 CO 0.00 0.22 0.11 -3.20 0.23 0.00 0.00 176.35 173.70 1jr5 n ASN 50 N 3.08 0.35 0.00 2.29 2.85 -1.26 -4.55 115.26 118.02 1jr5 n ASN 50 Ca -0.18 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.33 1jr5 n ASN 50 Cb 0.52 0.70 0.00 0.00 1.24 0.00 0.00 39.78 42.24 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 -2.85 0.00 -0.01 1.20 1.13 -1.26 -4.91 117.38 110.67 1jr5 n GLN 51 Ca -0.33 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.64 1jr5 n GLN 51 Cb 1.13 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 31.34 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 0.03 0.00 1.08 -1.24 -2.00 -3.37 115.58 110.09 1jr5 h ASN 52 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1jr5 h ASN 52 Cb 0.00 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.04 1jr5 h ASN 52 CO 0.00 1.06 0.00 -0.24 -1.29 0.00 0.00 177.43 176.96 1jr5 n SER 53 N -3.10 0.00 -0.29 1.15 2.88 -1.26 -1.13 113.62 111.87 1jr5 n SER 53 Ca -0.17 0.96 0.10 0.00 -1.33 0.00 0.00 58.87 58.44 1jr5 n SER 53 Cb 1.04 -0.46 0.24 0.00 -0.75 0.00 0.00 64.21 64.28 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 0.09 -0.76 0.66 3.57 -1.97 0.33 116.94 118.87 1jr5 h PHE 54 Ca 0.00 0.06 0.11 0.00 3.53 0.00 0.00 57.97 61.67 1jr5 h PHE 54 Cb 0.00 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 1jr5 h PHE 54 CO -0.47 -0.28 0.37 0.00 -2.23 0.00 0.00 178.31 175.70 1jr5 h ARG 55 N 0.12 0.57 0.00 1.11 3.08 -1.52 0.46 114.38 118.20 1jr5 h ARG 55 Ca 0.51 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 60.35 1jr5 h ARG 55 Cb 0.99 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1jr5 h ARG 55 CO -0.73 0.37 -0.85 0.87 -1.07 0.00 0.00 179.97 178.57 1jr5 h LYS 56 N 0.58 0.00 0.76 0.04 1.57 0.10 0.17 116.57 119.80 1jr5 h LYS 56 Ca 0.39 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.13 1jr5 h LYS 56 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1jr5 h LYS 56 CO -0.32 0.85 -0.37 0.82 -0.57 0.00 0.00 179.45 179.87 1jr5 h ILE 57 N 0.00 0.17 -0.06 1.86 2.04 0.11 -1.76 117.51 119.86 1jr5 h ILE 57 Ca -0.01 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 1jr5 h ILE 57 Cb 1.52 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1jr5 h ILE 57 CO 0.11 0.01 -0.32 0.58 0.00 0.00 0.00 178.15 178.54 1jr5 h VAL 58 N -1.14 1.25 -0.10 1.67 2.07 -0.22 0.24 116.25 120.01 1jr5 h VAL 58 Ca -0.10 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1jr5 h VAL 58 Cb 0.80 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1jr5 h VAL 58 CO 0.17 0.35 0.07 -1.28 0.02 0.00 0.00 177.57 176.90 1jr5 h SER 59 N 0.10 0.12 -0.29 0.57 0.87 -0.41 -1.39 113.55 113.13 1jr5 h SER 59 Ca 0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1jr5 h SER 59 Cb 0.61 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1jr5 h SER 59 CO 0.04 0.09 0.00 -0.62 -0.53 0.00 0.00 176.83 175.81 1jr5 n GLU 60 N -4.52 2.38 -3.06 2.24 1.02 -0.68 -4.91 120.64 113.10 1jr5 n GLU 60 Ca -0.01 -1.89 -0.43 0.00 -0.02 0.00 0.00 57.16 54.80 1jr5 n GLU 60 Cb 0.08 -1.27 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 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 -1.00 4.44 0.54 -4.62 1.98 0.76 -4.96 118.68 115.82 1jr5 s LEU 61 Ca 0.22 -0.29 0.06 0.00 -2.89 0.00 0.00 54.13 51.24 1jr5 s LEU 61 Cb 0.12 -2.79 0.04 0.00 0.66 0.00 0.00 46.19 44.22 1jr5 s LEU 61 CO 0.16 -0.83 0.47 0.28 -1.89 0.00 0.00 176.35 174.54 1jr5 s THR 62 N 2.97 1.80 -0.87 3.68 -1.32 -1.26 -4.88 115.64 115.75 1jr5 s THR 62 Ca 0.25 -1.40 0.08 0.00 -1.21 0.00 0.00 61.69 59.40 1jr5 s THR 62 Cb -0.14 -2.19 0.07 0.00 -1.51 0.00 0.00 72.50 68.73 1jr5 s THR 62 CO 0.20 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.85 1jr5 n GLN 63 N -1.84 0.03 -0.09 7.08 10.64 -1.26 -0.94 117.38 131.01 1jr5 n GLN 63 Ca 0.02 0.45 -0.14 0.00 -1.83 0.00 0.00 57.00 55.50 1jr5 n GLN 63 Cb 0.64 -1.58 -0.07 0.00 -0.86 0.00 0.00 30.24 28.37 1jr5 n GLN 63 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1jr5 n GLU 64 N -1.64 0.51 -0.19 2.61 2.13 -1.26 -1.61 120.64 121.20 1jr5 n GLU 64 Ca 0.01 0.55 0.18 0.00 0.66 0.00 0.00 57.16 58.55 1jr5 n GLU 64 Cb 0.06 -1.72 0.53 0.00 0.27 0.00 0.00 31.44 30.58 1jr5 n GLU 64 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1jr5 h ASP 65 N -1.00 0.36 0.68 4.31 1.82 -1.88 0.38 116.42 121.09 1jr5 h ASP 65 Ca -0.19 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.45 1jr5 h ASP 65 Cb 0.92 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.90 1jr5 h ASP 65 CO -0.11 0.17 -0.33 0.50 -1.61 0.00 0.00 179.24 177.86 1jr5 h LYS 66 N 0.38 -0.88 -0.90 0.28 3.64 -1.15 -0.46 116.57 117.48 1jr5 h LYS 66 Ca 0.41 0.06 0.21 0.00 -1.27 0.00 0.00 60.65 60.05 1jr5 h LYS 66 Cb 1.02 0.20 -0.12 0.00 -0.41 0.00 0.00 32.23 32.92 1jr5 h LYS 66 CO -0.13 -0.59 0.43 -0.22 -2.27 0.00 0.00 179.45 176.67 1jr5 h LYS 67 N -1.02 0.46 -0.36 1.90 3.11 -0.00 1.05 116.57 121.70 1jr5 h LYS 67 Ca -0.09 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 1jr5 h LYS 67 Cb 0.70 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.81 1jr5 h LYS 67 CO 0.15 0.30 0.15 1.15 -2.81 0.00 0.00 179.45 178.39 1jr5 h THR 68 N 0.47 1.14 0.00 1.00 2.02 -0.22 0.40 112.91 117.72 1jr5 h THR 68 Ca 0.55 -0.42 -0.17 0.00 0.77 0.00 0.00 66.41 67.15 1jr5 h THR 68 Cb 0.99 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1jr5 h THR 68 CO -0.49 0.16 -0.80 0.25 0.37 0.00 0.00 175.52 175.01 1jr5 h LEU 69 N 0.50 0.00 -0.63 2.58 7.12 0.25 -3.10 115.31 122.02 1jr5 h LEU 69 Ca 0.13 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 58.05 1jr5 h LEU 69 Cb 0.09 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 1jr5 h LEU 69 CO -0.01 0.80 -0.40 0.40 -0.13 0.00 0.00 178.44 179.09 1jr5 h ILE 70 N 0.00 0.84 -1.24 4.05 2.04 0.28 -3.04 117.51 120.44 1jr5 h ILE 70 Ca -0.01 -1.72 0.36 0.00 1.00 0.00 0.00 64.86 64.48 1jr5 h ILE 70 Cb 1.54 2.09 -0.07 0.00 -0.74 0.00 0.00 36.82 39.64 1jr5 h ILE 70 CO 0.10 0.40 0.87 -0.78 0.00 0.00 0.00 178.15 178.74 1jr5 h ASP 71 N 0.00 0.12 0.00 1.72 3.58 -0.25 0.43 116.42 122.02 1jr5 h ASP 71 Ca -0.00 0.03 -0.25 0.00 0.42 0.00 0.00 57.03 57.22 1jr5 h ASP 71 Cb 1.05 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 42.08 1jr5 h ASP 71 CO 0.05 0.00 -1.50 -0.62 -2.88 0.00 0.00 179.24 174.29 1jr5 n GLU 72 N -4.30 0.56 -2.68 0.28 4.71 -1.20 -4.53 120.64 113.48 1jr5 n GLU 72 Ca 0.28 0.47 -0.42 0.00 -0.01 0.00 0.00 57.16 57.48 1jr5 n GLU 72 Cb 1.25 -1.66 0.01 0.00 -1.01 0.00 0.00 31.44 30.04 1jr5 n GLU 72 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1jr5 n PHE 73 N -4.41 2.52 0.00 -0.32 3.72 -0.35 -4.90 117.46 113.73 1jr5 n PHE 73 Ca -0.34 -2.62 0.00 0.00 -0.05 0.00 0.00 57.45 54.44 1jr5 n PHE 73 Cb 0.68 -1.40 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 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 1.32 0.00 -1.68 4.37 3.02 0.14 -3.66 115.26 118.77 1jr5 n ASN 74 Ca 0.38 0.31 0.09 0.00 -0.03 0.00 0.00 54.58 55.33 1jr5 n ASN 74 Cb 0.30 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.43 4.03 -0.37 3.52 -0.00 -1.26 -4.27 120.64 121.87 1jr5 n GLU 75 Ca 0.00 -2.97 0.07 0.00 -0.00 0.00 0.00 57.16 54.26 1jr5 n GLU 75 Cb 0.00 -1.99 0.21 0.00 -0.00 0.00 0.00 31.44 29.65 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 1.04 4.53 0.00 -1.84 0.00 -1.25 -4.55 105.19 103.12 1jr5 n GLY 76 Ca 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.97 0.00 1.33 1.61 -1.74 -1.24 -4.75 117.46 111.70 1jr5 n PHE 77 Ca 0.21 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.20 1jr5 n PHE 77 Cb 0.81 0.00 0.61 0.00 1.52 0.00 0.00 39.48 42.42 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 -0.01 0.66 0.00 3.97 4.07 -1.26 -1.56 120.64 126.51 1jr5 n GLU 78 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1jr5 n GLU 78 Cb 0.11 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 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 0.32 0.26 0.58 8.31 0.00 -1.26 -4.38 105.19 109.03 1jr5 n GLY 79 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.24 0.00 0.09 1.61 3.14 -1.07 -3.92 118.33 117.95 1jr5 n VAL 80 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1jr5 n VAL 80 Cb 0.32 -1.02 0.02 0.00 -1.06 0.00 0.00 33.84 32.10 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 0.18 0.22 1.45 3.20 -1.59 -0.52 116.97 119.91 1jr5 h TYR 81 Ca 0.00 -0.10 -0.30 0.00 3.14 0.00 0.00 58.73 61.47 1jr5 h TYR 81 Cb 0.96 -0.02 0.03 0.00 1.54 0.00 0.00 36.73 39.24 1jr5 h TYR 81 CO 0.00 0.89 -1.34 0.00 -1.64 0.00 0.00 178.16 176.08 1jr5 h ARG 82 N 0.07 0.46 -0.08 1.82 2.47 -1.76 -3.28 114.38 114.07 1jr5 h ARG 82 Ca -0.03 -0.79 -0.06 0.00 -1.26 0.00 0.00 59.98 57.85 1jr5 h ARG 82 Cb 1.44 0.29 -0.01 0.00 -1.65 0.00 0.00 29.97 30.04 1jr5 h ARG 82 CO 0.12 1.38 -0.22 1.88 0.56 0.00 0.00 179.97 183.68 1jr5 h TYR 83 N -0.01 0.15 -0.40 3.04 -1.99 -1.67 0.86 116.97 116.95 1jr5 h TYR 83 Ca -0.24 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.48 1jr5 h TYR 83 Cb 2.02 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 40.69 1jr5 h TYR 83 CO 0.14 0.36 0.27 1.25 -0.00 0.00 0.00 178.16 180.18 1jr5 h LEU 84 N 0.13 0.42 0.02 3.88 7.12 -1.15 -2.67 115.31 123.07 1jr5 h LEU 84 Ca 0.02 -0.01 -0.32 0.00 0.13 0.00 0.00 57.88 57.71 1jr5 h LEU 84 Cb 0.47 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.46 1jr5 h LEU 84 CO 0.03 0.30 -1.75 -0.62 -0.13 0.00 0.00 178.44 176.28 1jr5 n GLU 85 N -4.48 0.61 -0.30 1.25 1.02 -0.61 -3.24 120.64 114.89 1jr5 n GLU 85 Ca 0.03 0.43 0.24 0.00 -0.02 0.00 0.00 57.16 57.84 1jr5 n GLU 85 Cb 0.09 -1.67 0.45 0.00 -0.02 0.00 0.00 31.44 30.29 1jr5 n GLU 85 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1jr5 n MET 86 N -4.15 -0.06 -0.00 3.49 1.56 0.29 0.13 117.12 118.38 1jr5 n MET 86 Ca -0.38 1.30 -0.16 0.00 -0.27 0.00 0.00 57.70 58.20 1jr5 n MET 86 Cb 0.81 -2.25 -0.14 0.00 2.15 0.00 0.00 33.22 33.80 1jr5 n MET 86 CO 0.00 0.00 0.00 1.88 -0.73 0.00 0.00 175.97 177.12 1jr5 h TYR 87 N 0.00 0.29 -2.58 1.12 0.05 -1.68 -3.42 116.97 110.75 1jr5 h TYR 87 Ca 0.70 -0.21 -0.60 0.00 0.05 0.00 0.00 58.73 58.68 1jr5 h TYR 87 Cb 1.75 -0.01 -0.39 0.00 1.01 0.00 0.00 36.73 39.09 1jr5 h TYR 87 CO -0.17 1.44 -0.87 0.95 -1.05 0.00 0.00 178.16 178.47 1jr5 s THR 88 N -2.58 0.82 -0.12 -2.88 -4.23 0.18 -4.82 115.64 102.02 1jr5 s THR 88 Ca -0.14 -2.74 -0.01 0.00 -1.18 0.00 0.00 61.69 57.61 1jr5 s THR 88 Cb 0.07 -1.57 -0.02 0.00 1.34 0.00 0.00 72.50 72.32 1jr5 s THR 88 CO 0.80 -1.12 -0.08 0.54 -0.54 0.00 0.00 174.62 174.22 1jr5 s ASN 89 N 0.02 4.52 0.00 3.99 4.22 0.35 -4.03 114.94 124.00 1jr5 s ASN 89 Ca 0.28 -0.15 0.28 0.00 -2.14 0.00 0.00 52.86 51.13 1jr5 s ASN 89 Cb -0.05 -1.51 1.05 0.00 1.28 0.00 0.00 41.25 42.02 1jr5 s ASN 89 CO -0.14 0.24 1.75 0.29 -2.04 0.00 0.00 177.10 177.19