#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 0.77 -4.32 7.83 4.13 -1.26 -4.87 115.26 117.54 1jr5 n ASN 2 Ca 0.00 -2.34 -0.17 0.00 1.68 0.00 0.00 54.58 53.75 1jr5 n ASN 2 Cb 0.00 -0.29 -0.10 0.00 -1.54 0.00 0.00 39.78 37.85 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 -0.78 1.33 0.20 3.52 2.20 -1.26 -5.05 119.74 119.91 1jr5 s LYS 3 Ca 0.16 -1.68 -0.11 0.00 -0.36 0.00 0.00 55.97 53.98 1jr5 s LYS 3 Cb 0.16 -0.51 0.16 0.00 -1.51 0.00 0.00 37.83 36.13 1jr5 s LYS 3 CO -0.03 -0.14 1.85 -0.91 -0.36 0.00 0.00 175.35 175.76 1jr5 h ASN 4 N 2.47 0.73 -1.31 1.43 2.35 -1.93 -2.58 115.58 116.73 1jr5 h ASN 4 Ca -0.38 -0.01 0.43 0.00 -0.55 0.00 0.00 56.30 55.79 1jr5 h ASN 4 Cb 1.23 -0.17 -0.13 0.00 0.05 0.00 0.00 38.32 39.30 1jr5 h ASN 4 CO 0.64 0.52 0.85 -0.29 -1.65 0.00 0.00 177.43 177.49 1jr5 h ILE 5 N 0.87 0.13 0.16 2.81 2.10 -1.95 0.60 117.51 122.23 1jr5 h ILE 5 Ca 0.26 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 66.16 1jr5 h ILE 5 Cb -0.03 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 35.73 1jr5 h ILE 5 CO -0.08 0.02 -0.08 0.44 -1.08 0.00 0.00 178.15 177.37 1jr5 h ASP 6 N 0.09 -0.18 0.09 2.19 3.32 -1.87 0.32 116.42 120.38 1jr5 h ASP 6 Ca 0.81 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.87 1jr5 h ASP 6 Cb 2.54 0.05 0.00 0.00 0.22 0.00 0.00 39.33 42.14 1jr5 h ASP 6 CO -0.42 -0.06 0.00 0.74 -1.72 0.00 0.00 179.24 177.78 1jr5 h THR 7 N -0.36 0.00 0.00 0.35 2.02 -1.51 -1.11 112.91 112.30 1jr5 h THR 7 Ca -0.02 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.12 1jr5 h THR 7 Cb 0.17 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1jr5 h THR 7 CO 0.04 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.48 1jr5 h VAL 8 N 0.00 0.00 -1.06 3.16 2.07 0.18 -0.16 116.25 120.44 1jr5 h VAL 8 Ca 0.00 -0.83 0.30 0.00 0.82 0.00 0.00 66.70 66.99 1jr5 h VAL 8 Cb 0.05 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.69 1jr5 h VAL 8 CO 0.00 0.00 0.65 0.03 0.02 0.00 0.00 177.57 178.27 1jr5 h ARG 9 N -0.83 0.37 0.22 1.57 3.08 -0.05 0.36 114.38 119.11 1jr5 h ARG 9 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1jr5 h ARG 9 Cb 0.03 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1jr5 h ARG 9 CO 0.00 0.24 -0.11 1.05 -1.07 0.00 0.00 179.97 180.09 1jr5 h GLU 10 N 0.38 -0.29 -0.69 0.04 4.11 -1.32 -2.07 114.58 114.74 1jr5 h GLU 10 Ca 0.68 0.02 0.13 0.00 0.07 0.00 0.00 59.36 60.25 1jr5 h GLU 10 Cb 1.64 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.82 1jr5 h GLU 10 CO -0.44 0.06 -0.29 0.82 0.07 0.00 0.00 179.01 179.23 1jr5 h ILE 11 N -0.94 0.18 0.73 -1.06 2.04 1.00 0.15 117.51 119.60 1jr5 h ILE 11 Ca -0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1jr5 h ILE 11 Cb 0.48 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1jr5 h ILE 11 CO 0.05 0.00 -0.38 0.16 0.00 0.00 0.00 178.15 177.98 1jr5 h ILE 12 N -0.09 0.00 -0.29 -0.67 3.07 -0.47 -1.71 117.51 117.35 1jr5 h ILE 12 Ca 0.29 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.74 1jr5 h ILE 12 Cb 0.56 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 37.05 1jr5 h ILE 12 CO -0.75 0.00 -0.39 0.74 -1.05 0.00 0.00 178.15 176.70 1jr5 h THR 13 N -1.02 0.00 -0.07 0.16 2.02 -0.69 0.28 112.91 113.60 1jr5 h THR 13 Ca -0.10 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.10 1jr5 h THR 13 Cb 0.79 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1jr5 h THR 13 CO 0.14 0.00 -0.28 -0.37 0.37 0.00 0.00 175.52 175.38 1jr5 h VAL 14 N -0.28 0.00 -0.94 3.16 -1.51 -0.76 0.13 116.25 116.05 1jr5 h VAL 14 Ca 0.05 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.80 1jr5 h VAL 14 Cb 0.42 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.54 1jr5 h VAL 14 CO -0.42 0.00 0.69 0.00 -1.23 0.00 0.00 177.57 176.61 1jr5 h ALA 15 N -0.86 2.88 -0.07 5.19 0.00 -1.17 0.97 119.26 126.21 1jr5 h ALA 15 Ca 0.02 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1jr5 h ALA 15 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jr5 h ALA 15 CO -0.22 -1.18 -0.72 0.66 0.00 0.00 0.00 179.25 177.79 1jr5 h SER 16 N 0.00 0.42 -0.65 0.00 4.64 0.76 -1.37 113.55 117.35 1jr5 h SER 16 Ca 0.45 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.55 1jr5 h SER 16 Cb 1.83 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 63.74 1jr5 h SER 16 CO -0.00 1.00 0.35 0.40 -0.87 0.00 0.00 176.83 177.71 1jr5 h ILE 17 N 0.24 0.95 0.34 0.95 2.04 0.35 0.13 117.51 122.51 1jr5 h ILE 17 Ca -0.03 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1jr5 h ILE 17 Cb 1.29 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1jr5 h ILE 17 CO 0.12 0.12 -0.24 -0.07 0.00 0.00 0.00 178.15 178.08 1jr5 h LEU 18 N 0.64 -0.61 -1.96 1.44 3.38 -1.05 0.17 115.31 117.32 1jr5 h LEU 18 Ca 0.29 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.48 1jr5 h LEU 18 Cb 0.20 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1jr5 h LEU 18 CO -0.19 -0.37 0.44 -0.29 0.09 0.00 0.00 178.44 178.11 1jr5 h ILE 19 N -0.57 0.71 0.01 1.22 2.10 -0.42 1.01 117.51 121.57 1jr5 h ILE 19 Ca -0.03 -0.01 -0.21 0.00 1.08 0.00 0.00 64.86 65.68 1jr5 h ILE 19 Cb 0.49 0.67 -0.03 0.00 -1.09 0.00 0.00 36.82 36.85 1jr5 h ILE 19 CO 0.01 0.01 -1.01 0.50 -1.08 0.00 0.00 178.15 176.58 1jr5 h LYS 20 N 0.04 0.01 -0.73 2.19 3.64 0.13 -3.08 116.57 118.77 1jr5 h LYS 20 Ca 0.29 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1jr5 h LYS 20 Cb 1.11 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1jr5 h LYS 20 CO -0.02 1.01 0.00 1.19 -2.27 0.00 0.00 179.45 179.36 1jr5 n PHE 21 N -3.36 0.89 -2.59 1.91 3.72 0.14 -4.85 117.46 113.33 1jr5 n PHE 21 Ca -0.00 -0.32 -0.12 0.00 -0.05 0.00 0.00 57.45 56.95 1jr5 n PHE 21 Cb 0.94 -0.24 0.02 0.00 -0.94 0.00 0.00 39.48 39.25 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 0.33 -4.07 -1.21 4.37 7.64 -0.56 -4.93 113.62 115.19 1jr5 n SER 22 Ca 0.13 -0.13 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1jr5 n SER 22 Cb 0.63 -3.03 0.21 0.00 -1.01 0.00 0.00 64.21 61.01 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 -2.51 2.10 0.27 1.43 3.00 0.30 -4.63 116.66 116.62 1jr5 n ARG 23 Ca -0.08 -3.10 0.18 0.00 -0.01 0.00 0.00 57.85 54.83 1jr5 n ARG 23 Cb 0.58 -1.86 0.85 0.00 0.00 0.00 0.00 32.46 32.03 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 1.16 0.00 -0.37 5.56 5.08 -1.80 0.47 114.58 124.69 1jr5 h GLU 24 Ca 0.22 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 1jr5 h GLU 24 Cb 1.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.96 1jr5 h GLU 24 CO 0.42 0.00 0.02 -0.44 -1.00 0.00 0.00 179.01 178.01 1jr5 h ASP 25 N 0.00 0.53 0.17 1.42 3.32 -1.95 0.64 116.42 120.56 1jr5 h ASP 25 Ca 0.05 -0.10 -0.28 0.00 0.02 0.00 0.00 57.03 56.72 1jr5 h ASP 25 Cb 0.65 -0.14 0.03 0.00 0.22 0.00 0.00 39.33 40.09 1jr5 h ASP 25 CO -0.00 0.59 -1.20 0.40 -1.72 0.00 0.00 179.24 177.31 1jr5 h ILE 26 N 0.55 1.34 0.00 0.35 2.04 -0.45 -3.18 117.51 118.16 1jr5 h ILE 26 Ca 0.12 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.43 1jr5 h ILE 26 Cb 0.32 2.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1jr5 h ILE 26 CO 0.01 0.76 0.00 0.58 0.00 0.00 0.00 178.15 179.49 1jr5 h VAL 27 N 0.06 0.00 -0.11 1.67 2.07 -1.00 -2.70 116.25 116.23 1jr5 h VAL 27 Ca -0.20 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1jr5 h VAL 27 Cb 1.92 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1jr5 h VAL 27 CO 0.23 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.20 1jr5 n GLU 28 N -2.74 1.77 -4.18 1.57 1.02 0.22 -4.71 120.64 113.59 1jr5 n GLU 28 Ca 0.01 -1.14 -0.18 0.00 -0.02 0.00 0.00 57.16 55.83 1jr5 n GLU 28 Cb 0.27 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.13 1jr5 n GLU 28 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1jr5 s ASN 29 N -1.76 1.72 0.00 1.62 2.47 -1.09 -4.82 114.94 113.08 1jr5 s ASN 29 Ca 0.35 -0.65 -0.24 0.00 0.42 0.00 0.00 52.86 52.74 1jr5 s ASN 29 Cb 0.19 -0.05 -0.14 0.00 -1.45 0.00 0.00 41.25 39.80 1jr5 s ASN 29 CO 0.30 -0.09 1.02 0.03 -3.72 0.00 0.00 177.10 174.64 1jr5 h ARG 30 N 4.17 -0.77 -0.78 0.43 -0.00 -1.86 -1.21 114.38 114.36 1jr5 h ARG 30 Ca -0.41 0.05 0.08 0.00 -0.50 0.00 0.00 59.98 59.21 1jr5 h ARG 30 Cb 1.19 0.18 -0.05 0.00 0.00 0.00 0.00 29.97 31.28 1jr5 h ARG 30 CO 0.42 -0.49 0.51 0.00 0.00 0.00 0.00 179.97 180.41 1jr5 h ALA 31 N -1.09 1.73 0.93 0.04 0.00 -1.97 0.80 119.26 119.68 1jr5 h ALA 31 Ca -0.08 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1jr5 h ALA 31 Cb 0.64 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jr5 h ALA 31 CO 0.13 0.13 -0.45 -0.91 0.00 0.00 0.00 179.25 178.16 1jr5 h ASN 32 N 0.76 -1.05 -0.14 0.00 2.35 -1.77 0.35 115.58 116.08 1jr5 h ASN 32 Ca 0.35 0.04 0.04 0.00 -0.55 0.00 0.00 56.30 56.18 1jr5 h ASN 32 Cb 0.37 0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.96 1jr5 h ASN 32 CO -0.13 -0.73 -0.19 0.15 -1.65 0.00 0.00 177.43 174.88 1jr5 h PHE 33 N -1.29 -0.48 0.25 1.19 3.04 -0.82 0.46 116.94 119.30 1jr5 h PHE 33 Ca -0.13 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 1jr5 h PHE 33 Cb 0.95 0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.70 1jr5 h PHE 33 CO 0.01 -0.26 -0.12 0.82 -2.02 0.00 0.00 178.31 176.74 1jr5 h ILE 34 N -0.23 0.76 -0.91 1.41 2.04 -0.86 -1.50 117.51 118.22 1jr5 h ILE 34 Ca 0.10 -0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1jr5 h ILE 34 Cb 0.38 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1jr5 h ILE 34 CO -0.27 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.44 1jr5 h ALA 35 N 0.42 1.28 -0.19 1.87 0.00 -0.01 -0.31 119.26 122.33 1jr5 h ALA 35 Ca -0.03 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1jr5 h ALA 35 Cb 0.26 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1jr5 h ALA 35 CO 0.06 0.26 -0.13 0.35 0.00 0.00 0.00 179.25 179.79 1jr5 h PHE 36 N 0.97 -0.31 -0.38 0.00 3.57 0.32 0.44 116.94 121.56 1jr5 h PHE 36 Ca 0.41 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.94 1jr5 h PHE 36 Cb 0.28 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1jr5 h PHE 36 CO -0.03 -0.19 0.23 -0.07 -2.23 0.00 0.00 178.31 176.03 1jr5 h LEU 37 N -0.12 0.44 -0.18 0.59 3.38 -0.34 -1.04 115.31 118.04 1jr5 h LEU 37 Ca 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jr5 h LEU 37 Cb 0.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jr5 h LEU 37 CO -0.26 0.34 0.00 -1.13 0.09 0.00 0.00 178.44 177.48 1jr5 h ASN 38 N 0.52 0.00 0.02 -0.43 -1.24 0.72 -1.04 115.58 114.12 1jr5 h ASN 38 Ca 0.14 0.00 -0.36 0.00 0.71 0.00 0.00 56.30 56.79 1jr5 h ASN 38 Cb -0.03 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 38.97 1jr5 h ASN 38 CO -0.03 0.00 -2.02 -1.84 -1.29 0.00 0.00 177.43 172.25 1jr5 n GLU 39 N -2.81 0.61 0.15 6.67 0.28 0.13 -4.38 120.64 121.29 1jr5 n GLU 39 Ca 0.04 0.36 0.02 0.00 -0.16 0.00 0.00 57.16 57.42 1jr5 n GLU 39 Cb 0.46 -1.61 0.38 0.00 1.43 0.00 0.00 31.44 32.10 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 -0.71 1.20 0.00 3.84 -2.65 -1.47 -3.47 117.51 114.25 1jr5 h ILE 40 Ca -0.53 -0.95 0.00 0.00 1.03 0.00 0.00 64.86 64.42 1jr5 h ILE 40 Cb 1.61 1.39 0.00 0.00 -2.05 0.00 0.00 36.82 37.77 1jr5 h ILE 40 CO -0.24 0.28 0.00 0.61 0.03 0.00 0.00 178.15 178.84 1jr5 n GLY 41 N -0.73 0.95 3.70 0.16 0.00 -1.21 -5.12 105.19 102.94 1jr5 n GLY 41 Ca -0.01 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 -1.64 5.32 0.23 1.61 1.01 -0.40 -5.04 120.40 121.49 1jr5 s VAL 42 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1jr5 s VAL 42 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1jr5 s VAL 42 CO 0.00 0.42 0.12 0.42 0.00 0.00 0.00 175.10 176.06 1jr5 s THR 43 N 0.55 0.23 -0.02 3.92 -4.23 -1.26 -3.89 115.64 110.93 1jr5 s THR 43 Ca 0.07 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 1jr5 s THR 43 Cb -0.12 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.22 1jr5 s THR 43 CO -0.00 0.00 0.86 1.57 -0.54 0.00 0.00 174.62 176.51 1jr5 n HIS 44 N -0.36 0.00 0.00 3.99 -0.00 -1.03 -4.81 115.22 113.00 1jr5 n HIS 44 Ca 0.01 -0.32 0.00 0.00 0.46 0.00 0.00 57.72 57.87 1jr5 n HIS 44 Cb 0.66 -0.05 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 -0.40 0.00 -0.98 1.57 0.28 -1.26 -4.90 120.64 114.95 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 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 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 0.68 3.05 -1.84 0.00 -1.26 -4.99 105.19 100.83 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 1.09 0.00 0.00 0.00 173.32 174.41 1jr5 s ARG 47 N -0.11 0.21 0.00 1.61 1.70 -1.26 -5.05 118.95 116.04 1jr5 s ARG 47 Ca 0.00 0.37 0.00 0.00 -0.47 0.00 0.00 55.73 55.63 1jr5 s ARG 47 Cb 0.00 0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.39 1jr5 s ARG 47 CO 0.00 -0.09 0.00 0.36 -1.08 0.00 0.00 175.30 174.49 1jr5 n LYS 48 N 3.50 3.10 -4.54 3.89 -0.00 -1.25 -2.47 118.16 120.38 1jr5 n LYS 48 Ca -0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 57.90 1jr5 n LYS 48 Cb 0.56 0.00 -0.16 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 1.72 -0.10 -5.58 1.43 -1.26 -4.64 118.68 110.26 1jr5 s LEU 49 Ca 0.00 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1jr5 s LEU 49 Cb 0.00 -0.73 -0.25 0.00 0.03 0.00 0.00 46.19 45.23 1jr5 s LEU 49 CO 0.00 0.06 0.45 0.59 0.23 0.00 0.00 176.35 177.68 1jr5 n ASN 50 N 3.51 1.77 0.00 2.29 3.02 -1.26 -4.70 115.26 119.88 1jr5 n ASN 50 Ca -0.21 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1jr5 n ASN 50 Cb 0.53 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 -3.36 0.00 0.02 3.52 1.13 -1.26 -4.96 117.38 112.48 1jr5 n GLN 51 Ca -0.28 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.59 1jr5 n GLN 51 Cb 1.05 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 31.26 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 0.38 -0.00 1.08 -0.73 -2.00 -3.32 115.58 110.99 1jr5 h ASN 52 Ca 0.00 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.24 1jr5 h ASN 52 Cb 0.00 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.47 1jr5 h ASN 52 CO 0.00 1.38 -0.00 0.28 -0.37 0.00 0.00 177.43 178.72 1jr5 h SER 53 N -0.46 -0.00 -0.89 1.15 0.02 -1.94 -0.36 113.55 111.07 1jr5 h SER 53 Ca -0.16 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1jr5 h SER 53 Cb 1.57 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.95 1jr5 h SER 53 CO 0.11 -0.00 -0.24 0.15 -1.14 0.00 0.00 176.83 175.71 1jr5 h PHE 54 N -0.00 -0.53 -0.99 3.45 3.04 -1.97 0.69 116.94 120.63 1jr5 h PHE 54 Ca 0.00 0.08 0.10 0.00 3.98 0.00 0.00 57.97 62.13 1jr5 h PHE 54 Cb 0.00 0.37 -0.08 0.00 2.56 0.00 0.00 35.95 38.81 1jr5 h PHE 54 CO -0.77 -0.39 0.63 0.00 -2.02 0.00 0.00 178.31 175.76 1jr5 h ARG 55 N -0.01 1.00 0.00 1.11 3.08 -1.38 0.28 114.38 118.46 1jr5 h ARG 55 Ca 0.42 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.22 1jr5 h ARG 55 Cb 0.64 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1jr5 h ARG 55 CO -0.92 0.66 -0.88 0.87 -1.07 0.00 0.00 179.97 178.64 1jr5 h LYS 56 N 1.03 0.00 0.88 0.04 1.57 0.15 0.15 116.57 120.39 1jr5 h LYS 56 Ca 0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.20 1jr5 h LYS 56 Cb 0.38 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1jr5 h LYS 56 CO -0.22 0.88 -0.42 0.82 -0.57 0.00 0.00 179.45 179.94 1jr5 h ILE 57 N 0.00 0.00 -0.28 1.86 2.04 0.18 0.30 117.51 121.60 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 1.65 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1jr5 h ILE 57 CO 0.11 0.00 -0.17 0.58 0.00 0.00 0.00 178.15 178.67 1jr5 h VAL 58 N -1.23 1.25 -0.10 1.67 2.07 -0.61 0.37 116.25 119.66 1jr5 h VAL 58 Ca -0.12 -1.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 1jr5 h VAL 58 Cb 0.91 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1jr5 h VAL 58 CO 0.20 0.36 -0.23 -1.28 0.02 0.00 0.00 177.57 176.65 1jr5 h SER 59 N 0.46 0.17 -0.51 0.57 0.87 -0.54 -1.88 113.55 112.69 1jr5 h SER 59 Ca 0.08 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1jr5 h SER 59 Cb 0.57 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1jr5 h SER 59 CO 0.04 0.41 0.00 -0.62 -0.53 0.00 0.00 176.83 176.13 1jr5 n GLU 60 N -4.20 3.33 -3.18 2.24 -0.58 0.10 -4.92 120.64 113.43 1jr5 n GLU 60 Ca -0.01 -2.67 -0.40 0.00 -0.42 0.00 0.00 57.16 53.66 1jr5 n GLU 60 Cb 0.33 -1.71 -0.06 0.00 -0.57 0.00 0.00 31.44 29.42 1jr5 n GLU 60 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1jr5 s LEU 61 N -1.78 4.12 0.41 -4.62 1.98 0.12 -4.98 118.68 113.94 1jr5 s LEU 61 Ca 0.42 0.72 0.07 0.00 -2.89 0.00 0.00 54.13 52.46 1jr5 s LEU 61 Cb 0.28 -2.79 -0.04 0.00 0.66 0.00 0.00 46.19 44.29 1jr5 s LEU 61 CO 0.20 -0.26 0.24 0.28 -1.89 0.00 0.00 176.35 174.92 1jr5 s THR 62 N 1.98 2.43 -0.30 3.68 -1.32 -1.26 -4.94 115.64 115.90 1jr5 s THR 62 Ca 0.26 -1.58 0.21 0.00 -1.21 0.00 0.00 61.69 59.36 1jr5 s THR 62 Cb -0.16 -3.00 0.21 0.00 -1.51 0.00 0.00 72.50 68.05 1jr5 s THR 62 CO 0.10 -0.00 1.64 0.00 -2.21 0.00 0.00 174.62 174.14 1jr5 n GLN 63 N -1.33 0.14 0.11 7.08 -0.00 -1.26 -1.59 117.38 120.53 1jr5 n GLN 63 Ca 0.00 0.58 -0.23 0.00 -0.00 0.00 0.00 57.00 57.36 1jr5 n GLN 63 Cb 0.64 -1.92 -0.15 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 0.49 -0.68 2.61 5.08 -1.98 -0.70 114.58 119.41 1jr5 h GLU 64 Ca 0.00 -0.79 0.08 0.00 -1.00 0.00 0.00 59.36 57.65 1jr5 h GLU 64 Cb 0.08 0.29 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1jr5 h GLU 64 CO 0.00 1.37 0.45 0.22 -1.00 0.00 0.00 179.01 180.05 1jr5 h ASP 65 N 0.03 0.56 -0.44 1.42 1.82 -1.69 0.36 116.42 118.49 1jr5 h ASP 65 Ca -0.21 0.01 -0.11 0.00 -0.39 0.00 0.00 57.03 56.33 1jr5 h ASP 65 Cb 1.95 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.84 1jr5 h ASP 65 CO 0.23 0.35 -0.16 0.50 -1.61 0.00 0.00 179.24 178.56 1jr5 h LYS 66 N 0.64 0.89 0.81 0.28 3.64 -1.39 -0.73 116.57 120.70 1jr5 h LYS 66 Ca 0.30 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1jr5 h LYS 66 Cb 0.36 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1jr5 h LYS 66 CO -0.10 1.01 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.48 1jr5 h LYS 67 N 0.72 -1.05 -0.97 1.90 1.63 0.11 0.32 116.57 119.23 1jr5 h LYS 67 Ca 0.10 0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 1jr5 h LYS 67 Cb 0.72 0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 32.54 1jr5 h LYS 67 CO 0.05 -0.70 0.64 1.15 -3.45 0.00 0.00 179.45 177.14 1jr5 h THR 68 N -1.12 1.25 0.00 1.00 2.02 -0.54 0.27 112.91 115.79 1jr5 h THR 68 Ca -0.11 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 1jr5 h THR 68 Cb 0.84 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1jr5 h THR 68 CO 0.18 0.24 -0.27 0.17 0.37 0.00 0.00 175.52 176.22 1jr5 h LEU 69 N 1.31 0.00 -0.51 2.58 -0.00 -1.10 -2.92 115.31 114.67 1jr5 h LEU 69 Ca 0.35 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 58.07 1jr5 h LEU 69 Cb -0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 1jr5 h LEU 69 CO -0.08 0.27 -0.68 0.40 -0.00 0.00 0.00 178.44 178.35 1jr5 h ILE 70 N 0.00 1.40 -1.39 0.15 2.04 0.49 0.47 117.51 120.66 1jr5 h ILE 70 Ca -0.00 -2.12 0.42 0.00 1.00 0.00 0.00 64.86 64.15 1jr5 h ILE 70 Cb 1.15 2.10 -0.09 0.00 -0.74 0.00 0.00 36.82 39.23 1jr5 h ILE 70 CO 0.03 0.63 0.95 -0.78 0.00 0.00 0.00 178.15 178.99 1jr5 h ASP 71 N 0.21 0.16 0.00 1.72 3.58 -0.77 0.34 116.42 121.67 1jr5 h ASP 71 Ca -0.02 0.07 -0.27 0.00 0.42 0.00 0.00 57.03 57.23 1jr5 h ASP 71 Cb 1.23 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 1jr5 h ASP 71 CO 0.11 -0.06 -2.03 -0.62 -2.88 0.00 0.00 179.24 173.76 1jr5 n GLU 72 N -4.40 0.67 -2.26 0.28 4.71 -1.13 -4.61 120.64 113.90 1jr5 n GLU 72 Ca 0.34 0.09 -0.40 0.00 -0.01 0.00 0.00 57.16 57.18 1jr5 n GLU 72 Cb 1.43 -1.36 0.01 0.00 -1.01 0.00 0.00 31.44 30.51 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 -2.94 2.64 0.00 -0.32 3.01 0.16 -4.91 117.46 115.10 1jr5 n PHE 73 Ca -0.31 -2.61 0.00 0.00 1.01 0.00 0.00 57.45 55.54 1jr5 n PHE 73 Cb 0.86 -1.47 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 0.68 0.00 -0.29 4.37 3.02 0.98 -4.10 115.26 119.92 1jr5 n ASN 74 Ca 0.54 0.10 0.06 0.00 -0.03 0.00 0.00 54.58 55.26 1jr5 n ASN 74 Cb 0.27 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.21 2.28 -0.56 3.52 0.28 -1.26 -4.63 120.64 120.07 1jr5 n GLU 75 Ca 0.00 -2.27 0.08 0.00 -0.16 0.00 0.00 57.16 54.81 1jr5 n GLU 75 Cb 0.00 -1.40 0.31 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 -0.75 2.38 0.00 -1.84 0.00 -1.26 -4.19 105.19 99.54 1jr5 n GLY 76 Ca 0.12 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.90 0.00 0.74 1.61 -1.74 -1.26 -4.81 117.46 112.90 1jr5 n PHE 77 Ca 0.22 -0.03 0.08 0.00 -0.56 0.00 0.00 57.45 57.16 1jr5 n PHE 77 Cb 0.81 -0.00 0.40 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 -0.03 0.20 -0.07 3.97 2.13 -1.26 -1.54 120.64 124.04 1jr5 n GLU 78 Ca 0.00 0.15 0.04 0.00 0.66 0.00 0.00 57.16 58.00 1jr5 n GLU 78 Cb 0.33 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.59 1jr5 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jr5 n GLY 79 N 0.13 2.92 0.72 8.31 0.00 -1.26 -4.36 105.19 111.65 1jr5 n GLY 79 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.77 0.00 0.22 1.61 3.14 -1.01 -3.92 118.33 117.60 1jr5 n VAL 80 Ca 0.06 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.53 1jr5 n VAL 80 Cb 0.46 -0.91 0.47 0.00 -1.06 0.00 0.00 33.84 32.80 1jr5 n VAL 80 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 1jr5 h TYR 81 N 0.00 0.00 0.01 1.45 3.20 -1.57 0.37 116.97 120.43 1jr5 h TYR 81 Ca 0.00 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.57 1jr5 h TYR 81 Cb 0.78 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.00 1jr5 h TYR 81 CO 0.00 0.26 -1.77 0.54 -1.64 0.00 0.00 178.16 175.55 1jr5 n ARG 82 N -3.52 0.65 -0.02 1.82 5.12 -1.26 -4.12 116.66 115.33 1jr5 n ARG 82 Ca -0.00 0.28 -0.16 0.00 -1.93 0.00 0.00 57.85 56.04 1jr5 n ARG 82 Cb 0.42 -1.78 -0.09 0.00 -1.16 0.00 0.00 32.46 29.85 1jr5 n ARG 82 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1jr5 h TYR 83 N 0.01 0.70 0.00 -1.55 -1.99 -1.58 -3.05 116.97 109.52 1jr5 h TYR 83 Ca -0.31 -0.33 0.00 0.00 2.00 0.00 0.00 58.73 60.09 1jr5 h TYR 83 Cb 2.02 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.65 1jr5 h TYR 83 CO 0.01 1.12 0.00 1.37 -0.00 0.00 0.00 178.16 180.65 1jr5 h LEU 84 N 0.09 0.00 0.00 3.88 -0.00 -0.46 -2.76 115.31 116.06 1jr5 h LEU 84 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1jr5 h LEU 84 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.86 1jr5 h LEU 84 CO 0.11 0.00 -0.30 -0.33 -0.00 0.00 0.00 178.44 177.92 1jr5 h GLU 85 N 0.00 0.00 -1.20 0.17 5.08 -1.67 -1.53 114.58 115.43 1jr5 h GLU 85 Ca 0.00 0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.70 1jr5 h GLU 85 Cb 0.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 1jr5 h GLU 85 CO 0.00 0.29 0.83 0.52 -1.00 0.00 0.00 179.01 179.65 1jr5 h MET 86 N -1.00 0.12 0.05 2.33 2.86 -1.40 0.99 114.93 118.89 1jr5 h MET 86 Ca -0.04 -0.01 -0.32 0.00 -2.06 0.00 0.00 59.70 57.27 1jr5 h MET 86 Cb 0.47 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 1jr5 h MET 86 CO -0.03 0.08 -1.77 1.88 1.06 0.00 0.00 176.91 178.13 1jr5 h TYR 87 N 0.13 0.21 -1.90 -0.22 0.05 -1.63 -3.43 116.97 110.17 1jr5 h TYR 87 Ca 0.62 -0.15 -0.40 0.00 0.05 0.00 0.00 58.73 58.85 1jr5 h TYR 87 Cb 2.15 -0.01 -0.30 0.00 1.01 0.00 0.00 36.73 39.58 1jr5 h TYR 87 CO -0.00 1.31 -0.74 0.95 -1.05 0.00 0.00 178.16 178.63 1jr5 s THR 88 N -2.59 -0.25 -0.06 -2.88 -4.23 0.16 -4.38 115.64 101.41 1jr5 s THR 88 Ca -0.11 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1jr5 s THR 88 Cb 0.07 -0.72 -0.02 0.00 1.34 0.00 0.00 72.50 73.18 1jr5 s THR 88 CO 0.81 -0.67 -0.19 0.54 -0.54 0.00 0.00 174.62 174.57 1jr5 s ASN 89 N 0.91 3.63 0.00 3.99 4.22 0.29 -3.99 114.94 124.00 1jr5 s ASN 89 Ca 0.24 -0.33 0.20 0.00 -2.14 0.00 0.00 52.86 50.82 1jr5 s ASN 89 Cb -0.07 -0.85 0.16 0.00 1.28 0.00 0.00 41.25 41.76 1jr5 s ASN 89 CO -0.08 0.29 1.12 2.29 -2.04 0.00 0.00 177.10 178.69