#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 4.40 -4.02 7.83 3.02 -1.26 -4.82 115.26 120.41 1jr5 n ASN 2 Ca 0.00 -3.36 -0.24 0.00 -0.03 0.00 0.00 54.58 50.96 1jr5 n ASN 2 Cb 0.00 -0.76 -0.08 0.00 -0.61 0.00 0.00 39.78 38.32 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1jr5 s LYS 3 N -3.09 1.84 0.08 3.52 3.01 -1.26 -5.05 119.74 118.79 1jr5 s LYS 3 Ca 0.55 -2.11 -0.15 0.00 -1.01 0.00 0.00 55.97 53.26 1jr5 s LYS 3 Cb 0.45 -0.42 -0.16 0.00 -1.01 0.00 0.00 37.83 36.69 1jr5 s LYS 3 CO 0.12 -0.48 1.29 -0.91 0.51 0.00 0.00 175.35 175.88 1jr5 h ASN 4 N 1.91 0.83 -1.37 2.83 4.21 -1.94 -3.23 115.58 118.82 1jr5 h ASN 4 Ca -0.34 -0.62 0.43 0.00 1.21 0.00 0.00 56.30 56.99 1jr5 h ASN 4 Cb 1.26 -0.24 -0.11 0.00 -1.12 0.00 0.00 38.32 38.11 1jr5 h ASN 4 CO 0.54 1.31 0.91 -0.29 -1.29 0.00 0.00 177.43 178.60 1jr5 h ILE 5 N 0.40 0.17 0.19 2.81 2.10 -1.96 0.75 117.51 121.96 1jr5 h ILE 5 Ca -0.03 -0.03 -0.01 0.00 1.08 0.00 0.00 64.86 65.86 1jr5 h ILE 5 Cb 1.26 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 1jr5 h ILE 5 CO 0.13 0.02 -0.09 -2.24 -1.08 0.00 0.00 178.15 174.89 1jr5 h ASP 6 N 0.10 -0.22 0.31 2.19 3.04 -1.90 0.94 116.42 120.88 1jr5 h ASP 6 Ca 0.80 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.59 1jr5 h ASP 6 Cb 2.61 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 40.96 1jr5 h ASP 6 CO -0.32 0.25 0.00 0.74 -2.04 0.00 0.00 179.24 177.87 1jr5 h THR 7 N -1.07 0.00 0.00 1.15 2.02 -1.49 -0.91 112.91 112.62 1jr5 h THR 7 Ca -0.03 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1jr5 h THR 7 Cb 0.20 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1jr5 h THR 7 CO 0.04 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 176.46 1jr5 h VAL 8 N 0.00 0.00 -1.07 3.16 2.07 0.45 -0.58 116.25 120.28 1jr5 h VAL 8 Ca 0.00 -0.82 0.31 0.00 0.82 0.00 0.00 66.70 67.01 1jr5 h VAL 8 Cb 0.16 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.80 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 -0.82 0.34 0.21 1.57 3.08 -0.57 0.31 114.38 118.50 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 0.05 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1jr5 h ARG 9 CO 0.00 0.23 -0.10 1.05 -1.07 0.00 0.00 179.97 180.08 1jr5 h GLU 10 N 0.35 -0.27 -0.71 0.04 4.11 -1.28 -1.96 114.58 114.86 1jr5 h GLU 10 Ca 0.69 0.02 0.14 0.00 0.07 0.00 0.00 59.36 60.28 1jr5 h GLU 10 Cb 1.69 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.87 1jr5 h GLU 10 CO -0.46 0.08 -0.21 0.82 0.07 0.00 0.00 179.01 179.32 1jr5 h ILE 11 N -0.94 0.25 0.77 -1.06 2.04 0.75 0.33 117.51 119.65 1jr5 h ILE 11 Ca -0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1jr5 h ILE 11 Cb 0.48 0.25 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1jr5 h ILE 11 CO 0.05 0.00 -0.37 0.16 0.00 0.00 0.00 178.15 177.99 1jr5 h ILE 12 N -0.03 0.00 -0.28 -0.67 3.07 -0.58 -1.69 117.51 117.33 1jr5 h ILE 12 Ca 0.33 -0.02 0.04 0.00 1.55 0.00 0.00 64.86 66.76 1jr5 h ILE 12 Cb 0.54 0.00 -0.07 0.00 -0.27 0.00 0.00 36.82 37.02 1jr5 h ILE 12 CO -0.74 0.00 -0.47 0.74 -1.05 0.00 0.00 178.15 176.62 1jr5 h THR 13 N -1.05 0.00 -0.05 0.16 2.02 -0.57 0.66 112.91 114.07 1jr5 h THR 13 Ca -0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.09 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 0.17 0.00 -0.29 -0.37 0.37 0.00 0.00 175.52 175.40 1jr5 h VAL 14 N -0.38 0.00 -0.84 3.16 -1.51 -0.42 0.20 116.25 116.46 1jr5 h VAL 14 Ca 0.05 0.00 0.24 0.00 -1.23 0.00 0.00 66.70 65.76 1jr5 h VAL 14 Cb 0.53 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.65 1jr5 h VAL 14 CO -0.47 0.00 0.66 0.00 -1.23 0.00 0.00 177.57 176.53 1jr5 h ALA 15 N -0.85 2.73 -0.08 5.19 0.00 -1.15 1.01 119.26 126.11 1jr5 h ALA 15 Ca 0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1jr5 h ALA 15 Cb 0.37 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jr5 h ALA 15 CO -0.22 -1.09 -0.73 0.66 0.00 0.00 0.00 179.25 177.87 1jr5 h SER 16 N 0.00 0.49 -0.68 0.00 4.64 0.12 -1.26 113.55 116.85 1jr5 h SER 16 Ca 0.40 -0.32 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1jr5 h SER 16 Cb 1.71 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 63.60 1jr5 h SER 16 CO -0.00 1.06 0.37 0.40 -0.87 0.00 0.00 176.83 177.78 1jr5 h ILE 17 N 0.28 0.95 0.26 0.95 2.04 0.39 0.43 117.51 122.82 1jr5 h ILE 17 Ca -0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1jr5 h ILE 17 Cb 1.30 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1jr5 h ILE 17 CO 0.13 0.12 -0.20 -0.07 0.00 0.00 0.00 178.15 178.13 1jr5 h LEU 18 N 0.68 -0.51 -1.89 1.44 3.38 -1.04 0.31 115.31 117.67 1jr5 h LEU 18 Ca 0.31 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.44 1jr5 h LEU 18 Cb 0.21 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1jr5 h LEU 18 CO -0.19 -0.31 0.34 0.40 0.09 0.00 0.00 178.44 178.77 1jr5 h ILE 19 N -0.47 0.81 -0.01 1.22 2.04 -0.22 1.06 117.51 121.95 1jr5 h ILE 19 Ca -0.02 -0.04 -0.19 0.00 1.00 0.00 0.00 64.86 65.61 1jr5 h ILE 19 Cb 0.41 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1jr5 h ILE 19 CO -0.01 0.02 -0.84 0.50 0.00 0.00 0.00 178.15 177.83 1jr5 h LYS 20 N 0.12 0.22 -0.63 2.37 3.11 1.00 -2.80 116.57 119.96 1jr5 h LYS 20 Ca 0.23 -0.23 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1jr5 h LYS 20 Cb 0.75 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.04 1jr5 h LYS 20 CO -0.03 0.94 0.00 1.19 -2.81 0.00 0.00 179.45 178.74 1jr5 n PHE 21 N -3.70 0.81 -3.09 1.91 3.72 0.12 -4.87 117.46 112.36 1jr5 n PHE 21 Ca -0.04 -0.31 -0.13 0.00 -0.05 0.00 0.00 57.45 56.92 1jr5 n PHE 21 Cb 0.78 -0.19 0.05 0.00 -0.94 0.00 0.00 39.48 39.18 1jr5 n PHE 21 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1jr5 n SER 22 N 0.39 -4.09 -0.89 4.37 2.88 -0.14 -4.95 113.62 111.19 1jr5 n SER 22 Ca 0.13 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1jr5 n SER 22 Cb 0.56 -3.17 0.20 0.00 -0.75 0.00 0.00 64.21 61.04 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jr5 n ARG 23 N -3.09 1.75 0.31 -1.46 3.00 0.32 -4.71 116.66 112.79 1jr5 n ARG 23 Ca -0.03 -3.29 0.17 0.00 -0.01 0.00 0.00 57.85 54.70 1jr5 n ARG 23 Cb 0.55 -1.73 0.90 0.00 0.00 0.00 0.00 32.46 32.18 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 1.04 0.00 -0.32 5.56 5.08 -1.82 0.46 114.58 124.57 1jr5 h GLU 24 Ca 0.11 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1jr5 h GLU 24 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1jr5 h GLU 24 CO 0.20 0.00 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.68 1jr5 h ASP 25 N 0.00 0.51 0.43 1.42 5.19 -1.95 0.65 116.42 122.66 1jr5 h ASP 25 Ca 0.02 -0.12 -0.30 0.00 -0.62 0.00 0.00 57.03 56.01 1jr5 h ASP 25 Cb 0.55 -0.13 0.02 0.00 0.18 0.00 0.00 39.33 39.95 1jr5 h ASP 25 CO -0.00 0.63 -1.34 0.40 -3.12 0.00 0.00 179.24 175.81 1jr5 h ILE 26 N 0.49 1.39 0.00 0.35 2.04 -0.47 -3.23 117.51 118.08 1jr5 h ILE 26 Ca 0.10 -2.85 0.00 0.00 1.00 0.00 0.00 64.86 63.10 1jr5 h ILE 26 Cb 0.45 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.49 1jr5 h ILE 26 CO 0.02 0.84 0.00 0.58 0.00 0.00 0.00 178.15 179.60 1jr5 h VAL 27 N 0.12 0.00 -0.01 1.67 2.07 -0.95 -2.68 116.25 116.48 1jr5 h VAL 27 Ca -0.19 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1jr5 h VAL 27 Cb 2.05 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1jr5 h VAL 27 CO 0.24 0.00 -0.19 -0.62 0.02 0.00 0.00 177.57 177.02 1jr5 n GLU 28 N -3.06 0.81 -4.56 1.57 1.02 0.22 -4.77 120.64 111.87 1jr5 n GLU 28 Ca 0.02 -0.41 -0.21 0.00 -0.02 0.00 0.00 57.16 56.54 1jr5 n GLU 28 Cb 0.38 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.47 1.47 0.17 1.62 3.84 -1.18 -4.76 114.94 113.63 1jr5 s ASN 29 Ca 0.27 -0.23 -0.13 0.00 0.21 0.00 0.00 52.86 52.98 1jr5 s ASN 29 Cb 0.20 -0.20 0.07 0.00 -0.55 0.00 0.00 41.25 40.77 1jr5 s ASN 29 CO 0.49 0.14 1.79 0.08 -2.79 0.00 0.00 177.10 176.82 1jr5 h ARG 30 N 5.91 0.77 0.18 0.43 0.11 -1.85 -0.91 114.38 119.02 1jr5 h ARG 30 Ca -0.33 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.67 1jr5 h ARG 30 Cb 1.17 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.08 1jr5 h ARG 30 CO 0.49 0.58 -0.16 0.00 0.10 0.00 0.00 179.97 180.97 1jr5 h ALA 31 N 1.15 -0.34 -0.54 0.08 0.00 -1.96 0.42 119.26 118.06 1jr5 h ALA 31 Ca 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1jr5 h ALA 31 Cb 0.02 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1jr5 h ALA 31 CO -0.03 -0.71 0.31 -0.91 0.00 0.00 0.00 179.25 177.90 1jr5 h ASN 32 N -0.37 0.67 -0.31 0.00 2.35 -1.76 0.24 115.58 116.39 1jr5 h ASN 32 Ca -0.00 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1jr5 h ASN 32 Cb 0.34 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1jr5 h ASN 32 CO -0.03 0.56 0.19 0.15 -1.65 0.00 0.00 177.43 176.65 1jr5 h PHE 33 N 0.73 0.36 -0.05 1.19 3.04 -0.81 0.48 116.94 121.88 1jr5 h PHE 33 Ca 0.19 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1jr5 h PHE 33 Cb 0.03 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.42 1jr5 h PHE 33 CO -0.02 0.22 0.01 0.82 -2.02 0.00 0.00 178.31 177.32 1jr5 h ILE 34 N 0.39 1.20 -1.00 1.41 2.04 0.13 -1.53 117.51 120.16 1jr5 h ILE 34 Ca 0.12 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.39 1jr5 h ILE 34 Cb -0.02 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1jr5 h ILE 34 CO -0.05 0.17 0.66 0.00 0.00 0.00 0.00 178.15 178.93 1jr5 h ALA 35 N 0.77 1.30 -0.02 1.87 0.00 -0.35 0.05 119.26 122.88 1jr5 h ALA 35 Ca 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jr5 h ALA 35 Cb 0.26 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1jr5 h ALA 35 CO 0.00 0.59 -0.21 0.35 0.00 0.00 0.00 179.25 179.99 1jr5 h PHE 36 N 1.30 -0.55 -0.16 0.00 3.57 0.20 0.48 116.94 121.78 1jr5 h PHE 36 Ca 0.38 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1jr5 h PHE 36 Cb -0.07 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1jr5 h PHE 36 CO -0.00 -0.29 0.05 -0.07 -2.23 0.00 0.00 178.31 175.77 1jr5 h LEU 37 N -0.32 0.20 0.00 0.59 3.38 -0.69 -1.16 115.31 117.30 1jr5 h LEU 37 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jr5 h LEU 37 Cb 0.41 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jr5 h LEU 37 CO -0.21 0.20 -0.04 -1.13 0.09 0.00 0.00 178.44 177.35 1jr5 h ASN 38 N 0.23 0.00 0.00 -0.43 -1.24 0.82 -0.87 115.58 114.08 1jr5 h ASN 38 Ca 0.06 -0.01 -0.43 0.00 0.71 0.00 0.00 56.30 56.63 1jr5 h ASN 38 Cb 0.07 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.05 1jr5 h ASN 38 CO -0.00 0.00 -2.43 -1.84 -1.29 0.00 0.00 177.43 171.86 1jr5 n GLU 39 N -2.58 0.60 0.14 6.67 0.28 0.15 -4.49 120.64 121.42 1jr5 n GLU 39 Ca 0.05 0.26 0.03 0.00 -0.16 0.00 0.00 57.16 57.34 1jr5 n GLU 39 Cb 0.47 -1.52 0.39 0.00 1.43 0.00 0.00 31.44 32.21 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 -0.78 1.19 0.00 3.84 -2.65 -1.47 -3.47 117.51 114.17 1jr5 h ILE 40 Ca -0.65 -0.85 0.00 0.00 1.03 0.00 0.00 64.86 64.39 1jr5 h ILE 40 Cb 1.66 1.30 0.00 0.00 -2.05 0.00 0.00 36.82 37.73 1jr5 h ILE 40 CO -0.34 0.26 0.00 0.61 0.03 0.00 0.00 178.15 178.71 1jr5 n GLY 41 N -0.82 0.97 3.74 0.16 0.00 -1.23 -5.13 105.19 102.88 1jr5 n GLY 41 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.49 4.45 0.30 1.61 1.01 -0.33 -5.07 120.40 120.88 1jr5 s VAL 42 Ca 0.00 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1jr5 s VAL 42 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1jr5 s VAL 42 CO 0.00 0.33 0.48 0.42 0.00 0.00 0.00 175.10 176.33 1jr5 s THR 43 N -1.17 0.00 -0.02 3.92 -4.23 -1.26 -3.70 115.64 109.17 1jr5 s THR 43 Ca 0.22 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1jr5 s THR 43 Cb -0.12 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1jr5 s THR 43 CO 0.13 0.00 0.83 1.57 -0.54 0.00 0.00 174.62 176.62 1jr5 n HIS 44 N -0.46 0.00 0.00 3.99 -0.00 -1.04 -4.64 115.22 113.07 1jr5 n HIS 44 Ca -0.01 -0.31 0.00 0.00 0.46 0.00 0.00 57.72 57.86 1jr5 n HIS 44 Cb 0.62 -0.04 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 -0.37 0.00 -0.97 1.57 0.28 -1.26 -4.90 120.64 114.99 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 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 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 0.79 2.93 -1.84 0.00 -1.26 -4.98 105.19 100.82 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 -0.12 0.09 0.00 1.61 1.04 -1.26 -5.03 118.95 115.28 1jr5 s ARG 47 Ca 0.00 0.26 0.00 0.00 -1.04 0.00 0.00 55.73 54.95 1jr5 s ARG 47 Cb 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 34.95 32.81 1jr5 s ARG 47 CO 0.00 -0.11 0.00 0.36 -0.04 0.00 0.00 175.30 175.51 1jr5 n LYS 48 N 3.75 3.20 -4.30 3.89 -0.00 -1.24 -2.50 118.16 120.95 1jr5 n LYS 48 Ca -0.21 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 57.92 1jr5 n LYS 48 Cb 0.54 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.43 1jr5 n LYS 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1jr5 s LEU 49 N 0.00 2.00 -0.12 -5.58 1.43 -1.26 -4.62 118.68 110.53 1jr5 s LEU 49 Ca 0.00 -0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.86 1jr5 s LEU 49 Cb 0.00 -0.41 -0.26 0.00 0.03 0.00 0.00 46.19 45.55 1jr5 s LEU 49 CO 0.00 0.09 0.40 0.78 0.23 0.00 0.00 176.35 177.86 1jr5 h ASN 50 N 5.98 0.40 0.00 2.29 4.21 -1.96 -3.44 115.58 123.05 1jr5 h ASN 50 Ca -0.30 -0.90 0.00 0.00 1.21 0.00 0.00 56.30 56.31 1jr5 h ASN 50 Cb 1.18 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 1jr5 h ASN 50 CO 0.50 1.80 0.00 0.00 -1.29 0.00 0.00 177.43 178.43 1jr5 n GLN 51 N -3.64 0.00 -0.08 0.81 1.13 -1.26 -4.93 117.38 109.41 1jr5 n GLN 51 Ca -0.31 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.57 1jr5 n GLN 51 Cb 1.00 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 31.23 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 -0.16 1.08 -1.24 -2.01 -3.39 115.58 109.89 1jr5 h ASN 52 Ca 0.00 -0.73 0.01 0.00 0.71 0.00 0.00 56.30 56.30 1jr5 h ASN 52 Cb 0.00 -0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 1jr5 h ASN 52 CO 0.00 1.31 -0.09 -1.20 -1.29 0.00 0.00 177.43 176.16 1jr5 n SER 53 N -4.46 -0.17 -0.33 1.15 7.64 -1.26 -1.99 113.62 114.20 1jr5 n SER 53 Ca -0.23 1.02 -0.09 0.00 1.01 0.00 0.00 58.87 60.59 1jr5 n SER 53 Cb 0.62 -0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 63.33 1jr5 n SER 53 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1jr5 n PHE 54 N -3.29 -0.35 -0.26 1.43 -0.00 -1.26 0.40 117.46 114.13 1jr5 n PHE 54 Ca 0.00 0.99 0.20 0.00 -0.00 0.00 0.00 57.45 58.65 1jr5 n PHE 54 Cb 0.04 -0.56 0.52 0.00 -0.00 0.00 0.00 39.48 39.48 1jr5 n PHE 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jr5 h ARG 55 N 0.00 0.38 0.00 -4.13 3.08 -1.63 0.47 114.38 112.56 1jr5 h ARG 55 Ca 0.13 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 1jr5 h ARG 55 Cb 0.32 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1jr5 h ARG 55 CO -0.74 0.25 -0.79 0.87 -1.07 0.00 0.00 179.97 178.49 1jr5 h LYS 56 N 0.39 0.00 0.29 0.04 1.57 0.54 0.27 116.57 119.67 1jr5 h LYS 56 Ca 0.50 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.27 1jr5 h LYS 56 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1jr5 h LYS 56 CO -0.20 0.79 -0.17 0.97 -0.57 0.00 0.00 179.45 180.27 1jr5 h ILE 57 N 0.00 0.65 -0.22 1.86 2.10 0.47 0.90 117.51 123.27 1jr5 h ILE 57 Ca -0.01 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.80 1jr5 h ILE 57 Cb 1.61 0.65 -0.00 0.00 -1.09 0.00 0.00 36.82 37.99 1jr5 h ILE 57 CO 0.10 0.00 -0.37 -0.37 -1.08 0.00 0.00 178.15 176.43 1jr5 h VAL 58 N -0.43 1.32 -0.02 2.19 -1.51 -1.27 0.72 116.25 117.25 1jr5 h VAL 58 Ca -0.03 -1.59 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 1jr5 h VAL 58 Cb 0.35 1.80 -0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1jr5 h VAL 58 CO 0.04 0.50 0.01 -1.28 -1.23 0.00 0.00 177.57 175.61 1jr5 h SER 59 N 0.33 0.00 -0.51 4.19 0.87 -0.73 0.18 113.55 117.88 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 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1jr5 h SER 59 CO 0.08 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.76 1jr5 n GLU 60 N -4.09 3.14 -3.30 2.24 1.02 0.31 -4.94 120.64 115.02 1jr5 n GLU 60 Ca -0.03 -2.56 -0.38 0.00 -0.02 0.00 0.00 57.16 54.18 1jr5 n GLU 60 Cb 0.10 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.85 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 -1.53 4.36 0.34 -4.62 1.98 0.61 -4.99 118.68 114.83 1jr5 s LEU 61 Ca 0.40 0.97 0.08 0.00 -2.89 0.00 0.00 54.13 52.69 1jr5 s LEU 61 Cb 0.25 -2.77 -0.04 0.00 0.66 0.00 0.00 46.19 44.29 1jr5 s LEU 61 CO 0.21 0.09 0.13 0.28 -1.89 0.00 0.00 176.35 175.16 1jr5 s THR 62 N 0.06 3.02 -0.51 3.68 -1.32 -1.26 -4.96 115.64 114.34 1jr5 s THR 62 Ca 0.28 -1.72 0.18 0.00 -1.21 0.00 0.00 61.69 59.21 1jr5 s THR 62 Cb -0.17 -2.96 0.18 0.00 -1.51 0.00 0.00 72.50 68.04 1jr5 s THR 62 CO 0.13 -0.19 1.55 0.00 -2.21 0.00 0.00 174.62 173.90 1jr5 n GLN 63 N -1.12 0.12 0.11 7.08 0.00 -1.26 -1.59 117.38 120.72 1jr5 n GLN 63 Ca -0.03 0.50 -0.22 0.00 0.00 0.00 0.00 57.00 57.24 1jr5 n GLN 63 Cb 0.61 -1.80 -0.15 0.00 0.00 0.00 0.00 30.24 28.90 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 0.43 -0.73 2.61 5.08 -1.98 -0.98 114.58 119.02 1jr5 h GLU 64 Ca 0.00 -0.74 0.03 0.00 -1.00 0.00 0.00 59.36 57.65 1jr5 h GLU 64 Cb 0.15 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 1jr5 h GLU 64 CO 0.00 1.34 0.48 0.22 -1.00 0.00 0.00 179.01 180.05 1jr5 h ASP 65 N 0.12 0.77 -0.38 1.42 3.58 -1.69 0.30 116.42 120.54 1jr5 h ASP 65 Ca -0.26 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.09 1jr5 h ASP 65 Cb 2.11 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.97 1jr5 h ASP 65 CO 0.23 0.54 -0.08 0.50 -2.88 0.00 0.00 179.24 177.54 1jr5 h LYS 66 N 0.90 0.73 0.81 0.28 3.64 -1.42 -0.63 116.57 120.88 1jr5 h LYS 66 Ca 0.29 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 1jr5 h LYS 66 Cb 0.03 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1jr5 h LYS 66 CO -0.08 0.87 -0.41 -0.22 -2.27 0.00 0.00 179.45 177.35 1jr5 h LYS 67 N 0.54 -1.07 -0.96 1.90 1.63 0.45 0.29 116.57 119.35 1jr5 h LYS 67 Ca 0.10 0.07 0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1jr5 h LYS 67 Cb 0.59 0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 32.41 1jr5 h LYS 67 CO 0.04 -0.71 0.63 1.15 -3.45 0.00 0.00 179.45 177.10 1jr5 h THR 68 N -1.11 1.21 0.00 1.00 2.02 -0.52 0.02 112.91 115.53 1jr5 h THR 68 Ca -0.11 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.60 1jr5 h THR 68 Cb 0.86 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1jr5 h THR 68 CO 0.17 0.23 -0.17 0.17 0.37 0.00 0.00 175.52 176.29 1jr5 h LEU 69 N 1.25 0.00 -0.49 2.58 -0.00 -1.06 -2.88 115.31 114.71 1jr5 h LEU 69 Ca 0.37 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 58.08 1jr5 h LEU 69 Cb -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.58 1jr5 h LEU 69 CO -0.10 0.17 -0.68 0.40 -0.00 0.00 0.00 178.44 178.23 1jr5 h ILE 70 N 0.00 1.39 -1.31 0.15 2.04 0.60 0.49 117.51 120.88 1jr5 h ILE 70 Ca -0.00 -2.11 0.40 0.00 1.00 0.00 0.00 64.86 64.16 1jr5 h ILE 70 Cb 1.07 2.08 -0.11 0.00 -0.74 0.00 0.00 36.82 39.13 1jr5 h ILE 70 CO 0.02 0.63 0.86 -0.78 0.00 0.00 0.00 178.15 178.88 1jr5 h ASP 71 N 0.23 0.24 0.00 1.72 3.58 -0.80 0.88 116.42 122.28 1jr5 h ASP 71 Ca -0.02 0.10 -0.31 0.00 0.42 0.00 0.00 57.03 57.22 1jr5 h ASP 71 Cb 1.24 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 42.31 1jr5 h ASP 71 CO 0.11 -0.10 -2.17 -0.62 -2.88 0.00 0.00 179.24 173.58 1jr5 n GLU 72 N -4.57 0.62 -2.11 0.28 4.71 -1.14 -4.55 120.64 113.87 1jr5 n GLU 72 Ca 0.34 0.10 -0.38 0.00 -0.01 0.00 0.00 57.16 57.22 1jr5 n GLU 72 Cb 1.35 -1.42 0.01 0.00 -1.01 0.00 0.00 31.44 30.37 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 -3.05 2.57 0.00 -0.32 3.01 0.17 -4.91 117.46 114.94 1jr5 n PHE 73 Ca -0.35 -2.45 0.00 0.00 1.01 0.00 0.00 57.45 55.65 1jr5 n PHE 73 Cb 0.91 -1.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 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 0.41 0.00 -0.59 4.37 3.02 0.29 -3.96 115.26 118.80 1jr5 n ASN 74 Ca 0.53 0.10 0.07 0.00 -0.03 0.00 0.00 54.58 55.24 1jr5 n ASN 74 Cb 0.30 0.00 0.18 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.20 2.66 -0.55 3.52 0.28 -1.26 -4.58 120.64 120.51 1jr5 n GLU 75 Ca 0.00 -2.44 0.09 0.00 -0.16 0.00 0.00 57.16 54.65 1jr5 n GLU 75 Cb 0.00 -1.54 0.33 0.00 1.43 0.00 0.00 31.44 31.66 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 -0.38 2.45 0.00 -1.84 0.00 -1.25 -4.23 105.19 99.94 1jr5 n GLY 76 Ca 0.15 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.06 0.00 0.94 1.61 -1.74 -1.26 -4.80 117.46 113.26 1jr5 n PHE 77 Ca 0.24 -0.04 0.09 0.00 -0.56 0.00 0.00 57.45 57.17 1jr5 n PHE 77 Cb 0.81 -0.00 0.49 0.00 1.52 0.00 0.00 39.48 42.29 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 -0.04 0.33 -0.22 3.97 4.07 -1.26 -1.84 120.64 125.64 1jr5 n GLU 78 Ca 0.00 0.09 0.06 0.00 -0.06 0.00 0.00 57.16 57.25 1jr5 n GLU 78 Cb 0.31 -1.50 0.08 0.00 -0.06 0.00 0.00 31.44 30.28 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 3.16 0.89 8.31 0.00 -1.26 -4.38 105.19 112.17 1jr5 n GLY 79 Ca 0.10 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.88 0.00 0.16 1.61 3.14 -1.07 -4.14 118.33 117.15 1jr5 n VAL 80 Ca 0.10 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.50 1jr5 n VAL 80 Cb 0.65 -0.74 0.23 0.00 -1.06 0.00 0.00 33.84 32.93 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 0.03 1.45 3.20 -1.66 -1.72 116.97 118.27 1jr5 h TYR 81 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 1jr5 h TYR 81 Cb 0.54 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1jr5 h TYR 81 CO 0.00 0.49 -1.48 0.00 -1.64 0.00 0.00 178.16 175.53 1jr5 h ARG 82 N 0.00 0.07 -0.59 1.82 2.47 -1.77 -3.27 114.38 113.12 1jr5 h ARG 82 Ca -0.00 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.56 1jr5 h ARG 82 Cb 1.05 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.39 1jr5 h ARG 82 CO 0.06 0.80 0.19 1.88 0.56 0.00 0.00 179.97 183.46 1jr5 h TYR 83 N 0.02 0.94 0.00 3.04 -1.99 -1.66 -2.05 116.97 115.27 1jr5 h TYR 83 Ca -0.20 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.40 1jr5 h TYR 83 Cb 1.95 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 40.40 1jr5 h TYR 83 CO 0.02 0.78 -0.17 1.37 -0.00 0.00 0.00 178.16 180.16 1jr5 h LEU 84 N 0.83 0.00 -0.80 3.88 -0.00 -1.44 -1.61 115.31 116.17 1jr5 h LEU 84 Ca 0.19 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.95 1jr5 h LEU 84 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1jr5 h LEU 84 CO -0.01 0.17 -0.38 -0.33 -0.00 0.00 0.00 178.44 177.90 1jr5 h GLU 85 N 0.00 0.45 0.00 0.17 4.39 -1.42 0.54 114.58 118.71 1jr5 h GLU 85 Ca -0.00 -0.22 -0.15 0.00 0.34 0.00 0.00 59.36 59.33 1jr5 h GLU 85 Cb 0.52 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1jr5 h GLU 85 CO 0.02 0.77 -1.05 0.52 -1.16 0.00 0.00 179.01 178.11 1jr5 h MET 86 N 0.38 0.00 0.10 2.33 2.86 -1.23 -3.36 114.93 116.01 1jr5 h MET 86 Ca 0.04 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.37 1jr5 h MET 86 Cb 0.84 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 1jr5 h MET 86 CO 0.07 0.44 -1.65 1.88 1.06 0.00 0.00 176.91 178.71 1jr5 h TYR 87 N 0.00 0.37 -2.24 -0.22 0.05 -1.18 -3.46 116.97 110.28 1jr5 h TYR 87 Ca -0.09 -0.27 -0.17 0.00 0.05 0.00 0.00 58.73 58.25 1jr5 h TYR 87 Cb 1.54 -0.01 -0.30 0.00 1.01 0.00 0.00 36.73 38.96 1jr5 h TYR 87 CO 0.00 1.65 -0.48 -0.08 -1.05 0.00 0.00 178.16 178.20 1jr5 s THR 88 N -2.49 -0.55 -0.12 -2.88 -1.32 0.19 -4.48 115.64 103.98 1jr5 s THR 88 Ca -0.23 0.02 -0.30 0.00 -1.21 0.00 0.00 61.69 59.98 1jr5 s THR 88 Cb 0.06 -0.71 0.12 0.00 -1.51 0.00 0.00 72.50 70.45 1jr5 s THR 88 CO 0.73 -0.06 0.96 0.21 -2.21 0.00 0.00 174.62 174.26 1jr5 s ASN 89 N 2.52 -0.38 0.00 8.08 2.47 -1.26 -4.18 114.94 122.20 1jr5 s ASN 89 Ca 0.07 0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.67 1jr5 s ASN 89 Cb -0.14 0.33 0.00 0.00 -1.45 0.00 0.00 41.25 39.98 1jr5 s ASN 89 CO -0.14 -0.41 0.00 2.29 -3.72 0.00 0.00 177.10 175.12