#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 3.81 -4.96 7.83 4.13 -1.26 -4.80 115.26 120.02 1jr5 n ASN 2 Ca 0.00 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 56.06 1jr5 n ASN 2 Cb 0.00 0.87 -0.01 0.00 -1.54 0.00 0.00 39.78 39.10 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 -2.22 3.06 0.24 3.52 2.20 -1.26 -5.01 119.74 120.28 1jr5 s LYS 3 Ca -0.02 -1.05 -0.05 0.00 -0.36 0.00 0.00 55.97 54.49 1jr5 s LYS 3 Cb 0.02 -2.75 0.35 0.00 -1.51 0.00 0.00 37.83 33.94 1jr5 s LYS 3 CO 0.20 0.10 1.85 -0.91 -0.36 0.00 0.00 175.35 176.24 1jr5 h ASN 4 N 1.00 0.84 -1.67 1.43 4.21 -1.95 -2.47 115.58 116.97 1jr5 h ASN 4 Ca -0.46 0.02 0.52 0.00 1.21 0.00 0.00 56.30 57.59 1jr5 h ASN 4 Cb 1.25 -0.16 -0.11 0.00 -1.12 0.00 0.00 38.32 38.19 1jr5 h ASN 4 CO 0.55 0.53 1.15 -0.29 -1.29 0.00 0.00 177.43 178.07 1jr5 h ILE 5 N 0.97 0.01 0.12 2.81 2.10 -1.95 0.66 117.51 122.23 1jr5 h ILE 5 Ca 0.38 -0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.32 1jr5 h ILE 5 Cb 0.20 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 35.94 1jr5 h ILE 5 CO -0.18 0.00 -0.06 0.44 -1.08 0.00 0.00 178.15 177.27 1jr5 h ASP 6 N 0.01 -0.13 0.08 2.19 3.32 -1.85 0.16 116.42 120.20 1jr5 h ASP 6 Ca 0.91 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.96 1jr5 h ASP 6 Cb 3.28 0.03 0.00 0.00 0.22 0.00 0.00 39.33 42.87 1jr5 h ASP 6 CO -0.24 0.01 0.00 0.74 -1.72 0.00 0.00 179.24 178.03 1jr5 h THR 7 N -0.37 0.00 0.07 0.35 2.02 -1.47 -0.95 112.91 112.55 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 0.12 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1jr5 h THR 7 CO 0.03 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.46 1jr5 h VAL 8 N 0.00 0.00 -1.08 3.16 2.07 0.24 0.32 116.25 120.97 1jr5 h VAL 8 Ca 0.00 -0.89 0.29 0.00 0.82 0.00 0.00 66.70 66.92 1jr5 h VAL 8 Cb 0.04 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.71 1jr5 h VAL 8 CO 0.00 0.00 0.69 0.03 0.02 0.00 0.00 177.57 178.31 1jr5 h ARG 9 N -0.98 0.35 0.02 1.57 3.08 -0.18 0.45 114.38 118.69 1jr5 h ARG 9 Ca -0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1jr5 h ARG 9 Cb 0.07 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1jr5 h ARG 9 CO 0.01 0.23 -0.01 1.05 -1.07 0.00 0.00 179.97 180.18 1jr5 h GLU 10 N 0.36 -0.03 -0.51 0.04 4.11 -1.27 -1.83 114.58 115.44 1jr5 h GLU 10 Ca 0.64 0.00 0.10 0.00 0.07 0.00 0.00 59.36 60.17 1jr5 h GLU 10 Cb 1.66 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.81 1jr5 h GLU 10 CO -0.34 0.65 -0.26 0.82 0.07 0.00 0.00 179.01 179.95 1jr5 h ILE 11 N -0.76 0.28 0.99 -1.06 2.04 0.16 0.33 117.51 119.49 1jr5 h ILE 11 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1jr5 h ILE 11 Cb 0.69 0.28 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1jr5 h ILE 11 CO 0.01 0.00 -0.49 0.16 0.00 0.00 0.00 178.15 177.83 1jr5 h ILE 12 N -0.14 0.00 -0.16 -0.67 3.07 -0.34 -1.48 117.51 117.80 1jr5 h ILE 12 Ca 0.23 0.00 0.03 0.00 1.55 0.00 0.00 64.86 66.67 1jr5 h ILE 12 Cb 0.50 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 37.00 1jr5 h ILE 12 CO -0.60 0.00 -0.46 0.74 -1.05 0.00 0.00 178.15 176.78 1jr5 h THR 13 N -1.35 0.00 0.06 0.16 2.02 -0.71 0.92 112.91 114.02 1jr5 h THR 13 Ca -0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1jr5 h THR 13 Cb 1.04 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1jr5 h THR 13 CO 0.22 0.00 -0.45 -0.37 0.37 0.00 0.00 175.52 175.29 1jr5 h VAL 14 N -0.46 0.00 -0.90 3.16 -1.51 -0.39 0.17 116.25 116.32 1jr5 h VAL 14 Ca 0.03 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.75 1jr5 h VAL 14 Cb 0.55 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 29.67 1jr5 h VAL 14 CO -0.39 0.00 0.64 0.00 -1.23 0.00 0.00 177.57 176.59 1jr5 h ALA 15 N -0.67 2.72 -0.21 5.19 0.00 -1.12 0.90 119.26 126.07 1jr5 h ALA 15 Ca 0.00 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1jr5 h ALA 15 Cb 0.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1jr5 h ALA 15 CO -0.26 -0.99 -0.52 0.66 0.00 0.00 0.00 179.25 178.14 1jr5 h SER 16 N 0.08 0.64 -0.80 0.00 4.64 0.98 -1.12 113.55 117.98 1jr5 h SER 16 Ca 0.44 -0.33 0.05 0.00 -0.47 0.00 0.00 61.79 61.47 1jr5 h SER 16 Cb 1.61 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.47 1jr5 h SER 16 CO -0.05 1.04 0.50 0.40 -0.87 0.00 0.00 176.83 177.86 1jr5 h ILE 17 N 0.46 1.07 0.19 0.95 2.04 0.36 0.45 117.51 123.02 1jr5 h ILE 17 Ca 0.02 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1jr5 h ILE 17 Cb 1.06 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1jr5 h ILE 17 CO 0.10 0.17 -0.18 -0.07 0.00 0.00 0.00 178.15 178.17 1jr5 h LEU 18 N 0.94 -0.48 -1.94 1.44 3.38 -0.87 0.16 115.31 117.94 1jr5 h LEU 18 Ca 0.34 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.43 1jr5 h LEU 18 Cb 0.09 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1jr5 h LEU 18 CO -0.14 -0.27 0.23 -0.29 0.09 0.00 0.00 178.44 178.05 1jr5 h ILE 19 N -0.40 0.87 0.00 1.22 2.10 -0.11 1.18 117.51 122.38 1jr5 h ILE 19 Ca 0.00 -0.02 -0.18 0.00 1.08 0.00 0.00 64.86 65.73 1jr5 h ILE 19 Cb 0.37 0.80 -0.02 0.00 -1.09 0.00 0.00 36.82 36.88 1jr5 h ILE 19 CO -0.04 0.01 -0.85 0.50 -1.08 0.00 0.00 178.15 176.69 1jr5 h LYS 20 N 0.07 0.07 -0.98 2.19 3.11 0.11 -3.07 116.57 118.06 1jr5 h LYS 20 Ca 0.15 -0.08 -0.31 0.00 -2.81 0.00 0.00 60.65 57.60 1jr5 h LYS 20 Cb 0.51 0.02 -0.19 0.00 -1.00 0.00 0.00 32.23 31.58 1jr5 h LYS 20 CO -0.01 0.87 0.40 1.19 -2.81 0.00 0.00 179.45 179.08 1jr5 n PHE 21 N -3.59 1.94 -2.63 1.91 3.72 0.45 -4.83 117.46 114.44 1jr5 n PHE 21 Ca -0.02 -1.31 -0.19 0.00 -0.05 0.00 0.00 57.45 55.89 1jr5 n PHE 21 Cb 0.80 -0.68 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 -0.50 -5.19 -1.25 4.37 7.64 -1.06 -4.85 113.62 112.78 1jr5 n SER 22 Ca 0.37 -0.04 -0.01 0.00 1.01 0.00 0.00 58.87 60.19 1jr5 n SER 22 Cb 1.23 -4.31 0.23 0.00 -1.01 0.00 0.00 64.21 60.35 1jr5 n SER 22 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1jr5 n ARG 23 N -3.23 2.47 0.15 1.43 5.12 0.39 -4.62 116.66 118.37 1jr5 n ARG 23 Ca -0.17 -3.04 0.19 0.00 -1.93 0.00 0.00 57.85 52.90 1jr5 n ARG 23 Cb 0.64 -1.90 0.77 0.00 -1.16 0.00 0.00 32.46 30.80 1jr5 n ARG 23 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1jr5 h GLU 24 N 1.47 0.00 -0.94 5.56 4.81 -1.78 0.39 114.58 124.09 1jr5 h GLU 24 Ca 0.18 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1jr5 h GLU 24 Cb 1.76 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.08 1jr5 h GLU 24 CO 0.43 0.00 0.61 0.38 -0.73 0.00 0.00 179.01 179.70 1jr5 h ASP 25 N 0.00 0.96 0.78 1.04 2.03 -1.92 0.54 116.42 119.85 1jr5 h ASP 25 Ca 0.14 0.01 -0.22 0.00 -0.73 0.00 0.00 57.03 56.23 1jr5 h ASP 25 Cb 0.94 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 39.23 1jr5 h ASP 25 CO -0.00 0.62 -1.00 0.40 -1.03 0.00 0.00 179.24 178.22 1jr5 h ILE 26 N 1.09 1.59 0.00 4.15 2.04 -0.61 -3.23 117.51 122.55 1jr5 h ILE 26 Ca 0.41 -3.06 -0.10 0.00 1.00 0.00 0.00 64.86 63.11 1jr5 h ILE 26 Cb 0.18 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1jr5 h ILE 26 CO -0.15 0.88 -0.48 0.58 0.00 0.00 0.00 178.15 178.98 1jr5 h VAL 27 N 0.05 1.25 -0.46 1.67 2.07 -0.39 -2.61 116.25 117.82 1jr5 h VAL 27 Ca -0.05 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1jr5 h VAL 27 Cb 1.71 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1jr5 h VAL 27 CO 0.15 0.47 0.00 -1.84 0.02 0.00 0.00 177.57 176.36 1jr5 n GLU 28 N -3.84 2.09 -4.26 1.57 0.28 0.17 -4.76 120.64 111.89 1jr5 n GLU 28 Ca -0.01 -1.67 -0.19 0.00 -0.16 0.00 0.00 57.16 55.13 1jr5 n GLU 28 Cb 0.51 -1.37 -0.13 0.00 1.43 0.00 0.00 31.44 31.89 1jr5 n GLU 28 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1jr5 s ASN 29 N -0.99 1.65 0.01 -1.84 2.47 -1.21 -4.64 114.94 110.38 1jr5 s ASN 29 Ca 0.31 -0.53 -0.10 0.00 0.42 0.00 0.00 52.86 52.96 1jr5 s ASN 29 Cb 0.16 -0.08 -0.06 0.00 -1.45 0.00 0.00 41.25 39.83 1jr5 s ASN 29 CO 0.21 -0.02 0.98 0.03 -3.72 0.00 0.00 177.10 174.57 1jr5 h ARG 30 N 4.62 -0.35 -0.97 0.43 3.08 -1.91 -1.17 114.38 118.11 1jr5 h ARG 30 Ca -0.39 0.02 0.22 0.00 0.07 0.00 0.00 59.98 59.90 1jr5 h ARG 30 Cb 1.19 0.08 -0.09 0.00 0.08 0.00 0.00 29.97 31.23 1jr5 h ARG 30 CO 0.42 -0.23 0.62 0.00 -1.07 0.00 0.00 179.97 179.71 1jr5 h ALA 31 N -1.78 2.05 0.41 0.04 0.00 -1.95 0.21 119.26 118.24 1jr5 h ALA 31 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jr5 h ALA 31 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jr5 h ALA 31 CO 0.06 -0.40 -0.21 -0.91 0.00 0.00 0.00 179.25 177.79 1jr5 h ASN 32 N 0.52 -0.52 -0.74 0.00 2.35 -1.79 -0.56 115.58 114.84 1jr5 h ASN 32 Ca 0.54 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.35 1jr5 h ASN 32 Cb 1.18 0.14 -0.05 0.00 0.05 0.00 0.00 38.32 39.64 1jr5 h ASN 32 CO -0.27 -0.35 0.46 0.15 -1.65 0.00 0.00 177.43 175.77 1jr5 h PHE 33 N -0.57 0.85 -0.80 1.19 3.57 -0.62 0.27 116.94 120.82 1jr5 h PHE 33 Ca -0.06 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1jr5 h PHE 33 Cb 0.44 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1jr5 h PHE 33 CO 0.09 0.46 0.52 0.82 -2.23 0.00 0.00 178.31 177.97 1jr5 h ILE 34 N 0.87 1.21 -0.26 1.41 2.04 -0.62 0.27 117.51 122.43 1jr5 h ILE 34 Ca 0.31 -0.41 -0.15 0.00 1.00 0.00 0.00 64.86 65.61 1jr5 h ILE 34 Cb 0.08 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1jr5 h ILE 34 CO -0.13 0.21 -0.44 0.00 0.00 0.00 0.00 178.15 177.78 1jr5 h ALA 35 N 1.28 0.73 0.01 1.87 0.00 -0.50 -1.32 119.26 121.33 1jr5 h ALA 35 Ca 0.29 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jr5 h ALA 35 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1jr5 h ALA 35 CO -0.06 0.67 -0.04 0.35 0.00 0.00 0.00 179.25 180.16 1jr5 h PHE 36 N 0.54 -0.10 -0.21 0.00 3.57 0.41 0.45 116.94 121.59 1jr5 h PHE 36 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jr5 h PHE 36 Cb 0.98 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1jr5 h PHE 36 CO 0.05 -0.07 0.11 -0.07 -2.23 0.00 0.00 178.31 176.10 1jr5 h LEU 37 N -0.08 0.27 -0.03 0.59 3.38 -0.42 -1.57 115.31 117.45 1jr5 h LEU 37 Ca 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1jr5 h LEU 37 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jr5 h LEU 37 CO -0.04 0.28 0.00 -0.46 0.09 0.00 0.00 178.44 178.32 1jr5 n ASN 38 N -4.88 0.13 -0.08 -0.43 0.23 -0.51 -1.00 115.26 108.73 1jr5 n ASN 38 Ca -0.03 0.52 -0.15 0.00 -0.53 0.00 0.00 54.58 54.39 1jr5 n ASN 38 Cb 0.08 -0.55 -0.14 0.00 -2.08 0.00 0.00 39.78 37.09 1jr5 n ASN 38 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1jr5 n GLU 39 N -1.63 0.68 0.09 -3.83 0.28 0.16 -4.37 120.64 112.02 1jr5 n GLU 39 Ca 0.06 0.15 -0.06 0.00 -0.16 0.00 0.00 57.16 57.14 1jr5 n GLU 39 Cb 0.31 -1.60 -0.01 0.00 1.43 0.00 0.00 31.44 31.57 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 0.01 1.57 0.00 3.84 -2.65 -1.38 -3.48 117.51 115.43 1jr5 h ILE 40 Ca -0.49 -2.81 0.00 0.00 1.03 0.00 0.00 64.86 62.59 1jr5 h ILE 40 Cb 2.05 2.54 0.00 0.00 -2.05 0.00 0.00 36.82 39.37 1jr5 h ILE 40 CO 0.01 0.81 0.00 0.61 0.03 0.00 0.00 178.15 179.61 1jr5 n GLY 41 N 0.92 0.98 3.80 0.16 0.00 -1.17 -5.13 105.19 104.75 1jr5 n GLY 41 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.67 4.96 0.21 1.61 1.01 -0.17 -5.06 120.40 121.30 1jr5 s VAL 42 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 1jr5 s VAL 42 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1jr5 s VAL 42 CO 0.00 0.49 0.32 0.42 0.00 0.00 0.00 175.10 176.33 1jr5 s THR 43 N -1.09 0.02 -0.02 3.92 -4.23 -1.26 -4.04 115.64 108.94 1jr5 s THR 43 Ca 0.19 -1.58 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1jr5 s THR 43 Cb -0.12 -2.19 0.04 0.00 1.34 0.00 0.00 72.50 71.58 1jr5 s THR 43 CO 0.09 -0.09 0.83 1.57 -0.54 0.00 0.00 174.62 176.48 1jr5 n HIS 44 N -0.30 0.00 0.00 3.99 -0.00 -1.14 -4.64 115.22 113.13 1jr5 n HIS 44 Ca -0.02 -0.30 0.00 0.00 0.46 0.00 0.00 57.72 57.86 1jr5 n HIS 44 Cb 0.63 -0.05 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 -0.36 0.00 -1.01 1.57 0.28 -1.26 -4.92 120.64 114.94 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 0.48 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.34 1jr5 n GLU 45 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jr5 n GLY 46 N 0.00 0.39 2.85 -1.84 0.00 -1.26 -4.99 105.19 100.34 1jr5 n GLY 46 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.72 0.02 0.00 1.61 1.70 -1.26 -5.08 118.95 115.22 1jr5 s ARG 47 Ca 0.00 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.46 1jr5 s ARG 47 Cb 0.00 -0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.23 1jr5 s ARG 47 CO 0.00 -0.12 0.00 0.36 -1.08 0.00 0.00 175.30 174.46 1jr5 n LYS 48 N 3.86 2.83 -4.03 3.89 -0.00 -1.26 -2.88 118.16 120.59 1jr5 n LYS 48 Ca -0.23 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 57.93 1jr5 n LYS 48 Cb 0.53 0.00 -0.15 0.00 -0.00 0.00 0.00 35.03 35.42 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 1.83 -0.25 -5.58 1.43 -1.26 -4.66 118.68 110.19 1jr5 s LEU 49 Ca 0.00 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1jr5 s LEU 49 Cb 0.00 -0.18 -0.16 0.00 0.03 0.00 0.00 46.19 45.88 1jr5 s LEU 49 CO 0.00 0.01 -0.23 -3.20 0.23 0.00 0.00 176.35 173.16 1jr5 n ASN 50 N 3.24 2.07 0.00 2.29 5.15 -1.26 -4.53 115.26 122.22 1jr5 n ASN 50 Ca -0.16 -0.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 1jr5 n ASN 50 Cb 0.57 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jr5 n GLN 51 N -3.32 0.00 -0.09 1.20 1.13 -1.26 -4.89 117.38 110.16 1jr5 n GLN 51 Ca -0.44 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.43 1jr5 n GLN 51 Cb 0.95 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 31.18 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 0.01 -0.72 1.08 -1.24 -1.99 -3.34 115.58 109.38 1jr5 h ASN 52 Ca 0.00 -0.73 0.08 0.00 0.71 0.00 0.00 56.30 56.36 1jr5 h ASN 52 Cb 0.00 -0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.95 1jr5 h ASN 52 CO 0.00 1.28 -0.38 -1.20 -1.29 0.00 0.00 177.43 175.84 1jr5 n SER 53 N -4.49 -0.67 0.00 1.15 7.64 -1.26 0.10 113.62 116.09 1jr5 n SER 53 Ca -0.22 1.28 -0.11 0.00 1.01 0.00 0.00 58.87 60.82 1jr5 n SER 53 Cb 0.60 -0.20 -0.06 0.00 -1.01 0.00 0.00 64.21 63.54 1jr5 n SER 53 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1jr5 h PHE 54 N 0.00 0.11 -0.21 1.43 3.57 -1.96 0.47 116.94 120.36 1jr5 h PHE 54 Ca 0.16 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1jr5 h PHE 54 Cb 0.34 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1jr5 h PHE 54 CO -0.71 0.11 0.01 0.07 -2.23 0.00 0.00 178.31 175.56 1jr5 h ARG 55 N 0.08 0.07 0.00 1.11 -0.00 -0.41 -1.06 114.38 114.17 1jr5 h ARG 55 Ca 0.03 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.93 1jr5 h ARG 55 Cb 0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 29.98 1jr5 h ARG 55 CO -0.01 0.05 -0.38 0.87 -0.00 0.00 0.00 179.97 180.51 1jr5 h LYS 56 N 0.08 0.00 0.33 0.08 1.57 0.83 0.41 116.57 119.86 1jr5 h LYS 56 Ca 0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1jr5 h LYS 56 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1jr5 h LYS 56 CO -0.16 0.38 -0.29 0.82 -0.57 0.00 0.00 179.45 179.63 1jr5 h ILE 57 N 0.00 0.40 -0.31 1.86 2.04 0.11 0.14 117.51 121.75 1jr5 h ILE 57 Ca -0.00 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.68 1jr5 h ILE 57 Cb 0.73 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1jr5 h ILE 57 CO 0.05 0.00 -0.49 0.58 0.00 0.00 0.00 178.15 178.29 1jr5 h VAL 58 N -0.63 1.28 -0.36 1.67 2.07 -1.05 0.11 116.25 119.33 1jr5 h VAL 58 Ca -0.02 -1.67 0.10 0.00 0.82 0.00 0.00 66.70 65.93 1jr5 h VAL 58 Cb 0.56 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1jr5 h VAL 58 CO -0.03 0.55 0.31 -1.28 0.02 0.00 0.00 177.57 177.13 1jr5 h SER 59 N 0.67 0.00 -0.15 0.57 0.87 0.14 0.87 113.55 116.52 1jr5 h SER 59 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1jr5 h SER 59 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1jr5 h SER 59 CO 0.11 0.00 0.00 -1.84 -0.53 0.00 0.00 176.83 174.57 1jr5 n GLU 60 N -4.10 2.55 -3.10 2.24 0.28 0.47 -4.98 120.64 113.99 1jr5 n GLU 60 Ca 0.06 -2.23 -0.39 0.00 -0.16 0.00 0.00 57.16 54.44 1jr5 n GLU 60 Cb 0.48 -1.39 -0.05 0.00 1.43 0.00 0.00 31.44 31.90 1jr5 n GLU 60 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1jr5 s LEU 61 N -1.89 4.36 0.29 -1.84 1.98 0.30 -5.02 118.68 116.86 1jr5 s LEU 61 Ca 0.24 1.18 0.09 0.00 -2.89 0.00 0.00 54.13 52.75 1jr5 s LEU 61 Cb 0.18 -3.02 -0.04 0.00 0.66 0.00 0.00 46.19 43.96 1jr5 s LEU 61 CO 0.07 -0.03 0.05 0.28 -1.89 0.00 0.00 176.35 174.83 1jr5 s THR 62 N 0.42 3.32 -0.21 3.68 -1.32 -1.26 -4.95 115.64 115.31 1jr5 s THR 62 Ca 0.35 -1.83 0.23 0.00 -1.21 0.00 0.00 61.69 59.24 1jr5 s THR 62 Cb -0.18 -2.91 0.24 0.00 -1.51 0.00 0.00 72.50 68.14 1jr5 s THR 62 CO 0.18 -0.30 1.72 0.06 -2.21 0.00 0.00 174.62 174.06 1jr5 h GLN 63 N 1.76 0.00 0.00 7.08 -0.00 -1.99 -0.56 115.11 121.40 1jr5 h GLN 63 Ca -0.44 0.00 -0.26 0.00 -0.00 0.00 0.00 58.65 57.95 1jr5 h GLN 63 Cb 1.25 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.75 1jr5 h GLN 63 CO 0.62 0.00 -1.02 0.93 -0.00 0.00 0.00 178.83 179.36 1jr5 h GLU 64 N 0.00 0.62 -0.50 0.06 5.08 -1.99 -1.51 114.58 116.33 1jr5 h GLU 64 Ca 0.00 -0.67 0.06 0.00 -1.00 0.00 0.00 59.36 57.76 1jr5 h GLU 64 Cb 0.09 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1jr5 h GLU 64 CO 0.00 1.27 0.34 0.22 -1.00 0.00 0.00 179.01 179.83 1jr5 h ASP 65 N 0.35 0.37 0.05 1.42 1.82 -1.50 -0.95 116.42 117.97 1jr5 h ASP 65 Ca -0.12 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1jr5 h ASP 65 Cb 1.67 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.60 1jr5 h ASP 65 CO 0.19 0.24 -0.02 0.50 -1.61 0.00 0.00 179.24 178.54 1jr5 h LYS 66 N 0.42 -0.06 -0.46 0.28 3.64 -1.30 -0.61 116.57 118.48 1jr5 h LYS 66 Ca 0.22 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.66 1jr5 h LYS 66 Cb 0.33 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.11 1jr5 h LYS 66 CO -0.06 0.32 0.15 0.87 -2.27 0.00 0.00 179.45 178.47 1jr5 h LYS 67 N -0.45 0.31 -0.54 1.90 1.79 -0.24 0.31 116.57 119.64 1jr5 h LYS 67 Ca -0.01 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.33 1jr5 h LYS 67 Cb 0.41 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1jr5 h LYS 67 CO 0.01 0.21 -0.12 1.15 -1.08 0.00 0.00 179.45 179.62 1jr5 h THR 68 N 0.32 1.27 0.00 -0.16 2.02 -1.22 -1.24 112.91 113.90 1jr5 h THR 68 Ca 0.22 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1jr5 h THR 68 Cb 0.22 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1jr5 h THR 68 CO -0.23 0.45 0.00 0.17 0.37 0.00 0.00 175.52 176.29 1jr5 h LEU 69 N 0.92 0.00 -0.22 2.58 -0.00 -0.78 -2.95 115.31 114.85 1jr5 h LEU 69 Ca 0.14 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.80 1jr5 h LEU 69 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 1jr5 h LEU 69 CO 0.05 0.00 -0.84 0.40 -0.00 0.00 0.00 178.44 178.05 1jr5 h ILE 70 N 0.00 1.34 -1.58 0.15 2.04 -0.16 0.36 117.51 119.65 1jr5 h ILE 70 Ca 0.00 -2.18 0.51 0.00 1.00 0.00 0.00 64.86 64.19 1jr5 h ILE 70 Cb 0.95 2.18 -0.12 0.00 -0.74 0.00 0.00 36.82 39.09 1jr5 h ILE 70 CO 0.00 0.67 1.06 -0.67 0.00 0.00 0.00 178.15 179.21 1jr5 n ASP 71 N -3.85 0.14 -0.07 1.72 -0.08 -0.49 -0.48 116.55 113.45 1jr5 n ASP 71 Ca -0.07 1.27 -0.09 0.00 -1.51 0.00 0.00 54.79 54.40 1jr5 n ASP 71 Cb 0.77 -0.63 -0.07 0.00 2.34 0.00 0.00 41.12 43.53 1jr5 n ASP 71 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1jr5 n GLU 72 N -4.48 0.85 -2.33 -0.67 1.02 -1.18 -4.66 120.64 109.18 1jr5 n GLU 72 Ca 0.42 0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 57.21 1jr5 n GLU 72 Cb 1.73 -1.28 0.01 0.00 -0.02 0.00 0.00 31.44 31.87 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 -2.78 2.68 0.00 -0.32 3.01 0.12 -4.89 117.46 115.29 1jr5 n PHE 73 Ca -0.23 -2.66 0.00 0.00 1.01 0.00 0.00 57.45 55.57 1jr5 n PHE 73 Cb 0.79 -1.48 0.00 0.00 -0.01 0.00 0.00 39.48 38.79 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 0.71 0.00 -1.31 4.37 3.02 0.37 -3.31 115.26 119.11 1jr5 n ASN 74 Ca 0.54 0.39 0.08 0.00 -0.03 0.00 0.00 54.58 55.57 1jr5 n ASN 74 Cb 0.26 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 39.74 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 -0.71 3.60 -0.00 3.52 0.28 -1.26 -4.39 120.64 121.69 1jr5 n GLU 75 Ca 0.00 -2.80 0.10 0.00 -0.16 0.00 0.00 57.16 54.30 1jr5 n GLU 75 Cb 0.00 -1.85 -0.12 0.00 1.43 0.00 0.00 31.44 30.90 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 0.51 -1.01 0.04 -1.84 0.00 -1.23 -4.47 105.19 97.19 1jr5 n GLY 76 Ca 0.23 -0.58 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1jr5 n GLY 76 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jr5 n PHE 77 N -1.64 0.00 0.19 1.61 -0.00 -1.21 -4.58 117.46 111.83 1jr5 n PHE 77 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.50 1jr5 n PHE 77 Cb 0.37 -0.42 0.10 0.00 -0.00 0.00 0.00 39.48 39.53 1jr5 n PHE 77 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1jr5 n GLU 78 N -2.26 0.06 0.00 -4.13 2.13 -1.26 0.14 120.64 115.32 1jr5 n GLU 78 Ca -0.13 0.25 0.02 0.00 0.66 0.00 0.00 57.16 57.96 1jr5 n GLU 78 Cb 0.71 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.92 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 -0.95 -0.06 0.20 8.31 0.00 -1.26 -4.44 105.19 107.00 1jr5 n GLY 79 Ca 0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.54 0.34 0.29 1.61 3.14 -0.60 -3.82 118.33 118.76 1jr5 n VAL 80 Ca 0.02 -0.12 0.16 0.00 -2.96 0.00 0.00 64.34 61.44 1jr5 n VAL 80 Cb 0.09 -0.91 0.91 0.00 -1.06 0.00 0.00 33.84 32.87 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 -0.05 0.00 0.00 1.45 3.20 -0.59 0.62 116.97 121.61 1jr5 h TYR 81 Ca -0.14 0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.53 1jr5 h TYR 81 Cb 1.19 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.43 1jr5 h TYR 81 CO 0.00 0.04 -1.49 0.54 -1.64 0.00 0.00 178.16 175.62 1jr5 n ARG 82 N -3.50 0.62 0.02 1.82 5.12 -1.26 -3.86 116.66 115.63 1jr5 n ARG 82 Ca -0.02 0.24 -0.19 0.00 -1.93 0.00 0.00 57.85 55.95 1jr5 n ARG 82 Cb 0.16 -1.80 -0.14 0.00 -1.16 0.00 0.00 32.46 29.51 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 0.00 0.43 -0.06 -1.55 -1.99 -1.10 -0.34 116.97 112.36 1jr5 h TYR 83 Ca -0.19 -0.31 0.02 0.00 2.00 0.00 0.00 58.73 60.24 1jr5 h TYR 83 Cb 1.68 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 40.39 1jr5 h TYR 83 CO 0.00 1.26 0.07 1.37 -0.00 0.00 0.00 178.16 180.86 1jr5 h LEU 84 N -0.50 0.00 0.09 3.88 -0.00 -0.03 -1.95 115.31 116.81 1jr5 h LEU 84 Ca -0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.88 57.39 1jr5 h LEU 84 Cb 1.52 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.15 1jr5 h LEU 84 CO 0.12 0.00 -2.11 1.21 -0.00 0.00 0.00 178.44 177.66 1jr5 n GLU 85 N -3.79 0.73 -0.34 0.17 2.13 -1.24 -2.88 120.64 115.43 1jr5 n GLU 85 Ca -0.02 0.23 0.20 0.00 0.66 0.00 0.00 57.16 58.24 1jr5 n GLU 85 Cb 0.16 -1.67 0.44 0.00 0.27 0.00 0.00 31.44 30.64 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 0.05 0.47 0.11 5.31 2.86 -0.29 0.96 114.93 124.41 1jr5 h MET 86 Ca -0.46 -0.03 -0.35 0.00 -2.06 0.00 0.00 59.70 56.81 1jr5 h MET 86 Cb 2.01 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.54 1jr5 h MET 86 CO 0.05 0.31 -1.89 1.88 1.06 0.00 0.00 176.91 178.32 1jr5 h TYR 87 N 0.49 0.43 -2.74 -0.22 0.05 -1.62 -3.42 116.97 109.94 1jr5 h TYR 87 Ca 0.65 -0.32 -0.60 0.00 0.05 0.00 0.00 58.73 58.51 1jr5 h TYR 87 Cb 1.40 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 38.73 1jr5 h TYR 87 CO -0.01 1.62 -0.80 0.95 -1.05 0.00 0.00 178.16 178.88 1jr5 s THR 88 N -2.57 1.29 0.07 -2.88 -4.23 -0.23 -4.90 115.64 102.19 1jr5 s THR 88 Ca -0.18 -3.00 -0.14 0.00 -1.18 0.00 0.00 61.69 57.19 1jr5 s THR 88 Cb 0.07 -1.88 -0.06 0.00 1.34 0.00 0.00 72.50 71.96 1jr5 s THR 88 CO 0.80 -1.07 0.47 0.54 -0.54 0.00 0.00 174.62 174.82 1jr5 s ASN 89 N -0.21 6.82 0.00 3.99 2.20 0.32 -4.09 114.94 123.98 1jr5 s ASN 89 Ca 0.26 1.01 0.00 0.00 -0.94 0.00 0.00 52.86 53.18 1jr5 s ASN 89 Cb -0.08 -2.26 0.00 0.00 -2.00 0.00 0.00 41.25 36.91 1jr5 s ASN 89 CO -0.12 0.23 0.39 2.29 -2.94 0.00 0.00 177.10 176.95