#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 -0.76 -4.14 6.12 6.94 -1.26 -5.10 115.26 117.05 1jr5 n ASN 2 Ca 0.00 -1.48 -0.25 0.00 -0.02 0.00 0.00 54.58 52.83 1jr5 n ASN 2 Cb 0.00 0.27 -0.08 0.00 -2.36 0.00 0.00 39.78 37.61 1jr5 n ASN 2 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jr5 s LYS 3 N 0.02 1.89 0.11 -3.83 3.01 -1.26 -5.05 119.74 114.63 1jr5 s LYS 3 Ca 0.02 -2.14 -0.18 0.00 -1.01 0.00 0.00 55.97 52.65 1jr5 s LYS 3 Cb 0.08 -0.61 -0.05 0.00 -1.01 0.00 0.00 37.83 36.23 1jr5 s LYS 3 CO -0.02 -0.45 1.62 -0.91 0.51 0.00 0.00 175.35 176.09 1jr5 h ASN 4 N 1.83 0.43 -1.49 2.83 4.21 -1.94 -2.75 115.58 118.70 1jr5 h ASN 4 Ca -0.36 -0.21 0.44 0.00 1.21 0.00 0.00 56.30 57.38 1jr5 h ASN 4 Cb 1.27 -0.11 -0.08 0.00 -1.12 0.00 0.00 38.32 38.28 1jr5 h ASN 4 CO 0.58 0.52 1.05 -0.29 -1.29 0.00 0.00 177.43 178.00 1jr5 h ILE 5 N 0.31 0.22 0.00 2.81 2.10 -1.96 0.47 117.51 121.46 1jr5 h ILE 5 Ca 0.09 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 66.02 1jr5 h ILE 5 Cb 0.25 0.18 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 1jr5 h ILE 5 CO -0.00 0.01 0.00 0.47 -1.08 0.00 0.00 178.15 177.55 1jr5 n ASP 6 N -4.20 0.00 0.28 2.19 8.00 -1.04 0.02 116.55 121.80 1jr5 n ASP 6 Ca 0.34 0.68 0.15 0.00 0.71 0.00 0.00 54.79 56.67 1jr5 n ASP 6 Cb 1.54 -0.41 0.89 0.00 -0.02 0.00 0.00 41.12 43.12 1jr5 n ASP 6 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1jr5 h THR 7 N 0.00 0.52 0.29 -3.53 2.02 -1.55 -1.18 112.91 109.48 1jr5 h THR 7 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1jr5 h THR 7 Cb 0.00 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1jr5 h THR 7 CO 0.00 0.00 -0.14 0.58 0.37 0.00 0.00 175.52 176.33 1jr5 h VAL 8 N 0.00 0.00 -1.11 3.16 2.07 -0.13 0.39 116.25 120.62 1jr5 h VAL 8 Ca 0.02 -0.47 0.38 0.00 0.82 0.00 0.00 66.70 67.45 1jr5 h VAL 8 Cb 0.11 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.73 1jr5 h VAL 8 CO -0.00 0.00 0.67 -0.09 0.02 0.00 0.00 177.57 178.17 1jr5 h ARG 9 N -0.86 0.17 0.40 1.57 1.12 0.01 0.41 114.38 117.20 1jr5 h ARG 9 Ca -0.04 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.80 1jr5 h ARG 9 Cb 0.30 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.23 1jr5 h ARG 9 CO 0.07 0.12 -0.19 1.49 -3.11 0.00 0.00 179.97 178.34 1jr5 h GLU 10 N 0.18 -0.52 -0.79 0.20 4.57 -1.22 -1.97 114.58 115.02 1jr5 h GLU 10 Ca 0.78 0.04 0.17 0.00 -1.18 0.00 0.00 59.36 59.16 1jr5 h GLU 10 Cb 2.09 0.12 -0.15 0.00 -0.16 0.00 0.00 28.75 30.66 1jr5 h GLU 10 CO -0.55 -0.35 -0.11 0.82 -1.18 0.00 0.00 179.01 177.64 1jr5 h ILE 11 N -1.09 0.24 0.76 2.32 2.04 0.27 0.45 117.51 122.50 1jr5 h ILE 11 Ca -0.06 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1jr5 h ILE 11 Cb 0.41 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1jr5 h ILE 11 CO 0.09 0.01 -0.37 0.16 0.00 0.00 0.00 178.15 178.04 1jr5 h ILE 12 N 0.03 0.00 -0.13 -0.67 3.07 -0.43 -1.69 117.51 117.70 1jr5 h ILE 12 Ca 0.40 -0.06 0.03 0.00 1.55 0.00 0.00 64.86 66.78 1jr5 h ILE 12 Cb 0.67 0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 37.16 1jr5 h ILE 12 CO -0.77 0.00 -0.50 0.74 -1.05 0.00 0.00 178.15 176.57 1jr5 h THR 13 N -1.09 0.00 -0.15 0.16 2.02 -0.51 0.40 112.91 113.75 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 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1jr5 h THR 13 CO 0.17 0.00 -0.26 -0.37 0.37 0.00 0.00 175.52 175.44 1jr5 h VAL 14 N -0.53 0.00 -0.66 3.16 -1.51 -0.19 0.47 116.25 116.98 1jr5 h VAL 14 Ca 0.03 0.00 0.19 0.00 -1.23 0.00 0.00 66.70 65.69 1jr5 h VAL 14 Cb 0.63 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.76 1jr5 h VAL 14 CO -0.41 0.00 0.54 0.00 -1.23 0.00 0.00 177.57 176.47 1jr5 h ALA 15 N -0.78 2.53 -0.03 5.19 0.00 -1.18 0.90 119.26 125.90 1jr5 h ALA 15 Ca 0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1jr5 h ALA 15 Cb 0.29 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1jr5 h ALA 15 CO -0.25 -0.88 -0.82 0.66 0.00 0.00 0.00 179.25 177.96 1jr5 h SER 16 N 0.00 0.38 -0.75 0.00 4.64 0.15 -1.45 113.55 116.52 1jr5 h SER 16 Ca 0.32 -0.28 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 1jr5 h SER 16 Cb 1.40 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 63.31 1jr5 h SER 16 CO -0.00 1.05 0.43 0.40 -0.87 0.00 0.00 176.83 177.83 1jr5 h ILE 17 N 0.19 0.96 0.41 0.95 2.04 0.53 0.23 117.51 122.81 1jr5 h ILE 17 Ca -0.04 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1jr5 h ILE 17 Cb 1.42 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1jr5 h ILE 17 CO 0.13 0.14 -0.28 -0.07 0.00 0.00 0.00 178.15 178.08 1jr5 h LEU 18 N 0.76 -0.70 -1.97 1.44 3.38 -1.04 0.24 115.31 117.42 1jr5 h LEU 18 Ca 0.34 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.52 1jr5 h LEU 18 Cb 0.24 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1jr5 h LEU 18 CO -0.20 -0.43 0.40 -0.29 0.09 0.00 0.00 178.44 178.01 1jr5 h ILE 19 N -0.66 0.73 0.01 1.22 2.10 -0.27 1.07 117.51 121.70 1jr5 h ILE 19 Ca -0.04 -0.01 -0.20 0.00 1.08 0.00 0.00 64.86 65.69 1jr5 h ILE 19 Cb 0.56 0.70 -0.02 0.00 -1.09 0.00 0.00 36.82 36.96 1jr5 h ILE 19 CO 0.02 0.01 -0.95 0.50 -1.08 0.00 0.00 178.15 176.65 1jr5 h LYS 20 N 0.03 0.03 -0.88 2.19 3.11 0.37 -3.07 116.57 118.35 1jr5 h LYS 20 Ca 0.27 -0.04 -0.11 0.00 -2.81 0.00 0.00 60.65 57.95 1jr5 h LYS 20 Cb 1.03 0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 32.21 1jr5 h LYS 20 CO -0.01 0.96 0.14 1.19 -2.81 0.00 0.00 179.45 178.92 1jr5 n PHE 21 N -3.45 1.29 -2.65 1.91 3.72 0.17 -4.84 117.46 113.62 1jr5 n PHE 21 Ca -0.01 -0.72 -0.20 0.00 -0.05 0.00 0.00 57.45 56.47 1jr5 n PHE 21 Cb 0.89 -0.44 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 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 0.04 -5.79 -1.27 4.37 2.88 -0.72 -4.88 113.62 108.25 1jr5 n SER 22 Ca 0.21 -0.13 -0.03 0.00 -1.33 0.00 0.00 58.87 57.59 1jr5 n SER 22 Cb 0.90 -4.73 0.22 0.00 -0.75 0.00 0.00 64.21 59.85 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 -3.34 2.35 0.33 -1.46 5.12 0.32 -4.60 116.66 115.37 1jr5 n ARG 23 Ca -0.18 -3.06 0.19 0.00 -1.93 0.00 0.00 57.85 52.87 1jr5 n ARG 23 Cb 0.65 -1.90 1.00 0.00 -1.16 0.00 0.00 32.46 31.05 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 1.37 0.00 -0.34 5.56 4.81 -1.79 0.35 114.58 124.53 1jr5 h GLU 24 Ca 0.21 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 1jr5 h GLU 24 Cb 1.79 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.15 1jr5 h GLU 24 CO 0.45 0.00 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.26 1jr5 h ASP 25 N 0.00 0.51 0.22 1.04 3.32 -1.94 0.64 116.42 120.22 1jr5 h ASP 25 Ca 0.00 -0.11 -0.32 0.00 0.02 0.00 0.00 57.03 56.62 1jr5 h ASP 25 Cb 0.33 -0.13 0.03 0.00 0.22 0.00 0.00 39.33 39.78 1jr5 h ASP 25 CO 0.00 0.60 -1.39 0.40 -1.72 0.00 0.00 179.24 177.13 1jr5 h ILE 26 N 0.51 1.29 0.00 0.35 2.04 -0.71 -3.15 117.51 117.85 1jr5 h ILE 26 Ca 0.11 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.34 1jr5 h ILE 26 Cb 0.38 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1jr5 h ILE 26 CO 0.02 0.79 0.00 0.58 0.00 0.00 0.00 178.15 179.54 1jr5 h VAL 27 N 0.20 0.00 -0.11 1.67 2.07 -0.97 -2.63 116.25 116.48 1jr5 h VAL 27 Ca -0.23 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1jr5 h VAL 27 Cb 2.07 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1jr5 h VAL 27 CO 0.26 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.23 1jr5 n GLU 28 N -2.81 1.75 -4.18 1.57 1.02 0.22 -4.67 120.64 113.55 1jr5 n GLU 28 Ca 0.01 -1.12 -0.18 0.00 -0.02 0.00 0.00 57.16 55.85 1jr5 n GLU 28 Cb 0.28 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.71 0.00 1.62 3.84 -1.11 -4.79 114.94 114.46 1jr5 s ASN 29 Ca 0.35 -0.63 -0.24 0.00 0.21 0.00 0.00 52.86 52.54 1jr5 s ASN 29 Cb 0.19 -0.05 -0.15 0.00 -0.55 0.00 0.00 41.25 40.69 1jr5 s ASN 29 CO 0.30 -0.08 1.11 0.08 -2.79 0.00 0.00 177.10 175.71 1jr5 h ARG 30 N 4.23 -0.54 -0.56 0.43 0.11 -1.86 -1.18 114.38 115.00 1jr5 h ARG 30 Ca -0.41 0.04 0.02 0.00 0.10 0.00 0.00 59.98 59.73 1jr5 h ARG 30 Cb 1.19 0.12 -0.03 0.00 1.11 0.00 0.00 29.97 32.36 1jr5 h ARG 30 CO 0.41 -0.24 0.37 0.00 0.10 0.00 0.00 179.97 180.62 1jr5 h ALA 31 N -0.61 1.68 0.80 0.08 0.00 -1.95 -0.36 119.26 118.91 1jr5 h ALA 31 Ca -0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1jr5 h ALA 31 Cb 0.56 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jr5 h ALA 31 CO 0.09 0.27 -0.39 -0.91 0.00 0.00 0.00 179.25 178.32 1jr5 h ASN 32 N 0.68 -0.91 -0.37 0.00 2.35 -1.77 0.39 115.58 115.95 1jr5 h ASN 32 Ca 0.22 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 56.08 1jr5 h ASN 32 Cb 0.04 0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 1jr5 h ASN 32 CO -0.06 -0.62 -0.09 0.15 -1.65 0.00 0.00 177.43 175.16 1jr5 h PHE 33 N -1.14 -0.19 -0.45 1.19 3.04 -0.84 0.49 116.94 119.04 1jr5 h PHE 33 Ca -0.11 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 1jr5 h PHE 33 Cb 0.83 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 1jr5 h PHE 33 CO 0.03 -0.16 0.23 0.82 -2.02 0.00 0.00 178.31 177.22 1jr5 h ILE 34 N 0.01 1.17 -0.89 1.41 2.04 -1.06 -1.55 117.51 118.63 1jr5 h ILE 34 Ca 0.18 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1jr5 h ILE 34 Cb 0.27 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1jr5 h ILE 34 CO -0.38 0.18 0.48 0.00 0.00 0.00 0.00 178.15 178.43 1jr5 h ALA 35 N 1.08 1.14 0.39 1.87 0.00 0.60 0.49 119.26 124.83 1jr5 h ALA 35 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jr5 h ALA 35 Cb 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1jr5 h ALA 35 CO -0.02 0.66 -0.38 0.35 0.00 0.00 0.00 179.25 179.85 1jr5 h PHE 36 N 1.25 -1.04 -0.31 0.00 3.57 0.42 0.53 116.94 121.36 1jr5 h PHE 36 Ca 0.31 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.86 1jr5 h PHE 36 Cb 0.04 0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1jr5 h PHE 36 CO 0.01 -0.53 0.21 -0.07 -2.23 0.00 0.00 178.31 175.70 1jr5 h LEU 37 N -0.79 0.23 -0.31 0.59 3.38 -1.09 -0.43 115.31 116.89 1jr5 h LEU 37 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jr5 h LEU 37 Cb 0.71 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1jr5 h LEU 37 CO -0.06 0.16 0.00 0.78 0.09 0.00 0.00 178.44 179.41 1jr5 h ASN 38 N 0.27 0.00 0.04 -0.43 2.35 0.37 -1.35 115.58 116.83 1jr5 h ASN 38 Ca 0.13 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.56 1jr5 h ASN 38 Cb 0.19 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 1jr5 h ASN 38 CO -0.03 0.00 -1.82 -1.84 -1.65 0.00 0.00 177.43 172.10 1jr5 n GLU 39 N -3.06 0.64 0.13 0.81 0.28 0.17 -4.30 120.64 115.32 1jr5 n GLU 39 Ca 0.03 0.38 -0.01 0.00 -0.16 0.00 0.00 57.16 57.41 1jr5 n GLU 39 Cb 0.48 -1.68 0.26 0.00 1.43 0.00 0.00 31.44 31.93 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 -0.53 1.32 0.00 3.84 -2.65 -1.49 -3.47 117.51 114.51 1jr5 h ILE 40 Ca -0.45 -1.53 0.00 0.00 1.03 0.00 0.00 64.86 63.91 1jr5 h ILE 40 Cb 1.66 1.75 0.00 0.00 -2.05 0.00 0.00 36.82 38.18 1jr5 h ILE 40 CO -0.13 0.45 0.00 0.61 0.03 0.00 0.00 178.15 179.11 1jr5 n GLY 41 N -0.21 0.88 3.55 0.16 0.00 -1.14 -5.12 105.19 103.30 1jr5 n GLY 41 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1jr5 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jr5 s VAL 42 N -1.35 4.62 0.55 1.61 0.11 -0.52 -5.06 120.40 120.36 1jr5 s VAL 42 Ca 0.00 -0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.03 1jr5 s VAL 42 Cb 0.00 -3.13 0.05 0.00 -1.53 0.00 0.00 36.38 31.78 1jr5 s VAL 42 CO 0.00 0.39 0.45 0.35 -3.33 0.00 0.00 175.10 172.95 1jr5 n THR 43 N 4.27 0.00 -0.81 5.04 -2.24 -1.26 -4.52 114.28 114.76 1jr5 n THR 43 Ca -0.16 -2.16 0.01 0.00 -2.27 0.00 0.00 64.05 59.47 1jr5 n THR 43 Cb 0.52 -0.07 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1jr5 n THR 43 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1jr5 n HIS 44 N -1.83 0.00 0.00 4.78 -0.00 -1.10 -4.78 115.22 112.29 1jr5 n HIS 44 Ca -0.00 -0.27 0.00 0.00 0.46 0.00 0.00 57.72 57.90 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 -0.95 1.57 0.28 -1.26 -4.91 120.64 115.05 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 0.48 3.23 -1.84 0.00 -1.26 -4.96 105.19 100.84 1jr5 n GLY 46 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1jr5 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jr5 s ARG 47 N -0.48 0.44 1.12 1.61 1.81 -1.26 -5.06 118.95 117.13 1jr5 s ARG 47 Ca 0.00 0.37 -0.15 0.00 -1.72 0.00 0.00 55.73 54.23 1jr5 s ARG 47 Cb 0.00 0.21 0.25 0.00 -0.45 0.00 0.00 34.95 34.96 1jr5 s ARG 47 CO 0.00 -0.07 1.07 0.15 -0.68 0.00 0.00 175.30 175.77 1jr5 s LYS 48 N -0.06 -0.58 0.00 3.54 -0.14 -1.26 -2.72 119.74 118.52 1jr5 s LYS 48 Ca -0.02 0.42 0.00 0.00 -1.36 0.00 0.00 55.97 55.01 1jr5 s LYS 48 Cb -0.03 -1.63 0.00 0.00 -1.68 0.00 0.00 37.83 34.49 1jr5 s LYS 48 CO 0.01 -3.39 0.00 1.28 -0.76 0.00 0.00 175.35 172.49 1jr5 n LEU 49 N -4.62 0.00 0.00 3.17 4.77 -1.26 -4.86 117.00 114.20 1jr5 n LEU 49 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1jr5 n LEU 49 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1jr5 n LEU 49 CO 0.54 -0.15 0.00 -0.46 -1.33 0.00 0.00 177.39 175.99 1jr5 n ASN 50 N -0.90 0.00 0.00 -1.43 0.23 -1.26 -5.00 115.26 106.90 1jr5 n ASN 50 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1jr5 n ASN 50 Cb 0.00 0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1jr5 n ASN 50 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jr5 n GLN 51 N -1.15 0.00 -0.06 -3.83 1.13 -1.26 -4.88 117.38 107.32 1jr5 n GLN 51 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 1jr5 n GLN 51 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 1jr5 n GLN 51 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1jr5 n ASN 52 N 0.00 0.24 0.00 1.08 5.15 -1.26 -4.37 115.26 116.10 1jr5 n ASN 52 Ca 0.00 0.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 1jr5 n ASN 52 Cb 0.00 0.85 0.00 0.00 -0.53 0.00 0.00 39.78 40.10 1jr5 n ASN 52 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1jr5 n SER 53 N -2.76 0.00 -0.30 1.20 2.88 -1.26 -0.75 113.62 112.63 1jr5 n SER 53 Ca -0.24 0.99 0.12 0.00 -1.33 0.00 0.00 58.87 58.41 1jr5 n SER 53 Cb 1.04 -0.49 0.30 0.00 -0.75 0.00 0.00 64.21 64.30 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 0.68 -0.86 0.66 3.57 -1.99 0.20 116.94 119.20 1jr5 h PHE 54 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1jr5 h PHE 54 Cb 0.00 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 38.51 1jr5 h PHE 54 CO -0.62 -0.01 0.52 0.00 -2.23 0.00 0.00 178.31 175.97 1jr5 h ARG 55 N 0.44 0.89 0.00 1.11 3.08 -1.47 0.31 114.38 118.75 1jr5 h ARG 55 Ca 0.55 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.42 1jr5 h ARG 55 Cb 1.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 1jr5 h ARG 55 CO -0.50 0.59 -0.59 0.87 -1.07 0.00 0.00 179.97 179.27 1jr5 h LYS 56 N 0.92 0.00 0.31 0.04 1.57 0.15 0.12 116.57 119.67 1jr5 h LYS 56 Ca 0.39 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1jr5 h LYS 56 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1jr5 h LYS 56 CO -0.20 0.59 -0.24 0.82 -0.57 0.00 0.00 179.45 179.85 1jr5 h ILE 57 N 0.00 0.48 -0.39 1.86 2.04 0.11 0.44 117.51 122.05 1jr5 h ILE 57 Ca -0.01 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 1jr5 h ILE 57 Cb 1.19 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1jr5 h ILE 57 CO 0.08 0.00 -0.38 0.58 0.00 0.00 0.00 178.15 178.42 1jr5 h VAL 58 N -0.56 1.27 -0.16 1.67 2.07 -1.12 0.77 116.25 120.19 1jr5 h VAL 58 Ca -0.02 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 65.99 1jr5 h VAL 58 Cb 0.49 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1jr5 h VAL 58 CO -0.01 0.52 0.13 -1.28 0.02 0.00 0.00 177.57 176.95 1jr5 h SER 59 N 0.77 0.00 -0.37 0.57 0.87 -0.39 0.11 113.55 115.11 1jr5 h SER 59 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1jr5 h SER 59 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1jr5 h SER 59 CO 0.10 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.78 1jr5 n GLU 60 N -4.20 2.96 -3.40 2.24 1.02 0.15 -4.97 120.64 114.44 1jr5 n GLU 60 Ca 0.01 -2.35 -0.35 0.00 -0.02 0.00 0.00 57.16 54.44 1jr5 n GLU 60 Cb 0.26 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -1.52 4.35 0.29 -4.62 1.98 0.39 -5.00 118.68 114.56 1jr5 s LEU 61 Ca 0.32 1.02 0.09 0.00 -2.89 0.00 0.00 54.13 52.66 1jr5 s LEU 61 Cb 0.20 -3.17 -0.06 0.00 0.66 0.00 0.00 46.19 43.82 1jr5 s LEU 61 CO 0.16 0.13 -0.11 0.28 -1.89 0.00 0.00 176.35 174.92 1jr5 s THR 62 N -1.42 1.98 -0.35 3.68 -1.32 -1.26 -4.95 115.64 112.00 1jr5 s THR 62 Ca 0.36 -2.21 0.20 0.00 -1.21 0.00 0.00 61.69 58.83 1jr5 s THR 62 Cb -0.15 -2.43 0.21 0.00 -1.51 0.00 0.00 72.50 68.62 1jr5 s THR 62 CO 0.19 -0.33 1.62 0.00 -2.21 0.00 0.00 174.62 173.89 1jr5 n GLN 63 N -0.62 0.14 0.05 7.08 10.64 -1.26 -1.11 117.38 132.30 1jr5 n GLN 63 Ca -0.06 0.57 -0.15 0.00 -1.83 0.00 0.00 57.00 55.53 1jr5 n GLN 63 Cb 0.62 -1.89 -0.05 0.00 -0.86 0.00 0.00 30.24 28.06 1jr5 n GLN 63 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1jr5 h GLU 64 N 0.00 0.51 -0.71 2.61 4.81 -1.99 -1.59 114.58 118.22 1jr5 h GLU 64 Ca 0.00 -0.52 0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1jr5 h GLU 64 Cb 0.09 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 1jr5 h GLU 64 CO 0.00 1.16 0.47 0.22 -0.73 0.00 0.00 179.01 180.12 1jr5 h ASP 65 N 0.30 0.82 0.89 1.04 1.82 -1.52 0.42 116.42 120.19 1jr5 h ASP 65 Ca -0.08 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.49 1jr5 h ASP 65 Cb 1.57 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 41.38 1jr5 h ASP 65 CO 0.17 0.60 -0.43 0.50 -1.61 0.00 0.00 179.24 178.47 1jr5 h LYS 66 N 0.97 -1.16 -1.01 0.28 3.64 -1.36 0.34 116.57 118.28 1jr5 h LYS 66 Ca 0.26 0.08 0.22 0.00 -1.27 0.00 0.00 60.65 59.94 1jr5 h LYS 66 Cb -0.10 0.26 -0.12 0.00 -0.41 0.00 0.00 32.23 31.87 1jr5 h LYS 66 CO -0.06 -0.77 0.60 0.87 -2.27 0.00 0.00 179.45 177.83 1jr5 h LYS 67 N -1.24 0.64 0.00 1.90 1.79 -0.74 1.01 116.57 119.93 1jr5 h LYS 67 Ca -0.12 -0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.21 1jr5 h LYS 67 Cb 0.92 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1jr5 h LYS 67 CO 0.20 0.42 -0.47 1.15 -1.08 0.00 0.00 179.45 179.68 1jr5 h THR 68 N 0.66 1.19 0.00 -0.16 2.02 -0.58 0.12 112.91 116.16 1jr5 h THR 68 Ca 0.62 -1.69 -0.18 0.00 0.77 0.00 0.00 66.41 65.93 1jr5 h THR 68 Cb 1.09 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.42 1jr5 h THR 68 CO -0.43 0.46 -0.86 -0.07 0.37 0.00 0.00 175.52 174.99 1jr5 h LEU 69 N 0.00 0.00 -0.07 2.58 3.38 0.48 -3.19 115.31 118.49 1jr5 h LEU 69 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1jr5 h LEU 69 Cb 0.91 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 1jr5 h LEU 69 CO 0.06 0.86 -0.96 0.40 0.09 0.00 0.00 178.44 178.89 1jr5 h ILE 70 N 0.00 1.68 -0.95 1.22 2.04 0.85 0.90 117.51 123.25 1jr5 h ILE 70 Ca -0.01 -3.30 0.23 0.00 1.00 0.00 0.00 64.86 62.78 1jr5 h ILE 70 Cb 1.64 2.78 -0.07 0.00 -0.74 0.00 0.00 36.82 40.43 1jr5 h ILE 70 CO 0.11 0.94 0.63 -0.78 0.00 0.00 0.00 178.15 179.05 1jr5 h ASP 71 N 0.00 0.40 0.00 1.72 3.58 -0.76 0.84 116.42 122.20 1jr5 h ASP 71 Ca -0.01 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.38 1jr5 h ASP 71 Cb 1.70 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.72 1jr5 h ASP 71 CO 0.12 0.14 -1.17 -0.62 -2.88 0.00 0.00 179.24 174.83 1jr5 n GLU 72 N -4.53 0.52 -1.99 0.28 4.71 -1.19 -4.56 120.64 113.88 1jr5 n GLU 72 Ca 0.21 0.35 -0.40 0.00 -0.01 0.00 0.00 57.16 57.31 1jr5 n GLU 72 Cb 0.77 -1.55 -0.00 0.00 -1.01 0.00 0.00 31.44 29.64 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 -4.46 2.62 -0.37 -0.32 3.72 0.31 -4.82 117.46 114.13 1jr5 n PHE 73 Ca -0.22 -2.83 0.04 0.00 -0.05 0.00 0.00 57.45 54.39 1jr5 n PHE 73 Cb 0.53 -1.87 0.11 0.00 -0.94 0.00 0.00 39.48 37.32 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 1.97 -0.44 -0.32 4.37 3.02 0.29 -3.20 115.26 120.96 1jr5 n ASN 74 Ca 0.61 1.73 0.00 0.00 -0.03 0.00 0.00 54.58 56.89 1jr5 n ASN 74 Cb 0.25 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 -5.59 0.01 -0.31 3.52 0.28 -1.26 -4.84 120.64 112.46 1jr5 n GLU 75 Ca 0.14 -0.82 0.09 0.00 -0.16 0.00 0.00 57.16 56.41 1jr5 n GLU 75 Cb 0.47 -0.50 0.26 0.00 1.43 0.00 0.00 31.44 33.10 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 -0.01 2.62 0.00 -1.84 0.00 -1.19 -4.44 105.19 100.33 1jr5 n GLY 76 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1jr5 n GLY 76 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1jr5 n PHE 77 N 1.21 0.00 0.95 1.61 -1.74 -1.25 -4.76 117.46 113.47 1jr5 n PHE 77 Ca 0.20 -0.07 0.10 0.00 -0.56 0.00 0.00 57.45 57.12 1jr5 n PHE 77 Cb 0.56 -0.01 0.50 0.00 1.52 0.00 0.00 39.48 42.06 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 -0.07 0.29 -0.22 3.97 2.13 -1.26 -1.85 120.64 123.62 1jr5 n GLU 78 Ca 0.00 0.10 0.06 0.00 0.66 0.00 0.00 57.16 57.98 1jr5 n GLU 78 Cb 0.25 -1.50 0.09 0.00 0.27 0.00 0.00 31.44 30.55 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 0.42 3.29 0.79 8.31 0.00 -1.26 -4.41 105.19 112.32 1jr5 n GLY 79 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.92 0.00 0.16 1.61 3.14 -1.10 -4.05 118.33 117.18 1jr5 n VAL 80 Ca 0.10 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.49 1jr5 n VAL 80 Cb 0.66 -0.72 0.28 0.00 -1.06 0.00 0.00 33.84 32.99 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 0.08 1.45 3.20 -1.66 -0.02 116.97 120.02 1jr5 h TYR 81 Ca 0.00 0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.56 1jr5 h TYR 81 Cb 0.57 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 1jr5 h TYR 81 CO 0.00 0.48 -1.69 0.00 -1.64 0.00 0.00 178.16 175.31 1jr5 h ARG 82 N 0.00 0.17 -0.60 1.82 2.47 -1.77 -3.36 114.38 113.11 1jr5 h ARG 82 Ca -0.00 -0.30 -0.09 0.00 -1.26 0.00 0.00 59.98 58.33 1jr5 h ARG 82 Cb 0.86 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.26 1jr5 h ARG 82 CO 0.06 0.96 0.04 1.88 0.56 0.00 0.00 179.97 183.47 1jr5 h TYR 83 N 0.05 1.12 -0.11 3.04 -1.99 -1.65 -2.35 116.97 115.08 1jr5 h TYR 83 Ca -0.30 -0.18 0.03 0.00 2.00 0.00 0.00 58.73 60.29 1jr5 h TYR 83 Cb 2.01 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 40.44 1jr5 h TYR 83 CO 0.05 0.98 0.09 1.37 -0.00 0.00 0.00 178.16 180.65 1jr5 h LEU 84 N 0.94 0.00 0.07 3.88 8.10 -1.15 -1.72 115.31 125.43 1jr5 h LEU 84 Ca 0.18 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.16 1jr5 h LEU 84 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.73 1jr5 h LEU 84 CO 0.02 0.00 -0.03 -0.08 -4.11 0.00 0.00 178.44 174.24 1jr5 h GLU 85 N 0.00 -0.09 -0.86 0.17 4.81 -1.51 0.87 114.58 117.97 1jr5 h GLU 85 Ca 0.05 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.46 1jr5 h GLU 85 Cb 0.24 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1jr5 h GLU 85 CO -0.00 0.46 0.56 0.52 -0.73 0.00 0.00 179.01 179.82 1jr5 h MET 86 N -0.91 0.47 0.03 1.92 2.86 -1.14 0.15 114.93 118.31 1jr5 h MET 86 Ca -0.01 -0.03 -0.30 0.00 -2.06 0.00 0.00 59.70 57.30 1jr5 h MET 86 Cb 0.59 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1jr5 h MET 86 CO 0.02 0.31 -1.74 1.88 1.06 0.00 0.00 176.91 178.44 1jr5 h TYR 87 N 0.48 0.11 -1.79 -0.22 0.05 -1.39 -3.44 116.97 110.77 1jr5 h TYR 87 Ca 0.44 -0.08 -0.31 0.00 0.05 0.00 0.00 58.73 58.83 1jr5 h TYR 87 Cb 0.96 -0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.41 1jr5 h TYR 87 CO -0.00 1.16 -0.64 0.95 -1.05 0.00 0.00 178.16 178.58 1jr5 s THR 88 N -2.59 -0.46 -0.03 -2.88 -4.23 0.30 -3.93 115.64 101.82 1jr5 s THR 88 Ca -0.08 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1jr5 s THR 88 Cb 0.08 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 1jr5 s THR 88 CO 0.82 -0.47 0.05 0.21 -0.54 0.00 0.00 174.62 174.68 1jr5 s ASN 89 N 1.60 5.49 0.00 3.99 3.04 0.35 -3.69 114.94 125.73 1jr5 s ASN 89 Ca 0.16 0.13 0.28 0.00 0.04 0.00 0.00 52.86 53.47 1jr5 s ASN 89 Cb -0.13 -1.55 1.05 0.00 -1.54 0.00 0.00 41.25 39.08 1jr5 s ASN 89 CO -0.07 0.30 1.74 2.29 -3.04 0.00 0.00 177.10 178.33