#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj4 n GLU 5 N 0.00 -2.47 -4.20 -0.52 0.00 -1.26 -5.03 120.64 107.16 1sj4 n GLU 5 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 57.16 56.16 1sj4 n GLU 5 Cb 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 31.44 29.55 1sj4 n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1sj4 s THR 6 N -2.23 3.61 0.50 3.84 2.01 -1.26 -5.13 115.64 116.99 1sj4 s THR 6 Ca 0.58 -1.30 -0.15 0.00 0.31 0.00 0.00 61.69 61.12 1sj4 s THR 6 Cb -0.14 -2.75 -0.08 0.00 0.01 0.00 0.00 72.50 69.54 1sj4 s THR 6 CO 0.59 0.02 0.95 -0.13 -0.69 0.00 0.00 174.62 175.36 1sj4 s ARG 7 N -2.54 3.91 0.34 4.92 1.81 -1.26 -4.89 118.95 121.24 1sj4 s ARG 7 Ca 0.25 0.86 -0.26 0.00 -1.72 0.00 0.00 55.73 54.86 1sj4 s ARG 7 Cb -0.10 -2.18 -0.13 0.00 -0.45 0.00 0.00 34.95 32.08 1sj4 s ARG 7 CO 0.16 -0.24 0.82 -2.30 -0.68 0.00 0.00 175.30 173.07 1sj4 n PRO 8 N -1.56 0.97 -3.95 3.54 -0.02 -1.26 -4.76 135.00 127.96 1sj4 n PRO 8 Ca 0.06 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.80 1sj4 n PRO 8 Cb 0.54 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 32.25 1sj4 n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1sj4 s ASN 9 N -0.76 0.22 0.34 2.55 3.84 -1.26 -5.00 114.94 114.86 1sj4 s ASN 9 Ca 0.61 -0.80 0.12 0.00 0.21 0.00 0.00 52.86 53.00 1sj4 s ASN 9 Cb -0.67 0.31 0.59 0.00 -0.55 0.00 0.00 41.25 40.93 1sj4 s ASN 9 CO 0.58 -0.71 1.75 0.45 -2.79 0.00 0.00 177.10 176.39 1sj4 h HIS 10 N 2.84 0.02 -3.29 0.43 3.86 -1.89 -3.43 115.15 113.69 1sj4 h HIS 10 Ca -0.34 -0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.24 1sj4 h HIS 10 Cb 1.19 -0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.46 1sj4 h HIS 10 CO 0.45 0.46 -0.62 0.99 0.86 0.00 0.00 177.93 180.07 1sj4 s THR 11 N -4.01 4.30 0.01 2.45 2.01 -1.26 -1.00 115.64 118.13 1sj4 s THR 11 Ca -0.02 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 1sj4 s THR 11 Cb 0.14 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1sj4 s THR 11 CO 0.74 0.48 0.20 0.27 -0.69 0.00 0.00 174.62 175.62 1sj4 s ILE 12 N 0.35 5.40 -0.23 1.82 -4.36 0.02 -0.43 121.20 123.77 1sj4 s ILE 12 Ca -0.01 -0.17 -0.05 0.00 -0.26 0.00 0.00 60.65 60.17 1sj4 s ILE 12 Cb -0.13 -3.56 -0.01 0.00 1.25 0.00 0.00 42.46 40.00 1sj4 s ILE 12 CO 0.02 0.28 -0.02 -0.47 0.24 0.00 0.00 174.94 174.99 1sj4 s TYR 13 N -1.37 2.98 -0.07 1.37 6.14 0.15 -1.27 117.35 125.28 1sj4 s TYR 13 Ca 0.29 -0.84 0.01 0.00 0.64 0.00 0.00 57.07 57.17 1sj4 s TYR 13 Cb -0.13 -2.13 -0.03 0.00 0.42 0.00 0.00 41.96 40.09 1sj4 s TYR 13 CO 0.21 -0.51 -0.07 0.42 0.64 0.00 0.00 175.55 176.23 1sj4 s ILE 14 N 1.51 3.69 0.18 3.14 1.01 -0.12 -0.75 121.20 129.86 1sj4 s ILE 14 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1sj4 s ILE 14 Cb -0.14 -2.51 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 1sj4 s ILE 14 CO -0.02 0.60 0.20 -0.46 0.00 0.00 0.00 174.94 175.26 1sj4 n ASN 15 N 2.27 -0.54 -1.63 3.58 6.94 -0.12 -0.47 115.26 125.30 1sj4 n ASN 15 Ca -0.18 -2.09 -0.14 0.00 -0.02 0.00 0.00 54.58 52.16 1sj4 n ASN 15 Cb 0.53 1.10 -0.00 0.00 -2.36 0.00 0.00 39.78 39.05 1sj4 n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1sj4 n ASN 16 N -2.10 -4.27 -4.87 0.53 4.05 -0.92 -2.26 115.26 105.41 1sj4 n ASN 16 Ca 0.02 -0.04 -0.31 0.00 0.45 0.00 0.00 54.58 54.71 1sj4 n ASN 16 Cb 0.32 -3.41 -0.04 0.00 1.23 0.00 0.00 39.78 37.88 1sj4 n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1sj4 s LEU 17 N -4.02 3.88 -0.03 1.20 1.43 -0.26 -4.62 118.68 116.26 1sj4 s LEU 17 Ca 0.03 1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.97 1sj4 s LEU 17 Cb -0.01 -4.01 -0.07 0.00 0.03 0.00 0.00 46.19 42.13 1sj4 s LEU 17 CO 0.03 -0.36 1.83 0.21 0.23 0.00 0.00 176.35 178.29 1sj4 s ASN 18 N -3.01 6.49 0.00 2.29 3.84 -1.26 -4.52 114.94 118.76 1sj4 s ASN 18 Ca 0.51 2.39 0.27 0.00 0.21 0.00 0.00 52.86 56.24 1sj4 s ASN 18 Cb -0.10 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.23 1sj4 s ASN 18 CO 0.29 -1.06 1.87 -0.62 -2.79 0.00 0.00 177.10 174.79 1sj4 n GLU 19 N 7.44 0.02 -0.04 0.43 1.02 -1.26 -3.37 120.64 124.87 1sj4 n GLU 19 Ca 0.19 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.46 1sj4 n GLU 19 Cb 0.42 -1.50 0.44 0.00 -0.02 0.00 0.00 31.44 30.78 1sj4 n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1sj4 n LYS 20 N -1.49 1.39 -3.40 3.49 5.02 -1.26 -4.83 118.16 117.08 1sj4 n LYS 20 Ca 0.07 -0.58 -0.38 0.00 -2.02 0.00 0.00 58.31 55.39 1sj4 n LYS 20 Cb 0.31 -1.33 -0.08 0.00 -0.02 0.00 0.00 35.03 33.91 1sj4 n LYS 20 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sj4 s ILE 21 N -1.88 5.20 0.56 -0.18 -1.09 -1.22 -5.06 121.20 117.54 1sj4 s ILE 21 Ca 0.29 0.67 -0.21 0.00 -2.23 0.00 0.00 60.65 59.17 1sj4 s ILE 21 Cb 0.15 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 1sj4 s ILE 21 CO 0.23 0.24 1.34 0.29 -1.23 0.00 0.00 174.94 175.81 1sj4 n LYS 22 N 4.58 1.59 -0.26 2.79 5.02 -1.26 -4.72 118.16 125.90 1sj4 n LYS 22 Ca -0.09 0.59 0.06 0.00 -2.02 0.00 0.00 58.31 56.86 1sj4 n LYS 22 Cb 0.51 -2.56 0.18 0.00 -0.02 0.00 0.00 35.03 33.15 1sj4 n LYS 22 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1sj4 h LYS 23 N 1.28 0.15 -0.54 1.97 3.64 -1.97 -0.98 116.57 120.13 1sj4 h LYS 23 Ca -0.51 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.81 1sj4 h LYS 23 Cb 1.31 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 1sj4 h LYS 23 CO 0.56 0.10 0.14 0.22 -2.27 0.00 0.00 179.45 178.20 1sj4 h ASP 24 N 0.16 0.82 -0.28 4.20 3.58 -1.98 -2.56 116.42 120.35 1sj4 h ASP 24 Ca 0.43 -0.23 -0.13 0.00 0.42 0.00 0.00 57.03 57.53 1sj4 h ASP 24 Cb 0.78 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 1sj4 h ASP 24 CO -0.62 0.83 -0.32 -0.08 -2.88 0.00 0.00 179.24 176.17 1sj4 h GLU 25 N 0.76 0.72 -0.14 0.28 4.81 -1.64 -2.48 114.58 116.88 1sj4 h GLU 25 Ca 0.17 -0.39 0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1sj4 h GLU 25 Cb 0.33 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1sj4 h GLU 25 CO 0.00 1.01 -0.05 1.25 -0.73 0.00 0.00 179.01 180.49 1sj4 h LEU 26 N 0.46 -0.17 -0.94 1.64 5.85 -1.16 0.16 115.31 121.15 1sj4 h LEU 26 Ca 0.04 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1sj4 h LEU 26 Cb 0.90 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 1sj4 h LEU 26 CO 0.08 -0.06 0.59 0.11 -0.34 0.00 0.00 178.44 178.82 1sj4 h LYS 27 N -0.02 1.02 0.69 1.25 1.57 -1.46 0.25 116.57 119.87 1sj4 h LYS 27 Ca 0.07 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1sj4 h LYS 27 Cb 0.13 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.22 1sj4 h LYS 27 CO -0.16 0.68 -0.33 0.87 -0.57 0.00 0.00 179.45 179.94 1sj4 h LYS 28 N 1.05 -0.89 -0.68 3.15 1.79 -0.77 -1.86 116.57 118.36 1sj4 h LYS 28 Ca 0.42 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.95 1sj4 h LYS 28 Cb 0.22 0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 1sj4 h LYS 28 CO -0.19 -0.57 0.44 0.77 -1.08 0.00 0.00 179.45 178.83 1sj4 h SER 29 N -1.05 0.79 -0.14 0.86 0.02 -0.43 -0.91 113.55 112.70 1sj4 h SER 29 Ca -0.09 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1sj4 h SER 29 Cb 0.74 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1sj4 h SER 29 CO 0.16 0.58 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.24 1sj4 h LEU 30 N 0.93 0.47 -0.50 5.07 3.38 -0.42 -1.52 115.31 122.72 1sj4 h LEU 30 Ca 0.25 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1sj4 h LEU 30 Cb -0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1sj4 h LEU 30 CO -0.05 0.62 -0.67 -0.74 0.09 0.00 0.00 178.44 177.70 1sj4 h HIS 31 N 0.46 0.47 -0.98 1.13 2.76 -0.68 -0.89 115.15 117.42 1sj4 h HIS 31 Ca 0.09 -0.19 0.10 0.00 -2.20 0.00 0.00 60.37 58.16 1sj4 h HIS 31 Cb 0.48 -0.08 -0.08 0.00 1.55 0.00 0.00 27.41 29.28 1sj4 h HIS 31 CO 0.02 0.91 0.61 0.00 -1.30 0.00 0.00 177.93 178.17 1sj4 h ALA 32 N 1.04 1.42 0.00 5.26 0.00 -0.14 -1.73 119.26 125.12 1sj4 h ALA 32 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sj4 h ALA 32 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1sj4 h ALA 32 CO 0.11 0.27 -1.71 0.44 0.00 0.00 0.00 179.25 178.37 1sj4 n ILE 33 N -4.60 0.01 0.83 0.00 -5.35 -1.05 -4.50 119.36 104.71 1sj4 n ILE 33 Ca 0.17 -0.37 0.09 0.00 -0.27 0.00 0.00 62.75 62.37 1sj4 n ILE 33 Cb 0.29 0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 38.39 1sj4 n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1sj4 n PHE 34 N -2.06 0.00 0.27 4.28 3.72 -0.35 -4.47 117.46 118.85 1sj4 n PHE 34 Ca -0.02 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.54 1sj4 n PHE 34 Cb 0.50 0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.71 1sj4 n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1sj4 h SER 35 N 0.78 0.00 0.46 4.37 4.64 -1.54 -2.95 113.55 119.31 1sj4 h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sj4 h SER 35 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1sj4 h SER 35 CO 0.00 0.06 0.00 -2.11 -0.87 0.00 0.00 176.83 173.91 1sj4 n ARG 36 N -3.21 0.27 0.00 4.77 -4.01 -1.26 -2.90 116.66 110.33 1sj4 n ARG 36 Ca 0.00 0.08 0.12 0.00 -1.04 0.00 0.00 57.85 57.01 1sj4 n ARG 36 Cb 0.32 -1.50 0.16 0.00 -3.04 0.00 0.00 32.46 28.39 1sj4 n ARG 36 CO 0.00 0.00 0.00 1.19 -3.04 0.00 0.00 177.63 175.78 1sj4 n PHE 37 N -1.31 0.00 0.00 2.89 3.72 -1.12 -5.05 117.46 116.60 1sj4 n PHE 37 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1sj4 n PHE 37 Cb 0.19 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1sj4 n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sj4 n GLY 38 N 1.41 2.14 3.77 1.37 0.00 -1.14 -4.29 105.19 108.45 1sj4 n GLY 38 Ca 0.09 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1sj4 n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sj4 n GLN 39 N -1.90 2.71 -4.25 1.61 7.27 -1.26 -4.67 117.38 116.88 1sj4 n GLN 39 Ca 0.00 0.95 -0.34 0.00 0.07 0.00 0.00 57.00 57.68 1sj4 n GLN 39 Cb 0.00 -2.71 -0.13 0.00 2.41 0.00 0.00 30.24 29.81 1sj4 n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1sj4 s ILE 40 N -0.77 3.54 0.06 1.69 1.01 -1.26 -1.85 121.20 123.62 1sj4 s ILE 40 Ca 0.56 -0.46 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 1sj4 s ILE 40 Cb -0.48 -2.57 -0.30 0.00 0.01 0.00 0.00 42.46 39.13 1sj4 s ILE 40 CO 0.59 0.46 1.10 -0.07 0.00 0.00 0.00 174.94 177.02 1sj4 h LEU 41 N 7.34 0.49 -7.01 2.97 3.38 -0.37 -3.48 115.31 118.63 1sj4 h LEU 41 Ca -0.34 -0.54 0.26 0.00 0.09 0.00 0.00 57.88 57.35 1sj4 h LEU 41 Cb 1.18 -0.16 -0.19 0.00 0.09 0.00 0.00 40.66 41.59 1sj4 h LEU 41 CO 0.60 1.42 0.82 -0.62 0.09 0.00 0.00 178.44 180.75 1sj4 s ASP 42 N -7.21 -0.13 -0.13 -0.43 2.15 -1.18 -5.03 116.67 104.71 1sj4 s ASP 42 Ca -0.05 -0.01 -0.00 0.00 0.43 0.00 0.00 52.55 52.92 1sj4 s ASP 42 Cb 0.07 0.14 0.03 0.00 -0.30 0.00 0.00 42.92 42.85 1sj4 s ASP 42 CO 0.89 -0.23 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.96 1sj4 s ILE 43 N -2.41 1.10 -0.16 4.11 1.01 -1.26 -0.13 121.20 123.46 1sj4 s ILE 43 Ca 0.10 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 1sj4 s ILE 43 Cb -0.01 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1sj4 s ILE 43 CO -0.05 0.31 0.09 -0.76 0.00 0.00 0.00 174.94 174.53 1sj4 s LEU 44 N 1.67 4.02 -0.08 2.97 1.02 -0.37 -4.95 118.68 122.96 1sj4 s LEU 44 Ca 0.04 0.21 -0.06 0.00 0.02 0.00 0.00 54.13 54.34 1sj4 s LEU 44 Cb -0.13 -2.00 0.03 0.00 0.02 0.00 0.00 46.19 44.10 1sj4 s LEU 44 CO -0.08 0.25 0.20 -0.69 0.02 0.00 0.00 176.35 176.05 1sj4 s VAL 45 N -0.08 -0.02 0.02 -1.59 1.01 -1.26 -1.37 120.40 117.11 1sj4 s VAL 45 Ca 0.08 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1sj4 s VAL 45 Cb -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1sj4 s VAL 45 CO 0.01 0.03 -0.09 -0.55 0.00 0.00 0.00 175.10 174.50 1sj4 s SER 46 N 0.58 0.99 -0.12 3.32 0.15 -1.26 -5.04 113.70 112.31 1sj4 s SER 46 Ca -0.04 -0.33 0.17 0.00 0.70 0.00 0.00 55.95 56.45 1sj4 s SER 46 Cb -0.05 -0.05 0.65 0.00 -1.71 0.00 0.00 66.02 64.86 1sj4 s SER 46 CO -0.03 -0.02 1.57 0.54 1.20 0.00 0.00 173.24 176.49 1sj4 n ARG 47 N 2.23 3.64 -0.98 5.44 5.12 -1.26 -3.20 116.66 127.65 1sj4 n ARG 47 Ca -0.17 -2.82 -0.30 0.00 -1.93 0.00 0.00 57.85 52.64 1sj4 n ARG 47 Cb 0.56 -1.85 0.17 0.00 -1.16 0.00 0.00 32.46 30.18 1sj4 n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1sj4 s SER 48 N -1.09 2.83 0.33 0.55 1.04 -1.26 -4.54 113.70 111.56 1sj4 s SER 48 Ca 0.47 1.60 0.08 0.00 0.48 0.00 0.00 55.95 58.57 1sj4 s SER 48 Cb 0.32 -2.25 0.78 0.00 0.10 0.00 0.00 66.02 64.96 1sj4 s SER 48 CO 0.20 -3.06 1.83 0.25 0.98 0.00 0.00 173.24 173.44 1sj4 h LEU 49 N -1.84 0.72 0.10 2.42 5.85 -1.98 -0.78 115.31 119.80 1sj4 h LEU 49 Ca -0.51 0.06 -0.29 0.00 0.84 0.00 0.00 57.88 57.98 1sj4 h LEU 49 Cb 1.29 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1sj4 h LEU 49 CO 0.52 0.32 -1.46 0.50 -0.34 0.00 0.00 178.44 177.98 1sj4 h LYS 50 N 0.73 0.21 -0.00 1.25 3.64 -1.97 -3.39 116.57 117.05 1sj4 h LYS 50 Ca 0.51 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1sj4 h LYS 50 Cb 0.81 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1sj4 h LYS 50 CO -0.27 1.08 -0.80 -1.33 -2.27 0.00 0.00 179.45 175.85 1sj4 n MET 51 N -3.43 0.31 -0.96 1.90 2.81 -1.07 -5.01 117.12 111.67 1sj4 n MET 51 Ca -0.14 -0.25 -0.33 0.00 -1.81 0.00 0.00 57.70 55.18 1sj4 n MET 51 Cb 1.03 -1.49 0.14 0.00 -0.71 0.00 0.00 33.22 32.19 1sj4 n MET 51 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 1sj4 n ARG 52 N -1.13 -0.03 -0.66 0.03 1.85 -0.32 -2.75 116.66 113.65 1sj4 n ARG 52 Ca 0.06 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1sj4 n ARG 52 Cb 0.36 -2.41 0.00 0.00 -1.05 0.00 0.00 32.46 29.37 1sj4 n ARG 52 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1sj4 n GLY 53 N 0.48 1.01 3.40 2.89 0.00 -1.26 -4.96 105.19 106.76 1sj4 n GLY 53 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1sj4 n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sj4 s GLN 54 N -0.23 1.49 0.04 1.61 -0.21 -1.11 -1.11 119.66 120.14 1sj4 s GLN 54 Ca 0.00 -1.66 -0.18 0.00 0.02 0.00 0.00 55.36 53.54 1sj4 s GLN 54 Cb 0.00 -1.44 0.04 0.00 1.00 0.00 0.00 33.01 32.60 1sj4 s GLN 54 CO 0.00 0.26 0.41 0.00 -2.12 0.00 0.00 175.29 173.84 1sj4 s ALA 55 N -2.68 -0.99 -0.28 6.09 0.00 0.38 -4.58 121.76 119.71 1sj4 s ALA 55 Ca 0.25 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1sj4 s ALA 55 Cb -0.03 0.33 0.06 0.00 0.00 0.00 0.00 23.12 23.48 1sj4 s ALA 55 CO 0.11 -0.45 -0.07 -0.06 0.00 0.00 0.00 175.76 175.29 1sj4 s PHE 56 N -2.42 3.31 -0.21 0.00 0.40 -0.47 -0.94 117.98 117.65 1sj4 s PHE 56 Ca -0.06 -2.29 -0.17 0.00 -0.60 0.00 0.00 56.93 53.81 1sj4 s PHE 56 Cb -0.01 -2.07 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1sj4 s PHE 56 CO -0.02 -0.87 0.44 0.08 0.70 0.00 0.00 175.22 175.55 1sj4 s VAL 57 N 1.12 5.16 -0.41 -0.44 1.01 -0.40 -1.23 120.40 125.21 1sj4 s VAL 57 Ca -0.06 0.79 -0.10 0.00 0.00 0.00 0.00 61.98 62.60 1sj4 s VAL 57 Cb -0.20 -3.77 0.06 0.00 0.00 0.00 0.00 36.38 32.47 1sj4 s VAL 57 CO -0.04 0.21 0.25 -0.63 0.00 0.00 0.00 175.10 174.89 1sj4 s ILE 58 N 1.53 4.42 0.30 2.22 1.01 0.82 -0.80 121.20 130.70 1sj4 s ILE 58 Ca 0.20 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 1sj4 s ILE 58 Cb -0.15 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 1sj4 s ILE 58 CO 0.09 -0.41 0.65 -0.36 0.00 0.00 0.00 174.94 174.90 1sj4 s PHE 59 N 1.49 3.42 0.10 3.97 0.08 -0.17 0.38 117.98 127.24 1sj4 s PHE 59 Ca 0.02 1.00 -0.14 0.00 0.12 0.00 0.00 56.93 57.93 1sj4 s PHE 59 Cb -0.22 -2.37 -0.09 0.00 -0.57 0.00 0.00 43.02 39.77 1sj4 s PHE 59 CO 0.04 0.14 1.40 -0.22 -0.10 0.00 0.00 175.22 176.48 1sj4 h LYS 60 N 2.15 0.72 -5.48 0.44 3.64 -1.64 -3.43 116.57 112.97 1sj4 h LYS 60 Ca -0.47 -0.41 -0.67 0.00 -1.27 0.00 0.00 60.65 57.82 1sj4 h LYS 60 Cb 1.18 0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 32.73 1sj4 h LYS 60 CO 0.67 1.03 -0.82 -1.21 -2.27 0.00 0.00 179.45 176.85 1sj4 s GLU 61 N -4.25 3.12 0.46 1.90 2.02 -1.26 -5.02 118.70 115.67 1sj4 s GLU 61 Ca -0.12 -0.77 0.27 0.00 0.02 0.00 0.00 54.97 54.36 1sj4 s GLU 61 Cb 0.09 -2.45 1.31 0.00 0.10 0.00 0.00 34.13 33.18 1sj4 s GLU 61 CO 0.84 0.25 1.78 0.28 0.02 0.00 0.00 175.26 178.44 1sj4 h VAL 62 N 5.39 0.46 -0.79 2.63 2.07 -1.85 0.08 116.25 124.25 1sj4 h VAL 62 Ca -0.26 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1sj4 h VAL 62 Cb 1.21 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1sj4 h VAL 62 CO 0.51 0.04 0.44 0.77 0.02 0.00 0.00 177.57 179.35 1sj4 h SER 63 N 0.20 0.96 0.22 0.57 4.64 -1.95 -0.02 113.55 118.18 1sj4 h SER 63 Ca 0.58 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.82 1sj4 h SER 63 Cb 1.86 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 1sj4 h SER 63 CO -0.17 0.76 -0.11 0.28 -0.87 0.00 0.00 176.83 176.72 1sj4 h SER 64 N 1.09 -0.25 -0.23 4.97 0.02 -1.16 0.31 113.55 118.29 1sj4 h SER 64 Ca 0.28 -0.08 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 1sj4 h SER 64 Cb 0.00 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 1sj4 h SER 64 CO -0.05 -0.08 -0.27 0.00 -1.14 0.00 0.00 176.83 175.29 1sj4 h ALA 65 N 0.34 -0.19 -0.30 3.77 0.00 -1.37 0.13 119.26 121.65 1sj4 h ALA 65 Ca -0.03 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1sj4 h ALA 65 Cb 0.31 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1sj4 h ALA 65 CO 0.05 -0.70 -0.17 1.15 0.00 0.00 0.00 179.25 179.58 1sj4 h THR 66 N -0.28 0.50 0.02 0.00 2.02 -0.73 0.29 112.91 114.74 1sj4 h THR 66 Ca 0.13 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1sj4 h THR 66 Cb 0.49 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 1sj4 h THR 66 CO -0.39 0.00 -0.15 0.78 0.37 0.00 0.00 175.52 176.13 1sj4 h ASN 67 N -0.14 -0.42 -0.46 4.18 4.21 0.27 -1.20 115.58 122.02 1sj4 h ASN 67 Ca 0.16 0.06 0.09 0.00 1.21 0.00 0.00 56.30 57.82 1sj4 h ASN 67 Cb 0.37 0.17 -0.08 0.00 -1.12 0.00 0.00 38.32 37.67 1sj4 h ASN 67 CO -0.38 -0.21 -0.02 0.00 -1.29 0.00 0.00 177.43 175.53 1sj4 h ALA 68 N 0.67 0.41 -0.28 -0.83 0.00 -0.05 0.27 119.26 119.46 1sj4 h ALA 68 Ca 0.04 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1sj4 h ALA 68 Cb 0.31 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1sj4 h ALA 68 CO -0.13 -0.40 0.06 1.25 0.00 0.00 0.00 179.25 180.03 1sj4 h LEU 69 N 0.09 0.02 -0.30 0.00 5.85 0.03 -0.13 115.31 120.88 1sj4 h LEU 69 Ca 0.23 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 1sj4 h LEU 69 Cb 0.35 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1sj4 h LEU 69 CO -0.40 0.05 -0.34 0.03 -0.34 0.00 0.00 178.44 177.44 1sj4 h ARG 70 N 0.16 0.75 -0.01 1.25 3.08 -0.50 -3.07 114.38 116.05 1sj4 h ARG 70 Ca 0.13 -0.41 -0.17 0.00 0.07 0.00 0.00 59.98 59.60 1sj4 h ARG 70 Cb 0.13 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1sj4 h ARG 70 CO -0.16 1.04 -0.76 0.77 -1.07 0.00 0.00 179.97 179.78 1sj4 h SER 71 N 0.51 0.14 -0.39 7.04 0.02 -0.34 -3.35 113.55 117.18 1sj4 h SER 71 Ca 0.04 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1sj4 h SER 71 Cb 0.92 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1sj4 h SER 71 CO 0.08 0.85 0.00 0.23 -1.14 0.00 0.00 176.83 176.85 1sj4 n MET 72 N -3.70 2.53 -1.86 3.45 2.81 -0.07 -4.94 117.12 115.34 1sj4 n MET 72 Ca -0.02 -2.09 -0.42 0.00 -1.81 0.00 0.00 57.70 53.36 1sj4 n MET 72 Cb 0.73 -1.34 -0.03 0.00 -0.71 0.00 0.00 33.22 31.87 1sj4 n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1sj4 s GLN 73 N -1.04 4.18 0.00 0.03 2.00 -1.16 -2.00 119.66 121.67 1sj4 s GLN 73 Ca 0.28 2.46 0.00 0.00 -2.00 0.00 0.00 55.36 56.10 1sj4 s GLN 73 Cb 0.15 -3.11 0.00 0.00 0.80 0.00 0.00 33.01 30.85 1sj4 s GLN 73 CO 0.20 -0.64 0.00 0.41 -0.50 0.00 0.00 175.29 174.76 1sj4 n GLY 74 N 3.55 0.46 3.69 2.59 0.00 0.85 -4.98 105.19 111.35 1sj4 n GLY 74 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1sj4 n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sj4 s PHE 75 N -2.05 2.83 -0.05 1.61 5.36 -0.85 -4.40 117.98 120.42 1sj4 s PHE 75 Ca 0.00 0.72 -0.30 0.00 -0.96 0.00 0.00 56.93 56.40 1sj4 s PHE 75 Cb 0.00 -3.74 -0.06 0.00 -0.34 0.00 0.00 43.02 38.88 1sj4 s PHE 75 CO 0.00 -2.78 1.72 -2.14 -1.46 0.00 0.00 175.22 170.56 1sj4 s PRO 76 N 2.20 4.13 -0.04 10.12 0.02 -1.26 -1.32 135.00 148.84 1sj4 s PRO 76 Ca 0.66 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.89 1sj4 s PRO 76 Cb -0.35 -4.03 0.03 0.00 0.02 0.00 0.00 34.50 30.18 1sj4 s PRO 76 CO 0.29 -0.92 0.05 0.12 -0.33 0.00 0.00 177.00 176.20 1sj4 s PHE 77 N 4.28 0.10 -1.36 6.54 5.36 0.19 -4.79 117.98 128.29 1sj4 s PHE 77 Ca 0.76 0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 56.91 1sj4 s PHE 77 Cb -0.34 -0.43 -0.00 0.00 -0.34 0.00 0.00 43.02 41.91 1sj4 s PHE 77 CO 0.32 -0.17 0.52 0.66 -1.46 0.00 0.00 175.22 175.09 1sj4 n TYR 78 N 4.93 -1.74 -0.99 10.12 4.01 -1.26 -1.36 117.16 130.86 1sj4 n TYR 78 Ca -0.11 0.77 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 1sj4 n TYR 78 Cb 0.50 -3.96 0.00 0.00 -0.31 0.00 0.00 39.34 35.57 1sj4 n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1sj4 n ASP 79 N -3.00 -5.72 -4.12 7.72 8.00 -1.26 -4.66 116.55 113.51 1sj4 n ASP 79 Ca -0.30 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.00 1sj4 n ASP 79 Cb 0.68 -3.36 -0.14 0.00 -0.02 0.00 0.00 41.12 38.28 1sj4 n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1sj4 s LYS 80 N -1.90 0.89 -0.25 -1.24 1.02 -0.47 -5.08 119.74 112.72 1sj4 s LYS 80 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 1sj4 s LYS 80 Cb 0.00 -0.88 -0.00 0.00 -0.52 0.00 0.00 37.83 36.43 1sj4 s LYS 80 CO 0.00 0.22 1.28 -2.14 -0.92 0.00 0.00 175.35 173.79 1sj4 s PRO 81 N -0.96 4.04 0.14 -1.68 0.02 -1.26 -0.64 135.00 134.67 1sj4 s PRO 81 Ca 0.01 1.41 -0.31 0.00 0.02 0.00 0.00 61.00 62.13 1sj4 s PRO 81 Cb -0.07 -3.83 -0.09 0.00 0.02 0.00 0.00 34.50 30.53 1sj4 s PRO 81 CO 0.01 -0.95 1.49 1.41 -0.33 0.00 0.00 177.00 178.62 1sj4 s MET 82 N 3.89 4.26 -0.24 5.54 1.75 -0.44 -4.82 119.30 129.25 1sj4 s MET 82 Ca 0.55 2.23 -0.05 0.00 -1.25 0.00 0.00 55.69 57.18 1sj4 s MET 82 Cb -0.19 -3.20 -0.01 0.00 2.84 0.00 0.00 34.83 34.28 1sj4 s MET 82 CO 0.19 -0.53 0.00 0.50 -0.65 0.00 0.00 175.02 174.53 1sj4 s ARG 83 N 1.12 3.41 0.08 4.11 3.52 -0.96 -0.10 118.95 130.13 1sj4 s ARG 83 Ca 0.68 -0.61 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 1sj4 s ARG 83 Cb -0.41 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1sj4 s ARG 83 CO 0.31 -0.22 -0.09 0.42 -0.81 0.00 0.00 175.30 174.91 1sj4 s ILE 84 N 1.52 3.46 0.29 4.11 1.01 -1.26 -0.95 121.20 129.38 1sj4 s ILE 84 Ca 0.05 -1.12 -0.07 0.00 0.00 0.00 0.00 60.65 59.51 1sj4 s ILE 84 Cb -0.15 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 1sj4 s ILE 84 CO -0.01 0.19 0.45 -1.10 0.00 0.00 0.00 174.94 174.47 1sj4 s GLN 85 N -1.99 1.70 0.39 2.79 -0.21 0.07 -4.99 119.66 117.42 1sj4 s GLN 85 Ca 0.20 -1.53 -0.08 0.00 0.02 0.00 0.00 55.36 53.98 1sj4 s GLN 85 Cb -0.11 0.44 -0.06 0.00 1.00 0.00 0.00 33.01 34.29 1sj4 s GLN 85 CO 0.12 -0.70 0.72 0.71 -2.12 0.00 0.00 175.29 174.03 1sj4 s TYR 86 N -3.54 3.49 0.19 0.91 2.02 -1.26 0.31 117.35 119.47 1sj4 s TYR 86 Ca 0.28 0.90 -0.30 0.00 -0.37 0.00 0.00 57.07 57.58 1sj4 s TYR 86 Cb 0.00 -2.33 -0.08 0.00 -0.40 0.00 0.00 41.96 39.15 1sj4 s TYR 86 CO 0.14 -0.08 1.08 0.00 -1.57 0.00 0.00 175.55 175.13 1sj4 s ALA 87 N -2.38 3.36 0.47 3.71 0.00 0.42 -4.39 121.76 122.96 1sj4 s ALA 87 Ca 0.49 0.80 0.25 0.00 0.00 0.00 0.00 51.96 53.49 1sj4 s ALA 87 Cb -0.10 -3.34 1.29 0.00 0.00 0.00 0.00 23.12 20.97 1sj4 s ALA 87 CO 0.34 -0.17 1.86 0.87 0.00 0.00 0.00 175.76 178.65 1sj4 h LYS 88 N 4.96 0.20 -4.00 0.00 1.57 -1.92 -3.44 116.57 113.95 1sj4 h LYS 88 Ca -0.44 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.20 1sj4 h LYS 88 Cb 1.21 -0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.35 1sj4 h LYS 88 CO 0.72 0.13 -0.37 0.95 -0.57 0.00 0.00 179.45 180.31 1sj4 s THR 89 N -5.21 0.06 0.62 -0.16 -4.23 -1.26 -4.94 115.64 100.51 1sj4 s THR 89 Ca -0.07 -1.52 -0.18 0.00 -1.18 0.00 0.00 61.69 58.75 1sj4 s THR 89 Cb 0.23 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 1sj4 s THR 89 CO 0.78 -0.26 1.18 -1.81 -0.54 0.00 0.00 174.62 173.97 1sj4 s ASP 90 N -3.00 5.09 0.47 3.99 1.01 -1.26 -4.93 116.67 118.03 1sj4 s ASP 90 Ca 0.21 2.28 -0.09 0.00 0.71 0.00 0.00 52.55 55.66 1sj4 s ASP 90 Cb 0.04 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1sj4 s ASP 90 CO 0.02 -1.66 0.82 -0.44 0.21 0.00 0.00 175.17 174.13 1sj4 s SER 91 N -1.87 6.40 0.29 0.27 0.01 -1.26 -4.94 113.70 112.61 1sj4 s SER 91 Ca 0.74 1.13 0.00 0.00 1.31 0.00 0.00 55.95 59.13 1sj4 s SER 91 Cb -0.27 -2.33 0.50 0.00 0.21 0.00 0.00 66.02 64.13 1sj4 s SER 91 CO 0.36 -0.53 1.90 0.44 0.41 0.00 0.00 173.24 175.82 1sj4 h ASP 92 N 0.69 0.94 -0.77 2.44 3.32 -1.99 -1.32 116.42 119.72 1sj4 h ASP 92 Ca -0.47 0.01 0.12 0.00 0.02 0.00 0.00 57.03 56.72 1sj4 h ASP 92 Cb 1.19 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 1sj4 h ASP 92 CO 0.63 0.60 0.51 0.16 -1.72 0.00 0.00 179.24 179.41 1sj4 h ILE 93 N 1.06 0.87 0.03 0.35 -2.65 -1.99 0.68 117.51 115.87 1sj4 h ILE 93 Ca 0.40 -0.19 -0.22 0.00 1.03 0.00 0.00 64.86 65.88 1sj4 h ILE 93 Cb 0.20 0.25 -0.01 0.00 -2.05 0.00 0.00 36.82 35.22 1sj4 h ILE 93 CO -0.16 0.10 -0.99 0.40 0.03 0.00 0.00 178.15 177.54 1sj4 h ILE 94 N 0.56 1.49 -0.24 0.16 1.08 -1.64 -3.30 117.51 115.63 1sj4 h ILE 94 Ca 0.37 -2.73 -0.08 0.00 -0.39 0.00 0.00 64.86 62.02 1sj4 h ILE 94 Cb 0.65 2.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 1sj4 h ILE 94 CO -0.13 0.80 -0.17 0.00 -0.69 0.00 0.00 178.15 177.95 1sj4 h ALA 95 N 0.83 0.35 0.00 1.87 0.00 -0.70 -2.07 119.26 119.53 1sj4 h ALA 95 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1sj4 h ALA 95 Cb 1.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1sj4 h ALA 95 CO 0.16 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.30 1sj4 n LYS 96 N -4.43 0.00 0.00 0.00 5.02 0.07 -4.00 118.16 114.83 1sj4 n LYS 96 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1sj4 n LYS 96 Cb 0.39 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1sj4 n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1sj4 n MET 97 N -0.85 0.00 0.00 1.97 2.81 -1.06 -5.10 117.12 114.89 1sj4 n MET 97 Ca 0.00 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.04 1sj4 n MET 97 Cb 0.00 0.00 0.83 0.00 -0.71 0.00 0.00 33.22 33.34 1sj4 n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11