#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh3 s LEU 2 N 0.00 3.21 -0.11 0.00 1.43 -1.24 -4.99 118.68 116.99 1jh3 s LEU 2 Ca 0.00 -0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 52.12 1jh3 s LEU 2 Cb 0.00 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1jh3 s LEU 2 CO 0.00 -0.55 0.01 -0.36 0.23 0.00 0.00 176.35 175.68 1jh3 s PHE 3 N -2.54 3.16 0.21 0.29 0.40 -1.26 -2.99 117.98 115.24 1jh3 s PHE 3 Ca 0.43 0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.88 1jh3 s PHE 3 Cb 0.01 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 1jh3 s PHE 3 CO 0.24 0.34 0.11 0.43 0.70 0.00 0.00 175.22 177.04 1jh3 n SER 4 N 2.58 0.55 -0.13 1.36 7.64 -1.26 -4.93 113.62 119.43 1jh3 n SER 4 Ca -0.18 -2.21 -0.08 0.00 1.01 0.00 0.00 58.87 57.41 1jh3 n SER 4 Cb 0.53 0.70 0.08 0.00 -1.01 0.00 0.00 64.21 64.52 1jh3 n SER 4 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1jh3 h GLY 5 N 0.99 0.94 -0.92 0.23 0.00 -2.05 -3.43 103.07 98.82 1jh3 h GLY 5 Ca -0.16 -0.73 -0.48 0.00 0.00 0.00 0.00 47.33 45.95 1jh3 h GLY 5 CO 0.25 0.67 0.40 0.99 0.00 0.00 0.00 176.54 178.85 1jh3 s ASP 6 N -6.69 4.97 -1.08 0.19 1.01 -1.26 -4.97 116.67 108.84 1jh3 s ASP 6 Ca -0.10 1.07 -0.24 0.00 0.71 0.00 0.00 52.55 53.99 1jh3 s ASP 6 Cb 0.13 -1.77 -0.11 0.00 1.01 0.00 0.00 42.92 42.19 1jh3 s ASP 6 CO 0.84 -1.64 2.00 0.27 0.21 0.00 0.00 175.17 176.85 1jh3 s ILE 7 N -3.38 3.40 -1.33 0.77 -5.25 -1.26 -4.68 121.20 109.47 1jh3 s ILE 7 Ca 0.60 -0.59 0.21 0.00 -0.99 0.00 0.00 60.65 59.87 1jh3 s ILE 7 Cb -0.12 -4.25 0.32 0.00 2.95 0.00 0.00 42.46 41.36 1jh3 s ILE 7 CO 0.52 -0.75 1.66 0.00 -1.79 0.00 0.00 174.94 174.57 1jh3 n ALA 8 N 15.56 2.05 0.17 2.27 0.00 -1.26 -2.03 120.51 137.28 1jh3 n ALA 8 Ca 0.43 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.84 1jh3 n ALA 8 Cb 0.46 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.70 1jh3 n ALA 8 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jh3 h ASN 9 N 0.00 0.00 -0.88 0.00 -0.26 -1.81 -3.21 115.58 109.43 1jh3 h ASN 9 Ca 0.00 0.00 -0.73 0.00 -0.56 0.00 0.00 56.30 55.01 1jh3 h ASN 9 Cb 0.23 0.00 -0.10 0.00 -1.06 0.00 0.00 38.32 37.39 1jh3 h ASN 9 CO 0.00 0.33 2.59 0.18 -1.06 0.00 0.00 177.43 179.47 1jh3 n LEU 10 N -3.21 7.35 -4.87 1.61 7.99 -0.86 -4.86 117.00 120.15 1jh3 n LEU 10 Ca 0.02 -4.58 -0.29 0.00 -0.01 0.00 0.00 56.01 51.15 1jh3 n LEU 10 Cb 0.64 -1.49 0.09 0.00 -0.11 0.00 0.00 43.42 42.54 1jh3 n LEU 10 CO 0.38 1.60 0.76 -0.89 -1.51 0.00 0.00 177.39 177.73 1jh3 s THR 11 N 0.74 2.48 0.05 -5.08 2.01 -1.21 -4.80 115.64 109.82 1jh3 s THR 11 Ca 0.49 0.16 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 1jh3 s THR 11 Cb 0.14 -3.10 -0.17 0.00 0.01 0.00 0.00 72.50 69.38 1jh3 s THR 11 CO -0.05 -0.20 1.45 0.00 -0.69 0.00 0.00 174.62 175.13 1jh3 h ALA 12 N -1.02 -0.70 0.00 7.40 0.00 -1.93 0.22 119.26 123.23 1jh3 h ALA 12 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1jh3 h ALA 12 Cb 1.31 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1jh3 h ALA 12 CO 0.64 -0.82 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1jh3 h ALA 13 N -0.43 1.00 0.02 0.00 0.00 -1.98 0.67 119.26 118.55 1jh3 h ALA 13 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1jh3 h ALA 13 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1jh3 h ALA 13 CO 0.12 0.00 -0.89 1.49 0.00 0.00 0.00 179.25 179.97 1jh3 h GLU 14 N 0.00 0.56 0.04 0.00 4.57 -1.74 -1.64 114.58 116.38 1jh3 h GLU 14 Ca 0.00 -0.64 -0.00 0.00 -1.18 0.00 0.00 59.36 57.54 1jh3 h GLU 14 Cb 0.46 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1jh3 h GLU 14 CO 0.00 1.25 -0.02 0.82 -1.18 0.00 0.00 179.01 179.88 1jh3 h ILE 15 N 0.15 1.33 -0.39 2.32 2.04 -0.22 0.16 117.51 122.90 1jh3 h ILE 15 Ca -0.12 -1.39 0.04 0.00 1.00 0.00 0.00 64.86 64.38 1jh3 h ILE 15 Cb 1.58 2.23 -0.04 0.00 -0.74 0.00 0.00 36.82 39.85 1jh3 h ILE 15 CO 0.17 0.34 0.18 -0.33 0.00 0.00 0.00 178.15 178.51 1jh3 h GLU 16 N -0.70 0.35 0.01 2.37 5.08 -0.96 0.48 114.58 121.21 1jh3 h GLU 16 Ca -0.01 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 1jh3 h GLU 16 Cb 0.61 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1jh3 h GLU 16 CO 0.01 0.23 -0.92 0.37 -1.00 0.00 0.00 179.01 177.70 1jh3 h GLN 17 N 0.36 0.03 -0.35 2.33 5.75 -1.39 -0.49 115.11 121.35 1jh3 h GLN 17 Ca 0.17 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1jh3 h GLN 17 Cb 0.11 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 1jh3 h GLN 17 CO -0.14 0.93 0.14 0.78 -2.65 0.00 0.00 178.83 177.89 1jh3 h GLY 18 N 2.60 0.52 -0.15 2.39 0.00 -0.01 -3.13 103.07 105.30 1jh3 h GLY 18 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jh3 h GLY 18 CO 0.12 0.23 -0.07 0.69 0.00 0.00 0.00 176.54 177.50 1jh3 n PHE 19 N -4.40 0.00 0.15 5.60 3.72 0.10 -4.79 117.46 117.84 1jh3 n PHE 19 Ca 0.02 -0.69 0.10 0.00 -0.05 0.00 0.00 57.45 56.83 1jh3 n PHE 19 Cb 0.13 -0.11 0.51 0.00 -0.94 0.00 0.00 39.48 39.08 1jh3 n PHE 19 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1jh3 n LYS 20 N -0.95 0.12 0.21 -1.08 -0.00 -0.20 -1.30 118.16 114.96 1jh3 n LYS 20 Ca 0.09 0.61 0.10 0.00 -0.00 0.00 0.00 58.31 59.12 1jh3 n LYS 20 Cb 0.56 -1.90 0.18 0.00 -0.00 0.00 0.00 35.03 33.87 1jh3 n LYS 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1jh3 h ASP 21 N 0.00 0.00 -2.11 -5.58 3.58 -1.86 -3.46 116.42 106.98 1jh3 h ASP 21 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 1jh3 h ASP 21 Cb 0.01 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 40.95 1jh3 h ASP 21 CO 0.00 0.12 -0.67 -0.69 -2.88 0.00 0.00 179.24 175.13 1jh3 s VAL 22 N -3.20 2.91 0.80 2.25 1.01 -0.42 -5.13 120.40 118.62 1jh3 s VAL 22 Ca 0.06 -2.07 -0.10 0.00 0.00 0.00 0.00 61.98 59.87 1jh3 s VAL 22 Cb 0.06 -2.68 0.11 0.00 0.00 0.00 0.00 36.38 33.87 1jh3 s VAL 22 CO 0.68 -0.32 1.14 -2.16 0.00 0.00 0.00 175.10 174.43 1jh3 s PRO 23 N -3.64 1.69 0.34 2.72 0.04 -1.26 -4.83 135.00 130.06 1jh3 s PRO 23 Ca 0.32 -0.28 0.04 0.00 0.04 0.00 0.00 61.00 61.12 1jh3 s PRO 23 Cb -0.04 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 1jh3 s PRO 23 CO 0.18 -1.65 0.06 -1.54 0.04 0.00 0.00 177.00 174.08 1jh3 s SER 24 N -4.65 2.60 0.04 6.66 1.04 -1.26 -1.78 113.70 116.35 1jh3 s SER 24 Ca 0.65 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1jh3 s SER 24 Cb -0.09 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 1jh3 s SER 24 CO 0.48 -0.61 -0.04 0.12 0.98 0.00 0.00 173.24 174.17 1jh3 s PHE 25 N -3.22 0.48 -0.04 5.02 5.36 -0.05 -4.92 117.98 120.61 1jh3 s PHE 25 Ca 0.35 -0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 55.54 1jh3 s PHE 25 Cb 0.08 -0.33 0.03 0.00 -0.34 0.00 0.00 43.02 42.46 1jh3 s PHE 25 CO 0.16 -0.24 0.02 0.54 -1.46 0.00 0.00 175.22 174.23 1jh3 s VAL 26 N -2.62 0.09 0.00 3.12 0.11 -1.25 -0.81 120.40 119.04 1jh3 s VAL 26 Ca -0.03 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 1jh3 s VAL 26 Cb -0.02 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 1jh3 s VAL 26 CO -0.05 0.16 0.00 0.00 -3.33 0.00 0.00 175.10 171.88 1jh3 n HIS 27 N 4.60 -0.31 1.22 1.54 1.44 -0.68 -4.88 115.22 118.16 1jh3 n HIS 27 Ca -0.18 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.56 1jh3 n HIS 27 Cb 0.50 0.00 0.09 0.00 0.12 0.00 0.00 29.99 30.70 1jh3 n HIS 27 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1jh3 n GLU 28 N -0.10 1.54 -0.87 -1.40 1.02 -1.26 -0.35 120.64 119.23 1jh3 n GLU 28 Ca 0.00 -0.69 0.12 0.00 -0.02 0.00 0.00 57.16 56.57 1jh3 n GLU 28 Cb 0.00 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1jh3 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jh3 n GLY 29 N 0.66 -1.76 0.00 0.62 0.00 -1.26 -4.86 105.19 98.59 1jh3 n GLY 29 Ca 0.06 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1jh3 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jh3 n GLY 30 N -2.68 -2.75 3.74 -0.02 0.00 -1.26 -4.99 105.19 97.23 1jh3 n GLY 30 Ca 0.01 -1.07 -0.37 0.00 0.00 0.00 0.00 46.02 44.58 1jh3 n GLY 30 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jh3 s ASP 31 N -1.22 4.86 -0.26 1.61 -4.77 -1.26 -4.92 116.67 110.70 1jh3 s ASP 31 Ca 0.00 2.55 -0.25 0.00 -3.30 0.00 0.00 52.55 51.55 1jh3 s ASP 31 Cb 0.00 -2.61 0.08 0.00 -1.09 0.00 0.00 42.92 39.29 1jh3 s ASP 31 CO 0.00 -1.83 0.75 -0.69 0.70 0.00 0.00 175.17 174.10 1jh3 s VAL 32 N -1.46 0.00 0.49 2.11 1.01 -1.26 -4.95 120.40 116.34 1jh3 s VAL 32 Ca 0.80 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.59 1jh3 s VAL 32 Cb -0.35 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 1jh3 s VAL 32 CO 0.38 0.00 1.02 -2.16 0.00 0.00 0.00 175.10 174.34 1jh3 s PRO 33 N 0.31 3.84 0.44 2.72 0.04 -1.26 -3.38 135.00 137.71 1jh3 s PRO 33 Ca 0.00 1.26 0.24 0.00 0.04 0.00 0.00 61.00 62.54 1jh3 s PRO 33 Cb -0.05 -2.11 1.24 0.00 0.04 0.00 0.00 34.50 33.63 1jh3 s PRO 33 CO 0.00 -0.38 1.78 1.37 0.04 0.00 0.00 177.00 179.81 1jh3 h LEU 34 N 1.44 0.31 -1.30 -3.56 -0.00 -1.73 0.60 115.31 111.07 1jh3 h LEU 34 Ca -0.49 0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 57.38 1jh3 h LEU 34 Cb 1.21 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 1jh3 h LEU 34 CO 0.59 0.05 -0.35 1.62 -0.00 0.00 0.00 178.44 180.35 1jh3 h VAL 35 N 0.27 1.24 0.11 0.15 3.04 -1.91 -1.28 116.25 117.86 1jh3 h VAL 35 Ca 0.59 -1.20 -0.37 0.00 -1.01 0.00 0.00 66.70 64.72 1jh3 h VAL 35 Cb 1.75 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 32.66 1jh3 h VAL 35 CO -0.22 0.34 -2.06 -0.62 -1.01 0.00 0.00 177.57 174.00 1jh3 n GLU 36 N -4.11 0.74 0.13 4.17 -0.58 0.10 -3.62 120.64 117.47 1jh3 n GLU 36 Ca -0.02 0.25 -0.02 0.00 -0.42 0.00 0.00 57.16 56.95 1jh3 n GLU 36 Cb 0.39 -1.68 0.18 0.00 -0.57 0.00 0.00 31.44 29.76 1jh3 n GLU 36 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1jh3 h LEU 37 N 0.05 0.07 0.00 -4.62 8.10 -1.24 -0.78 115.31 116.89 1jh3 h LEU 37 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 57.88 57.44 1jh3 h LEU 37 Cb 2.01 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 42.20 1jh3 h LEU 37 CO 0.06 0.63 -0.89 0.17 -4.11 0.00 0.00 178.44 174.31 1jh3 h LEU 38 N 0.05 0.00 0.03 0.17 -0.00 -1.41 0.29 115.31 114.44 1jh3 h LEU 38 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1jh3 h LEU 38 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1jh3 h LEU 38 CO 0.08 0.23 -0.01 1.62 -0.00 0.00 0.00 178.44 180.35 1jh3 h VAL 39 N 0.00 1.40 -0.81 0.15 3.04 -1.59 0.19 116.25 118.63 1jh3 h VAL 39 Ca -0.05 -1.53 -0.04 0.00 -1.01 0.00 0.00 66.70 64.08 1jh3 h VAL 39 Cb 1.21 2.39 -0.04 0.00 -2.01 0.00 0.00 31.29 32.85 1jh3 h VAL 39 CO 0.02 0.38 0.35 -1.28 -1.01 0.00 0.00 177.57 176.03 1jh3 h SER 40 N -0.73 1.08 1.68 3.17 0.87 -1.16 -2.10 113.55 116.37 1jh3 h SER 40 Ca -0.00 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.36 1jh3 h SER 40 Cb 0.65 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 1jh3 h SER 40 CO 0.01 0.94 -0.20 0.00 -0.53 0.00 0.00 176.83 177.05 1jh3 h ALA 41 N 1.22 0.89 -0.15 6.23 0.00 -0.49 -3.47 119.26 123.48 1jh3 h ALA 41 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jh3 h ALA 41 Cb 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jh3 h ALA 41 CO -0.03 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1jh3 n GLY 42 N 1.00 1.21 0.14 0.00 0.00 -0.17 -4.80 105.19 102.57 1jh3 n GLY 42 Ca 0.03 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.53 1jh3 n GLY 42 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jh3 h ILE 43 N 0.00 1.43 -2.18 -0.61 5.03 -0.95 -3.43 117.51 116.81 1jh3 h ILE 43 Ca 0.00 -2.33 -0.23 0.00 -0.12 0.00 0.00 64.86 62.18 1jh3 h ILE 43 Cb 0.40 2.84 -0.33 0.00 -3.03 0.00 0.00 36.82 36.70 1jh3 h ILE 43 CO 0.00 0.68 -0.55 -0.44 -0.68 0.00 0.00 178.15 177.16 1jh3 s SER 44 N -6.97 0.79 0.25 1.72 0.01 -1.16 -5.03 113.70 103.30 1jh3 s SER 44 Ca -0.13 -0.01 0.26 0.00 1.31 0.00 0.00 55.95 57.38 1jh3 s SER 44 Cb 0.03 0.77 0.71 0.00 0.21 0.00 0.00 66.02 67.74 1jh3 s SER 44 CO 0.85 -0.31 1.73 1.55 0.41 0.00 0.00 173.24 177.47 1jh3 h PRO 45 N 8.24 0.00 -6.25 12.44 0.13 -1.82 -3.36 132.00 141.38 1jh3 h PRO 45 Ca -0.18 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.37 1jh3 h PRO 45 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 1jh3 h PRO 45 CO 0.28 0.00 0.77 0.45 -0.23 0.00 0.00 178.00 179.27 1jh3 s SER 46 N -4.82 6.85 0.52 1.44 0.15 -1.26 -4.93 113.70 111.66 1jh3 s SER 46 Ca 0.10 0.91 0.19 0.00 0.70 0.00 0.00 55.95 57.84 1jh3 s SER 46 Cb 0.11 -2.52 1.30 0.00 -1.71 0.00 0.00 66.02 63.21 1jh3 s SER 46 CO 0.61 -0.87 2.11 0.50 1.20 0.00 0.00 173.24 176.79 1jh3 h LYS 47 N 8.22 0.00 0.12 5.44 3.64 -1.98 0.37 116.57 132.37 1jh3 h LYS 47 Ca -0.21 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1jh3 h LYS 47 Cb 1.07 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1jh3 h LYS 47 CO 1.02 0.00 -0.06 -0.09 -2.27 0.00 0.00 179.45 178.05 1jh3 h ARG 48 N 0.00 -0.15 -0.26 1.90 1.12 -1.95 -1.82 114.38 113.21 1jh3 h ARG 48 Ca 0.07 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.00 1jh3 h ARG 48 Cb 0.28 0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.22 1jh3 h ARG 48 CO -0.00 0.29 -0.06 0.37 -3.11 0.00 0.00 179.97 177.45 1jh3 h GLN 49 N -0.66 0.00 -0.38 0.20 5.75 -1.53 -1.47 115.11 117.02 1jh3 h GLN 49 Ca -0.02 -0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.54 1jh3 h GLN 49 Cb 0.51 -0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.97 1jh3 h GLN 49 CO 0.03 0.00 -0.50 0.00 -2.65 0.00 0.00 178.83 175.71 1jh3 h ALA 50 N 1.26 -0.63 -0.50 3.38 0.00 -0.38 0.44 119.26 122.83 1jh3 h ALA 50 Ca 0.13 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1jh3 h ALA 50 Cb 0.19 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1jh3 h ALA 50 CO -0.27 -0.97 0.34 0.00 0.00 0.00 0.00 179.25 178.35 1jh3 h ARG 51 N -0.38 0.45 0.12 0.00 3.08 -0.42 0.99 114.38 118.23 1jh3 h ARG 51 Ca 0.10 -0.03 -0.28 0.00 0.07 0.00 0.00 59.98 59.85 1jh3 h ARG 51 Cb 0.60 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1jh3 h ARG 51 CO -0.57 0.30 -1.28 1.49 -1.07 0.00 0.00 179.97 178.84 1jh3 h GLU 52 N 0.47 0.25 0.00 0.04 4.81 -0.24 -0.96 114.58 118.95 1jh3 h GLU 52 Ca 0.21 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1jh3 h GLU 52 Cb 0.26 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1jh3 h GLU 52 CO -0.06 1.19 0.00 -0.44 -0.73 0.00 0.00 179.01 178.97 1jh3 h ASP 53 N 0.07 0.00 0.00 1.04 5.19 0.77 0.13 116.42 123.62 1jh3 h ASP 53 Ca -0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 1jh3 h ASP 53 Cb 1.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.48 1jh3 h ASP 53 CO 0.19 0.00 -0.28 0.40 -3.12 0.00 0.00 179.24 176.44 1jh3 h ILE 54 N 0.00 0.00 0.00 0.35 2.04 -0.86 -3.41 117.51 115.63 1jh3 h ILE 54 Ca 0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1jh3 h ILE 54 Cb 0.19 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1jh3 h ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1jh3 n GLN 55 N -4.25 0.29 -2.77 2.37 6.02 -0.37 -4.28 117.38 114.40 1jh3 n GLN 55 Ca -0.04 0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 1jh3 n GLN 55 Cb 0.14 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 1jh3 n GLN 55 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1jh3 s ASN 56 N -2.55 7.36 0.00 1.08 0.02 0.35 -4.89 114.94 116.31 1jh3 s ASN 56 Ca 0.19 1.64 0.00 0.00 -1.02 0.00 0.00 52.86 53.67 1jh3 s ASN 56 Cb 0.13 -2.55 0.00 0.00 0.02 0.00 0.00 41.25 38.85 1jh3 s ASN 56 CO 0.30 -0.16 0.30 0.61 0.02 0.00 0.00 177.10 178.17 1jh3 n GLY 57 N 2.68 0.00 0.07 0.66 0.00 -1.26 -1.98 105.19 105.35 1jh3 n GLY 57 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1jh3 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jh3 n ALA 58 N -0.78 2.45 -3.69 4.61 0.00 -1.26 -4.14 120.51 117.69 1jh3 n ALA 58 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1jh3 n ALA 58 Cb 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.36 1jh3 n ALA 58 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1jh3 s ILE 59 N -1.87 3.84 -0.82 0.00 -1.16 -0.84 0.49 121.20 120.85 1jh3 s ILE 59 Ca 0.00 -2.98 -0.26 0.00 -0.51 0.00 0.00 60.65 56.91 1jh3 s ILE 59 Cb 0.00 -3.49 0.03 0.00 0.61 0.00 0.00 42.46 39.61 1jh3 s ILE 59 CO 0.00 -0.89 1.40 -0.31 -2.81 0.00 0.00 174.94 172.32 1jh3 s TYR 60 N -0.11 2.29 0.12 3.50 2.02 -0.39 -1.75 117.35 123.04 1jh3 s TYR 60 Ca 0.17 -0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.37 1jh3 s TYR 60 Cb -0.19 -4.59 -0.06 0.00 -0.40 0.00 0.00 41.96 36.71 1jh3 s TYR 60 CO -0.04 -2.04 1.01 0.54 -1.57 0.00 0.00 175.55 173.45 1jh3 s VAL 61 N 5.91 4.32 -0.97 0.71 0.11 0.62 -0.45 120.40 130.65 1jh3 s VAL 61 Ca 0.42 1.92 0.00 0.00 -2.93 0.00 0.00 61.98 61.39 1jh3 s VAL 61 Cb -0.06 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.57 1jh3 s VAL 61 CO 0.07 0.29 0.00 0.59 -3.33 0.00 0.00 175.10 172.73 1jh3 n ASN 62 N 2.76 -5.78 0.00 3.54 4.13 0.32 -0.05 115.26 120.18 1jh3 n ASN 62 Ca 0.03 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.51 1jh3 n ASN 62 Cb 0.48 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.64 1jh3 n ASN 62 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jh3 n GLY 63 N 0.37 0.71 3.16 7.41 0.00 -1.24 -4.98 105.19 110.63 1jh3 n GLY 63 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1jh3 n GLY 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jh3 s GLU 64 N -0.73 2.76 -0.39 1.61 -1.05 0.93 -4.91 118.70 116.91 1jh3 s GLU 64 Ca 0.00 -0.77 -0.27 0.00 -0.15 0.00 0.00 54.97 53.78 1jh3 s GLU 64 Cb 0.00 -2.17 -0.05 0.00 -0.44 0.00 0.00 34.13 31.48 1jh3 s GLU 64 CO 0.00 0.07 2.15 0.50 0.95 0.00 0.00 175.26 178.94 1jh3 s ARG 65 N 0.60 2.73 -0.28 -4.83 3.52 -1.26 -0.28 118.95 119.16 1jh3 s ARG 65 Ca -0.13 1.49 -0.04 0.00 -0.13 0.00 0.00 55.73 56.91 1jh3 s ARG 65 Cb -0.17 -4.42 0.10 0.00 -1.56 0.00 0.00 34.95 28.90 1jh3 s ARG 65 CO 0.04 -2.56 0.13 -0.51 -0.81 0.00 0.00 175.30 171.58 1jh3 s LEU 66 N 9.52 0.51 -0.32 -0.88 1.43 -0.72 -4.92 118.68 123.30 1jh3 s LEU 66 Ca 0.91 -1.22 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 1jh3 s LEU 66 Cb -0.22 -0.33 0.61 0.00 0.03 0.00 0.00 46.19 46.28 1jh3 s LEU 66 CO 0.29 -0.43 1.66 0.00 0.23 0.00 0.00 176.35 178.10 1jh3 n GLN 67 N 5.25 2.55 -3.78 1.70 0.00 -1.26 -4.67 117.38 117.17 1jh3 n GLN 67 Ca -0.06 -3.07 -0.14 0.00 0.00 0.00 0.00 57.00 53.72 1jh3 n GLN 67 Cb 0.43 -2.01 -0.16 0.00 0.00 0.00 0.00 30.24 28.50 1jh3 n GLN 67 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1jh3 s ASP 68 N -1.78 0.04 0.35 2.61 2.15 -1.26 -4.05 116.67 114.73 1jh3 s ASP 68 Ca 0.50 0.06 0.03 0.00 0.43 0.00 0.00 52.55 53.58 1jh3 s ASP 68 Cb 0.42 -0.03 0.66 0.00 -0.30 0.00 0.00 42.92 43.68 1jh3 s ASP 68 CO 0.07 -0.12 1.99 1.62 -0.17 0.00 0.00 175.17 178.57 1jh3 h VAL 69 N 6.13 1.11 0.00 1.11 3.04 -1.94 -0.50 116.25 125.21 1jh3 h VAL 69 Ca -0.43 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1jh3 h VAL 69 Cb 1.13 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1jh3 h VAL 69 CO 0.48 0.15 0.00 1.23 -1.01 0.00 0.00 177.57 178.42 1jh3 h GLY 70 N 0.84 0.00 0.62 3.17 0.00 -2.02 -2.97 103.07 102.71 1jh3 h GLY 70 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.24 1jh3 h GLY 70 CO -0.07 0.00 -1.99 0.00 0.00 0.00 0.00 176.54 174.48 1jh3 n ALA 71 N -2.06 1.06 -3.70 3.60 0.00 -0.37 -4.98 120.51 114.06 1jh3 n ALA 71 Ca -0.01 -0.68 -0.16 0.00 0.00 0.00 0.00 53.44 52.59 1jh3 n ALA 71 Cb 0.21 -0.66 -0.16 0.00 0.00 0.00 0.00 19.45 18.84 1jh3 n ALA 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jh3 s ILE 72 N -2.56 -0.16 0.00 0.00 1.01 -0.34 -4.84 121.20 114.31 1jh3 s ILE 72 Ca -0.20 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.77 1jh3 s ILE 72 Cb 0.07 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.31 1jh3 s ILE 72 CO 0.77 0.13 0.00 0.18 0.00 0.00 0.00 174.94 176.02 1jh3 n LEU 73 N 4.92 0.00 0.00 2.97 4.77 -1.26 -3.25 117.00 125.15 1jh3 n LEU 73 Ca -0.12 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.79 1jh3 n LEU 73 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1jh3 n LEU 73 CO 0.10 0.00 0.13 0.35 -1.33 0.00 0.00 177.39 176.64 1jh3 n THR 74 N 0.00 0.00 -0.33 -5.08 -2.24 -1.22 -4.27 114.28 101.14 1jh3 n THR 74 Ca 0.00 -0.58 -0.02 0.00 -2.27 0.00 0.00 64.05 61.18 1jh3 n THR 74 Cb 0.00 -0.93 0.11 0.00 -2.10 0.00 0.00 70.33 67.41 1jh3 n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jh3 h ALA 75 N 0.20 1.18 0.00 6.98 0.00 -1.92 -1.06 119.26 124.63 1jh3 h ALA 75 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1jh3 h ALA 75 Cb 0.39 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jh3 h ALA 75 CO 0.12 0.49 0.00 1.05 0.00 0.00 0.00 179.25 180.91 1jh3 h GLU 76 N 1.18 0.00 -0.23 0.00 4.11 -1.77 0.83 114.58 118.70 1jh3 h GLU 76 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1jh3 h GLU 76 Cb -0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1jh3 h GLU 76 CO -0.10 0.00 0.00 1.58 0.07 0.00 0.00 179.01 180.56 1jh3 n HIS 77 N -2.64 0.28 0.08 2.06 -0.00 -0.42 -4.60 115.22 109.98 1jh3 n HIS 77 Ca -0.00 -0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.03 1jh3 n HIS 77 Cb 0.16 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 1jh3 n HIS 77 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1jh3 n ARG 78 N 0.78 0.00 -0.61 1.57 3.00 -0.34 -4.58 116.66 116.46 1jh3 n ARG 78 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 58.01 1jh3 n ARG 78 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 32.46 32.65 1jh3 n ARG 78 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1jh3 n LEU 79 N -3.37 0.00 -0.29 6.15 -0.00 0.14 -4.76 117.00 114.87 1jh3 n LEU 79 Ca 0.00 -0.06 0.04 0.00 -0.00 0.00 0.00 56.01 55.99 1jh3 n LEU 79 Cb 0.00 -0.02 0.13 0.00 -0.00 0.00 0.00 43.42 43.52 1jh3 n LEU 79 CO 0.00 -0.52 0.73 1.05 -0.00 0.00 0.00 177.39 178.65 1jh3 h GLU 80 N 0.00 0.02 0.00 1.47 4.11 -1.84 -3.37 114.58 114.96 1jh3 h GLU 80 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1jh3 h GLU 80 Cb 0.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1jh3 h GLU 80 CO 0.01 0.01 0.00 0.41 0.07 0.00 0.00 179.01 179.51 1jh3 n GLY 81 N -1.51 0.41 1.22 1.06 0.00 -1.25 -4.40 105.19 100.72 1jh3 n GLY 81 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1jh3 n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jh3 n ARG 82 N 0.00 0.00 -3.88 1.61 3.00 -1.26 -4.70 116.66 111.44 1jh3 n ARG 82 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.85 57.65 1jh3 n ARG 82 Cb 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 32.46 32.22 1jh3 n ARG 82 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1jh3 n PHE 83 N -2.11 0.02 -3.64 -1.55 3.01 -1.26 -3.90 117.46 108.03 1jh3 n PHE 83 Ca 0.00 -2.08 -0.08 0.00 1.01 0.00 0.00 57.45 56.30 1jh3 n PHE 83 Cb 0.00 0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.43 1jh3 n PHE 83 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1jh3 s THR 84 N -2.80 0.00 0.16 4.37 2.01 0.60 -4.52 115.64 115.46 1jh3 s THR 84 Ca 0.18 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.04 1jh3 s THR 84 Cb 0.01 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.45 1jh3 s THR 84 CO 0.13 0.00 0.55 0.54 -0.69 0.00 0.00 174.62 175.15 1jh3 s VAL 85 N 1.28 4.86 -0.35 3.82 0.11 -1.26 -0.69 120.40 128.18 1jh3 s VAL 85 Ca -0.07 0.80 0.02 0.00 -2.93 0.00 0.00 61.98 59.80 1jh3 s VAL 85 Cb -0.05 -3.72 0.11 0.00 -1.53 0.00 0.00 36.38 31.18 1jh3 s VAL 85 CO -0.14 0.21 0.10 -0.63 -3.33 0.00 0.00 175.10 171.31 1jh3 s ILE 86 N -1.50 1.63 -1.08 7.04 -1.09 0.43 -0.52 121.20 126.11 1jh3 s ILE 86 Ca 0.39 -2.03 -0.11 0.00 -2.23 0.00 0.00 60.65 56.66 1jh3 s ILE 86 Cb -0.15 -2.21 0.24 0.00 -1.58 0.00 0.00 42.46 38.77 1jh3 s ILE 86 CO 0.19 -0.67 1.13 -0.13 -1.23 0.00 0.00 174.94 174.23 1jh3 s ARG 87 N 1.08 4.05 -1.55 2.79 0.52 0.40 -0.96 118.95 125.28 1jh3 s ARG 87 Ca 0.11 -2.88 -0.10 0.00 -0.52 0.00 0.00 55.73 52.34 1jh3 s ARG 87 Cb -0.19 -4.67 -0.07 0.00 0.52 0.00 0.00 34.95 30.54 1jh3 s ARG 87 CO -0.14 -1.40 2.80 -2.13 0.02 0.00 0.00 175.30 174.46 1jh3 n ARG 88 N 3.77 3.46 0.00 3.54 3.00 -0.19 -1.26 116.66 128.99 1jh3 n ARG 88 Ca 0.25 -2.19 0.00 0.00 -0.00 0.00 0.00 57.85 55.91 1jh3 n ARG 88 Cb 0.42 -2.84 0.00 0.00 0.00 0.00 0.00 32.46 30.04 1jh3 n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1jh3 n GLY 89 N 3.67 0.05 0.33 5.14 0.00 0.18 0.03 105.19 114.59 1jh3 n GLY 89 Ca 0.73 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.64 1jh3 n GLY 89 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jh3 h LYS 90 N 0.00 -0.39 -7.61 1.61 3.64 -1.92 -3.42 116.57 108.49 1jh3 h LYS 90 Ca 0.00 0.03 -0.45 0.00 -1.27 0.00 0.00 60.65 58.95 1jh3 h LYS 90 Cb 0.00 0.09 0.13 0.00 -0.41 0.00 0.00 32.23 32.04 1jh3 h LYS 90 CO 0.00 -0.26 0.33 0.21 -2.27 0.00 0.00 179.45 177.46 1jh3 s LYS 91 N -6.00 1.08 0.00 1.90 2.20 0.10 -5.12 119.74 113.90 1jh3 s LYS 91 Ca -0.15 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 54.92 1jh3 s LYS 91 Cb 0.10 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 1jh3 s LYS 91 CO 0.66 -2.05 0.00 1.17 -0.36 0.00 0.00 175.35 174.77 1jh3 n LYS 92 N -3.46 3.43 -3.86 4.03 3.00 -1.26 -4.12 118.16 115.92 1jh3 n LYS 92 Ca 0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.15 1jh3 n LYS 92 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.51 1jh3 n LYS 92 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1jh3 s TYR 93 N 0.70 3.56 0.80 5.64 2.02 -1.25 -1.02 117.35 127.80 1jh3 s TYR 93 Ca 0.00 -3.24 -0.12 0.00 -0.37 0.00 0.00 57.07 53.34 1jh3 s TYR 93 Cb 0.00 -2.84 0.07 0.00 -0.40 0.00 0.00 41.96 38.80 1jh3 s TYR 93 CO 0.00 -0.62 1.15 0.71 -1.57 0.00 0.00 175.55 175.22 1jh3 s TYR 94 N -1.19 2.97 -0.08 2.71 1.51 -0.13 -4.68 117.35 118.45 1jh3 s TYR 94 Ca 0.24 0.86 0.04 0.00 -1.01 0.00 0.00 57.07 57.20 1jh3 s TYR 94 Cb -0.09 -3.36 -0.00 0.00 -0.11 0.00 0.00 41.96 38.40 1jh3 s TYR 94 CO -0.13 -1.72 -0.22 -1.17 -1.11 0.00 0.00 175.55 171.20 1jh3 s LEU 95 N -5.61 2.00 -0.08 -1.29 2.96 -0.73 -0.42 118.68 115.51 1jh3 s LEU 95 Ca 0.61 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 54.08 1jh3 s LEU 95 Cb -0.12 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 1jh3 s LEU 95 CO 0.51 0.15 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.82 1jh3 s ILE 96 N 0.28 2.15 0.24 6.68 -1.09 0.14 -0.87 121.20 128.73 1jh3 s ILE 96 Ca -0.14 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.23 1jh3 s ILE 96 Cb -0.16 -1.80 -0.02 0.00 -1.58 0.00 0.00 42.46 38.89 1jh3 s ILE 96 CO 0.07 0.57 0.28 0.00 -1.23 0.00 0.00 174.94 174.62 1jh3 s ARG 97 N 0.01 1.44 0.28 2.79 1.70 0.01 -0.29 118.95 124.89 1jh3 s ARG 97 Ca -0.09 -1.59 0.08 0.00 -0.47 0.00 0.00 55.73 53.67 1jh3 s ARG 97 Cb -0.15 0.35 -0.06 0.00 -0.57 0.00 0.00 34.95 34.52 1jh3 s ARG 97 CO 0.05 -0.54 -0.10 1.52 -1.08 0.00 0.00 175.30 175.16 1jh3 s TYR 98 N -3.91 2.05 -2.00 5.89 -0.85 -1.25 -1.68 117.35 115.60 1jh3 s TYR 98 Ca 0.34 -0.58 0.11 0.00 -0.52 0.00 0.00 57.07 56.41 1jh3 s TYR 98 Cb 0.04 -1.09 0.63 0.00 0.38 0.00 0.00 41.96 41.92 1jh3 s TYR 98 CO 0.14 0.42 1.07 0.00 -1.52 0.00 0.00 175.55 175.66