#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 3.11 0.00 0.00 1.43 -1.26 -4.68 118.68 117.29 1jh3 s LEU 2 Ca 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1jh3 s LEU 2 Cb 0.00 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1jh3 s LEU 2 CO 0.00 -3.17 0.00 0.33 0.23 0.00 0.00 176.35 173.74 1jh3 n PHE 3 N 16.06 -0.26 -2.98 0.29 7.35 -1.26 -5.07 117.46 131.60 1jh3 n PHE 3 Ca 0.39 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 57.07 1jh3 n PHE 3 Cb 0.48 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.31 1jh3 n PHE 3 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1jh3 n SER 4 N -0.26 -7.65 0.29 -2.13 7.64 -1.26 -4.83 113.62 105.43 1jh3 n SER 4 Ca 0.00 0.03 0.15 0.00 1.01 0.00 0.00 58.87 60.06 1jh3 n SER 4 Cb 0.00 -5.19 0.86 0.00 -1.01 0.00 0.00 64.21 58.86 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 0.68 0.00 0.00 0.23 0.00 -2.00 -3.29 103.07 98.69 1jh3 h GLY 5 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jh3 h GLY 5 CO 0.28 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.04 1jh3 n ASP 6 N -3.58 0.00 -3.99 0.19 8.00 -1.26 -4.51 116.55 111.40 1jh3 n ASP 6 Ca -0.02 0.05 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 1jh3 n ASP 6 Cb 0.17 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1jh3 n ASP 6 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1jh3 n ILE 7 N -0.52 4.46 1.00 0.53 -0.00 -1.26 -4.71 119.36 118.86 1jh3 n ILE 7 Ca 0.00 -4.66 0.02 0.00 -0.00 0.00 0.00 62.75 58.10 1jh3 n ILE 7 Cb 0.00 -2.35 0.09 0.00 -0.00 0.00 0.00 39.64 37.38 1jh3 n ILE 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jh3 n ALA 8 N 3.83 2.02 0.62 -1.28 0.00 -1.24 -0.68 120.51 123.78 1jh3 n ALA 8 Ca 0.37 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.90 1jh3 n ALA 8 Cb 0.37 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 1jh3 n ALA 8 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jh3 n ASN 9 N -0.60 0.62 -2.78 0.00 5.03 -1.26 -4.84 115.26 111.43 1jh3 n ASN 9 Ca 0.02 -0.57 -0.04 0.00 0.87 0.00 0.00 54.58 54.86 1jh3 n ASN 9 Cb 0.01 1.31 0.01 0.00 -1.02 0.00 0.00 39.78 40.09 1jh3 n ASN 9 CO 0.00 0.00 0.00 -1.48 -1.83 0.00 0.00 177.26 173.95 1jh3 s LEU 10 N -3.61 -1.41 0.94 3.41 2.34 0.15 -5.03 118.68 115.48 1jh3 s LEU 10 Ca 0.02 -1.74 -0.15 0.00 0.06 0.00 0.00 54.13 52.32 1jh3 s LEU 10 Cb 0.15 1.86 0.17 0.00 -0.56 0.00 0.00 46.19 47.82 1jh3 s LEU 10 CO 0.87 -0.05 1.23 -0.89 -1.06 0.00 0.00 176.35 176.45 1jh3 s THR 11 N 0.88 1.95 0.04 5.48 2.01 -1.03 -4.64 115.64 120.33 1jh3 s THR 11 Ca 0.30 0.00 -0.24 0.00 0.31 0.00 0.00 61.69 62.06 1jh3 s THR 11 Cb -0.00 -2.90 -0.17 0.00 0.01 0.00 0.00 72.50 69.44 1jh3 s THR 11 CO -0.05 0.00 1.53 0.00 -0.69 0.00 0.00 174.62 175.41 1jh3 h ALA 12 N -1.59 0.03 -0.19 7.40 0.00 -1.88 0.61 119.26 123.65 1jh3 h ALA 12 Ca -0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1jh3 h ALA 12 Cb 1.28 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1jh3 h ALA 12 CO 0.48 -0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.35 1jh3 h ALA 13 N 0.79 1.61 -0.25 0.00 0.00 -1.95 0.15 119.26 119.62 1jh3 h ALA 13 Ca 0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1jh3 h ALA 13 Cb 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jh3 h ALA 13 CO -0.00 0.29 -0.55 1.49 0.00 0.00 0.00 179.25 180.47 1jh3 h GLU 14 N 0.27 0.75 -0.17 0.00 4.57 -1.74 -1.91 114.58 116.35 1jh3 h GLU 14 Ca 0.06 -0.48 -0.06 0.00 -1.18 0.00 0.00 59.36 57.70 1jh3 h GLU 14 Cb 0.23 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1jh3 h GLU 14 CO 0.01 1.10 -0.14 0.82 -1.18 0.00 0.00 179.01 179.63 1jh3 h ILE 15 N 0.57 1.33 0.29 2.32 2.04 0.65 0.42 117.51 125.13 1jh3 h ILE 15 Ca 0.01 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1jh3 h ILE 15 Cb 1.14 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.97 1jh3 h ILE 15 CO 0.12 0.38 -0.43 -0.33 0.00 0.00 0.00 178.15 177.89 1jh3 h GLU 16 N 0.05 -0.75 0.00 2.37 5.08 -0.85 0.34 114.58 120.83 1jh3 h GLU 16 Ca 0.03 0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1jh3 h GLU 16 Cb 0.65 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1jh3 h GLU 16 CO 0.04 -0.50 -0.57 1.96 -1.00 0.00 0.00 179.01 178.93 1jh3 h GLN 17 N -0.77 0.00 0.00 2.33 1.08 -1.36 -1.78 115.11 114.61 1jh3 h GLN 17 Ca -0.01 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1jh3 h GLN 17 Cb 0.73 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 1jh3 h GLN 17 CO -0.14 0.57 -0.41 0.78 -0.95 0.00 0.00 178.83 178.68 1jh3 h GLY 18 N 1.80 0.00 -0.23 3.46 0.00 0.16 -3.17 103.07 105.09 1jh3 h GLY 18 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1jh3 h GLY 18 CO 0.07 0.00 -0.03 0.69 0.00 0.00 0.00 176.54 177.28 1jh3 n PHE 19 N -3.99 0.00 0.00 5.60 3.01 0.08 -4.76 117.46 117.40 1jh3 n PHE 19 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1jh3 n PHE 19 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1jh3 n PHE 19 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1jh3 n LYS 20 N -0.04 0.00 0.08 -1.08 5.02 -0.68 -1.18 118.16 120.28 1jh3 n LYS 20 Ca 0.02 0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.46 1jh3 n LYS 20 Cb 0.08 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.05 1jh3 n LYS 20 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jh3 n ASP 21 N -1.00 0.56 -4.31 4.39 2.03 -1.26 -4.73 116.55 112.24 1jh3 n ASP 21 Ca 0.00 0.56 -0.19 0.00 0.52 0.00 0.00 54.79 55.68 1jh3 n ASP 21 Cb 0.00 -0.71 -0.11 0.00 -0.72 0.00 0.00 41.12 39.59 1jh3 n ASP 21 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1jh3 s VAL 22 N -3.09 1.60 0.80 5.18 0.11 -0.32 -5.17 120.40 119.50 1jh3 s VAL 22 Ca 0.11 -2.00 -0.07 0.00 -2.93 0.00 0.00 61.98 57.09 1jh3 s VAL 22 Cb 0.14 -1.85 0.14 0.00 -1.53 0.00 0.00 36.38 33.28 1jh3 s VAL 22 CO 0.55 -0.50 1.10 -2.16 -3.33 0.00 0.00 175.10 170.77 1jh3 s PRO 23 N -3.20 1.42 0.54 1.54 0.04 -1.26 -4.91 135.00 129.17 1jh3 s PRO 23 Ca 0.17 -0.76 0.07 0.00 0.04 0.00 0.00 61.00 60.52 1jh3 s PRO 23 Cb -0.03 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1jh3 s PRO 23 CO 0.05 -1.73 0.53 -1.54 0.04 0.00 0.00 177.00 174.35 1jh3 s SER 24 N -4.75 4.82 0.20 6.66 1.04 -1.26 -4.10 113.70 116.32 1jh3 s SER 24 Ca 0.68 -1.07 0.09 0.00 0.48 0.00 0.00 55.95 56.13 1jh3 s SER 24 Cb -0.06 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 1jh3 s SER 24 CO 0.47 -1.14 -0.19 0.12 0.98 0.00 0.00 173.24 173.49 1jh3 s PHE 25 N -2.71 1.96 -0.02 5.02 5.36 -0.12 -4.96 117.98 122.51 1jh3 s PHE 25 Ca 0.44 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 55.97 1jh3 s PHE 25 Cb -0.03 -0.93 0.01 0.00 -0.34 0.00 0.00 43.02 41.73 1jh3 s PHE 25 CO 0.27 0.45 -0.02 0.54 -1.46 0.00 0.00 175.22 175.00 1jh3 s VAL 26 N -2.32 0.28 0.37 3.12 0.11 -1.26 -0.40 120.40 120.32 1jh3 s VAL 26 Ca 0.21 -0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.22 1jh3 s VAL 26 Cb -0.05 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.49 1jh3 s VAL 26 CO 0.09 0.13 0.04 0.00 -3.33 0.00 0.00 175.10 172.03 1jh3 n HIS 27 N 3.65 0.64 -0.86 1.54 1.44 -0.66 -4.93 115.22 116.04 1jh3 n HIS 27 Ca -0.21 -2.01 -0.17 0.00 -2.01 0.00 0.00 57.72 53.32 1jh3 n HIS 27 Cb 0.54 -0.17 0.04 0.00 0.12 0.00 0.00 29.99 30.52 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 -0.90 1.81 -0.64 -1.40 1.02 -1.26 0.11 120.64 119.38 1jh3 n GLU 28 Ca -0.12 -1.60 0.09 0.00 -0.02 0.00 0.00 57.16 55.50 1jh3 n GLU 28 Cb 0.50 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.28 -1.15 0.56 0.62 0.00 -1.26 -4.82 105.19 99.41 1jh3 n GLY 29 Ca 0.31 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.94 -3.79 3.76 -0.02 0.00 -1.26 -4.98 105.19 96.96 1jh3 n GLY 30 Ca 0.00 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.52 5.45 -0.18 1.61 -4.77 -1.26 -4.91 116.67 111.09 1jh3 s ASP 31 Ca 0.00 2.52 -0.14 0.00 -3.30 0.00 0.00 52.55 51.63 1jh3 s ASP 31 Cb 0.00 -2.61 0.05 0.00 -1.09 0.00 0.00 42.92 39.27 1jh3 s ASP 31 CO 0.00 -1.43 0.46 -0.69 0.70 0.00 0.00 175.17 174.21 1jh3 s VAL 32 N -1.46 -0.01 0.48 2.11 1.01 -1.26 -4.97 120.40 116.29 1jh3 s VAL 32 Ca 0.72 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.49 1jh3 s VAL 32 Cb -0.34 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.32 1jh3 s VAL 32 CO 0.39 0.01 1.27 -2.16 0.00 0.00 0.00 175.10 174.61 1jh3 s PRO 33 N 0.65 3.59 0.37 2.72 0.04 -1.26 -4.11 135.00 137.00 1jh3 s PRO 33 Ca -0.03 2.04 0.19 0.00 0.04 0.00 0.00 61.00 63.24 1jh3 s PRO 33 Cb -0.05 -2.45 1.21 0.00 0.04 0.00 0.00 34.50 33.26 1jh3 s PRO 33 CO -0.04 -0.76 1.64 1.37 0.04 0.00 0.00 177.00 179.24 1jh3 h LEU 34 N 2.00 0.42 -0.12 -3.56 8.10 -1.80 0.99 115.31 121.34 1jh3 h LEU 34 Ca -0.50 0.20 0.00 0.00 0.11 0.00 0.00 57.88 57.69 1jh3 h LEU 34 Cb 1.27 0.17 0.00 0.00 -0.44 0.00 0.00 40.66 41.65 1jh3 h LEU 34 CO 0.60 -0.21 0.00 0.55 -4.11 0.00 0.00 178.44 175.26 1jh3 n VAL 35 N -5.03 0.52 -0.11 0.15 3.14 -1.26 -1.62 118.33 114.12 1jh3 n VAL 35 Ca 0.34 -0.07 -0.12 0.00 -2.96 0.00 0.00 64.34 61.53 1jh3 n VAL 35 Cb 1.14 -0.70 -0.15 0.00 -1.06 0.00 0.00 33.84 33.06 1jh3 n VAL 35 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1jh3 n GLU 36 N -1.98 0.69 0.12 1.45 -0.58 0.15 -4.15 120.64 116.34 1jh3 n GLU 36 Ca 0.05 0.03 -0.03 0.00 -0.42 0.00 0.00 57.16 56.80 1jh3 n GLU 36 Cb 0.35 -1.52 0.15 0.00 -0.57 0.00 0.00 31.44 29.85 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 0.00 0.08 -0.35 -4.62 8.10 -0.84 0.15 115.31 117.82 1jh3 h LEU 37 Ca -0.56 -0.05 -0.18 0.00 0.11 0.00 0.00 57.88 57.21 1jh3 h LEU 37 Cb 2.15 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 42.33 1jh3 h LEU 37 CO -0.00 0.68 -0.83 0.17 -4.11 0.00 0.00 178.44 174.35 1jh3 h LEU 38 N 0.05 0.13 -0.09 0.17 -0.00 -1.54 0.25 115.31 114.28 1jh3 h LEU 38 Ca -0.01 -0.10 -0.08 0.00 -0.00 0.00 0.00 57.88 57.69 1jh3 h LEU 38 Cb 1.12 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1jh3 h LEU 38 CO 0.09 0.90 -0.26 1.62 -0.00 0.00 0.00 178.44 180.79 1jh3 h VAL 39 N 0.06 1.41 -0.53 0.15 3.04 -1.56 0.26 116.25 119.06 1jh3 h VAL 39 Ca -0.03 -1.60 -0.07 0.00 -1.01 0.00 0.00 66.70 64.00 1jh3 h VAL 39 Cb 1.45 2.20 -0.02 0.00 -2.01 0.00 0.00 31.29 32.91 1jh3 h VAL 39 CO 0.12 0.46 0.05 -1.28 -1.01 0.00 0.00 177.57 175.90 1jh3 h SER 40 N -0.13 0.88 1.74 3.17 0.87 -0.75 -3.08 113.55 116.24 1jh3 h SER 40 Ca -0.01 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1jh3 h SER 40 Cb 0.87 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1jh3 h SER 40 CO 0.06 0.94 -0.07 0.00 -0.53 0.00 0.00 176.83 177.23 1jh3 h ALA 41 N 0.97 0.96 0.00 6.23 0.00 -0.40 -3.48 119.26 123.54 1jh3 h ALA 41 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1jh3 h ALA 41 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1jh3 h ALA 41 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1jh3 n GLY 42 N 1.18 1.48 0.10 0.00 0.00 0.65 -4.81 105.19 103.79 1jh3 n GLY 42 Ca 0.04 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 1.61 -1.78 -0.61 5.03 -1.12 -3.45 117.51 117.20 1jh3 h ILE 43 Ca 0.00 -2.32 -0.03 0.00 -0.12 0.00 0.00 64.86 62.39 1jh3 h ILE 43 Cb 0.31 3.14 -0.25 0.00 -3.03 0.00 0.00 36.82 36.99 1jh3 h ILE 43 CO 0.00 0.63 -0.34 -0.44 -0.68 0.00 0.00 178.15 177.32 1jh3 s SER 44 N -6.56 -0.56 0.27 1.72 0.01 -1.22 -4.97 113.70 102.39 1jh3 s SER 44 Ca -0.16 0.79 0.24 0.00 1.31 0.00 0.00 55.95 58.13 1jh3 s SER 44 Cb -0.00 1.66 0.47 0.00 0.21 0.00 0.00 66.02 68.35 1jh3 s SER 44 CO 0.76 -0.26 1.55 1.55 0.41 0.00 0.00 173.24 177.25 1jh3 h PRO 45 N 8.10 0.00 -5.88 12.44 0.13 -1.85 -3.35 132.00 141.60 1jh3 h PRO 45 Ca -0.19 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.34 1jh3 h PRO 45 Cb 1.14 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 1jh3 h PRO 45 CO 0.21 0.00 0.47 0.45 -0.23 0.00 0.00 178.00 178.90 1jh3 s SER 46 N -5.13 6.68 0.35 1.44 0.15 -1.26 -4.92 113.70 111.01 1jh3 s SER 46 Ca 0.07 0.64 0.08 0.00 0.70 0.00 0.00 55.95 57.44 1jh3 s SER 46 Cb 0.10 -2.43 0.78 0.00 -1.71 0.00 0.00 66.02 62.76 1jh3 s SER 46 CO 0.67 -0.70 1.90 0.50 1.20 0.00 0.00 173.24 176.80 1jh3 h LYS 47 N 8.23 0.71 -0.32 5.44 1.63 -1.98 0.26 116.57 130.54 1jh3 h LYS 47 Ca -0.24 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.41 1jh3 h LYS 47 Cb 1.09 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 1jh3 h LYS 47 CO 0.92 0.47 -0.22 -0.09 -3.45 0.00 0.00 179.45 177.07 1jh3 h ARG 48 N 0.73 0.71 0.19 1.90 1.12 -1.98 0.07 114.38 117.12 1jh3 h ARG 48 Ca 0.40 -0.34 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 1jh3 h ARG 48 Cb 0.55 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 1jh3 h ARG 48 CO -0.17 0.95 -0.09 0.37 -3.11 0.00 0.00 179.97 177.92 1jh3 h GLN 49 N 0.47 -0.24 -0.39 0.20 5.75 -1.35 -1.80 115.11 117.75 1jh3 h GLN 49 Ca 0.06 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.66 1jh3 h GLN 49 Cb 0.78 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.30 1jh3 h GLN 49 CO 0.06 -0.09 -0.18 0.00 -2.65 0.00 0.00 178.83 175.96 1jh3 h ALA 50 N 0.47 0.11 -0.43 3.38 0.00 -0.59 0.24 119.26 122.44 1jh3 h ALA 50 Ca -0.03 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1jh3 h ALA 50 Cb 0.26 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 1jh3 h ALA 50 CO 0.04 -0.55 0.03 0.00 0.00 0.00 0.00 179.25 178.77 1jh3 h ARG 51 N -0.11 0.14 0.03 0.00 3.08 -0.71 0.36 114.38 117.17 1jh3 h ARG 51 Ca 0.19 -0.01 -0.22 0.00 0.07 0.00 0.00 59.98 60.02 1jh3 h ARG 51 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1jh3 h ARG 51 CO -0.46 0.09 -1.00 1.49 -1.07 0.00 0.00 179.97 179.02 1jh3 h GLU 52 N 0.14 0.13 0.00 0.04 4.81 -0.62 -0.65 114.58 118.44 1jh3 h GLU 52 Ca 0.21 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1jh3 h GLU 52 Cb 0.29 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1jh3 h GLU 52 CO -0.33 1.02 0.00 -0.44 -0.73 0.00 0.00 179.01 178.53 1jh3 h ASP 53 N 0.05 0.00 0.00 1.04 3.32 -0.04 0.85 116.42 121.64 1jh3 h ASP 53 Ca -0.05 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1jh3 h ASP 53 Cb 1.70 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.24 1jh3 h ASP 53 CO 0.15 0.00 -0.82 -0.38 -1.72 0.00 0.00 179.24 176.46 1jh3 n ILE 54 N -2.72 1.46 0.87 0.35 -0.00 0.07 -4.43 119.36 114.97 1jh3 n ILE 54 Ca -0.01 0.12 0.10 0.00 -0.00 0.00 0.00 62.75 62.95 1jh3 n ILE 54 Cb 0.11 -2.25 0.48 0.00 -0.00 0.00 0.00 39.64 37.98 1jh3 n ILE 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1jh3 n GLN 55 N -4.54 0.21 -2.66 0.38 6.02 -0.28 -4.34 117.38 112.18 1jh3 n GLN 55 Ca -0.18 0.12 -0.40 0.00 -0.01 0.00 0.00 57.00 56.53 1jh3 n GLN 55 Cb 0.44 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.67 7.50 0.00 1.08 0.01 0.26 -4.89 114.94 116.23 1jh3 s ASN 56 Ca 0.17 2.00 -0.03 0.00 -0.71 0.00 0.00 52.86 54.29 1jh3 s ASN 56 Cb 0.13 -2.61 -0.14 0.00 0.41 0.00 0.00 41.25 39.04 1jh3 s ASN 56 CO 0.31 0.01 2.63 0.61 -1.51 0.00 0.00 177.10 179.16 1jh3 n GLY 57 N 1.64 2.53 0.02 0.66 0.00 -1.26 -2.16 105.19 106.63 1jh3 n GLY 57 Ca -0.00 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.39 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 2.17 1.74 -3.68 4.61 0.00 -1.26 -4.86 120.51 119.22 1jh3 n ALA 58 Ca 0.23 -0.97 -0.37 0.00 0.00 0.00 0.00 53.44 52.32 1jh3 n ALA 58 Cb 0.65 -0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.82 3.85 -0.19 0.00 -1.16 -0.92 -0.17 121.20 121.79 1jh3 s ILE 59 Ca 0.02 -2.77 -0.27 0.00 -0.51 0.00 0.00 60.65 57.12 1jh3 s ILE 59 Cb 0.02 -3.51 -0.01 0.00 0.61 0.00 0.00 42.46 39.58 1jh3 s ILE 59 CO 0.00 -0.87 0.91 -0.31 -2.81 0.00 0.00 174.94 171.86 1jh3 s TYR 60 N 0.15 3.39 -0.08 3.50 2.02 -0.53 -1.70 117.35 124.09 1jh3 s TYR 60 Ca 0.16 1.33 0.03 0.00 -0.37 0.00 0.00 57.07 58.21 1jh3 s TYR 60 Cb -0.20 -3.11 -0.02 0.00 -0.40 0.00 0.00 41.96 38.23 1jh3 s TYR 60 CO -0.04 -0.34 -0.16 0.08 -1.57 0.00 0.00 175.55 173.53 1jh3 s VAL 61 N 2.56 2.86 0.00 0.71 1.01 0.12 0.19 120.40 127.85 1jh3 s VAL 61 Ca 0.40 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1jh3 s VAL 61 Cb -0.16 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1jh3 s VAL 61 CO 0.10 0.57 0.00 0.59 0.00 0.00 0.00 175.10 176.36 1jh3 n ASN 62 N 2.83 0.00 0.00 3.32 5.03 -0.51 -1.62 115.26 124.32 1jh3 n ASN 62 Ca -0.18 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.27 1jh3 n ASN 62 Cb 0.52 -0.77 0.00 0.00 -1.02 0.00 0.00 39.78 38.52 1jh3 n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jh3 n GLY 63 N -1.35 0.03 3.16 7.41 0.00 -1.26 -4.99 105.19 108.19 1jh3 n GLY 63 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.64 -0.47 1.61 -1.05 -0.64 -5.02 118.70 113.77 1jh3 s GLU 64 Ca 0.00 -0.59 -0.28 0.00 -0.15 0.00 0.00 54.97 53.96 1jh3 s GLU 64 Cb 0.00 0.26 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 1jh3 s GLU 64 CO 0.00 -0.17 1.75 0.50 0.95 0.00 0.00 175.26 178.29 1jh3 s ARG 65 N -2.29 3.07 -0.27 -4.83 3.00 -1.26 0.14 118.95 116.49 1jh3 s ARG 65 Ca -0.07 0.96 -0.02 0.00 -1.00 0.00 0.00 55.73 55.60 1jh3 s ARG 65 Cb -0.02 -4.25 0.09 0.00 0.00 0.00 0.00 34.95 30.76 1jh3 s ARG 65 CO -0.03 -2.19 0.09 -0.51 0.00 0.00 0.00 175.30 172.66 1jh3 s LEU 66 N 7.57 1.59 -0.25 -0.88 1.43 -0.69 -4.92 118.68 122.52 1jh3 s LEU 66 Ca 0.70 -1.34 0.15 0.00 -1.03 0.00 0.00 54.13 52.61 1jh3 s LEU 66 Cb -0.16 -0.68 0.47 0.00 0.03 0.00 0.00 46.19 45.85 1jh3 s LEU 66 CO 0.28 -0.39 1.16 0.00 0.23 0.00 0.00 176.35 177.63 1jh3 n GLN 67 N 4.99 2.52 -3.96 1.70 0.00 -1.26 -4.71 117.38 116.66 1jh3 n GLN 67 Ca -0.05 -3.72 -0.10 0.00 0.00 0.00 0.00 57.00 53.13 1jh3 n GLN 67 Cb 0.43 -1.83 -0.12 0.00 0.00 0.00 0.00 30.24 28.72 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 -3.55 0.22 0.34 2.61 -1.08 -1.26 -4.32 116.67 109.61 1jh3 s ASP 68 Ca 0.40 -0.35 0.02 0.00 -0.52 0.00 0.00 52.55 52.10 1jh3 s ASP 68 Cb 0.37 0.06 0.60 0.00 -1.46 0.00 0.00 42.92 42.50 1jh3 s ASP 68 CO -0.01 -0.20 1.98 1.62 0.52 0.00 0.00 175.17 179.08 1jh3 h VAL 69 N 4.80 1.13 0.00 1.11 3.04 -1.97 -0.96 116.25 123.39 1jh3 h VAL 69 Ca -0.30 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1jh3 h VAL 69 Cb 1.21 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 1jh3 h VAL 69 CO 0.44 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 177.78 1jh3 n GLY 70 N -1.43 -1.40 0.10 3.17 0.00 -1.26 -3.37 105.19 101.00 1jh3 n GLY 70 Ca 0.09 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1jh3 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jh3 h ALA 71 N 2.55 -0.11 -3.14 4.61 0.00 -1.56 -3.47 119.26 118.14 1jh3 h ALA 71 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 1jh3 h ALA 71 Cb 0.48 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.01 1jh3 h ALA 71 CO 0.00 -0.15 -0.54 0.42 0.00 0.00 0.00 179.25 178.99 1jh3 s ILE 72 N -2.65 -0.04 0.00 0.00 1.01 -1.11 -4.74 121.20 113.67 1jh3 s ILE 72 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1jh3 s ILE 72 Cb -0.01 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1jh3 s ILE 72 CO 0.42 0.06 0.00 0.18 0.00 0.00 0.00 174.94 175.61 1jh3 n LEU 73 N 4.16 0.00 -4.76 2.97 4.77 -1.26 -3.31 117.00 119.56 1jh3 n LEU 73 Ca -0.25 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.40 1jh3 n LEU 73 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1jh3 n LEU 73 CO 0.16 -0.47 -0.25 0.42 -1.33 0.00 0.00 177.39 175.91 1jh3 s THR 74 N -0.95 1.13 0.41 -5.08 -4.23 -1.26 -4.29 115.64 101.37 1jh3 s THR 74 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1jh3 s THR 74 Cb 0.00 -2.14 0.27 0.00 1.34 0.00 0.00 72.50 71.98 1jh3 s THR 74 CO 0.00 0.00 2.05 0.00 -0.54 0.00 0.00 174.62 176.13 1jh3 h ALA 75 N 1.34 1.73 0.00 3.99 0.00 -1.88 0.19 119.26 124.64 1jh3 h ALA 75 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jh3 h ALA 75 Cb 1.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1jh3 h ALA 75 CO 0.74 0.23 -0.12 -1.91 0.00 0.00 0.00 179.25 178.19 1jh3 n GLU 76 N -4.47 0.12 0.00 0.00 0.00 -1.26 -1.02 120.64 114.01 1jh3 n GLU 76 Ca 0.04 0.08 0.14 0.00 0.00 0.00 0.00 57.16 57.43 1jh3 n GLU 76 Cb 0.10 -1.63 0.64 0.00 0.00 0.00 0.00 31.44 30.55 1jh3 n GLU 76 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1jh3 n HIS 77 N -1.83 0.00 0.00 4.31 -0.00 -0.00 -4.56 115.22 113.14 1jh3 n HIS 77 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1jh3 n HIS 77 Cb 0.38 -0.04 0.00 0.00 -0.12 0.00 0.00 29.99 30.21 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 -0.40 0.00 -0.51 1.57 0.00 -0.85 -4.48 116.66 111.98 1jh3 n ARG 78 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.99 1jh3 n ARG 78 Cb 0.28 -0.01 0.03 0.00 0.00 0.00 0.00 32.46 32.76 1jh3 n ARG 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jh3 n LEU 79 N -1.21 0.00 0.06 6.15 4.77 -0.19 -4.94 117.00 121.64 1jh3 n LEU 79 Ca 0.00 -0.29 0.02 0.00 -0.03 0.00 0.00 56.01 55.71 1jh3 n LEU 79 Cb 0.00 -0.16 0.09 0.00 -2.33 0.00 0.00 43.42 41.03 1jh3 n LEU 79 CO 0.00 -0.64 0.60 -1.84 -1.33 0.00 0.00 177.39 174.18 1jh3 n GLU 80 N -1.44 0.02 -0.36 3.23 0.28 -1.26 -4.08 120.64 117.03 1jh3 n GLU 80 Ca 0.03 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.36 1jh3 n GLU 80 Cb 0.10 -1.90 0.00 0.00 1.43 0.00 0.00 31.44 31.07 1jh3 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jh3 n GLY 81 N -1.24 0.09 0.00 -1.84 0.00 -1.20 -4.79 105.19 96.20 1jh3 n GLY 81 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.09 0.00 -0.44 1.61 5.12 -1.26 -4.85 116.66 116.75 1jh3 n ARG 82 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1jh3 n ARG 82 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1jh3 n ARG 82 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1jh3 n PHE 83 N -0.84 0.00 -3.66 -1.55 3.72 -1.26 -4.38 117.46 109.48 1jh3 n PHE 83 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1jh3 n PHE 83 Cb 0.00 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.46 1jh3 n PHE 83 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1jh3 s THR 84 N -0.14 -0.00 -0.31 4.37 2.01 0.96 -4.43 115.64 118.09 1jh3 s THR 84 Ca 0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 1jh3 s THR 84 Cb 0.00 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1jh3 s THR 84 CO 0.00 0.00 0.10 -0.69 -0.69 0.00 0.00 174.62 173.34 1jh3 s VAL 85 N 0.45 4.04 -0.05 3.82 1.01 -1.26 -1.01 120.40 127.41 1jh3 s VAL 85 Ca -0.01 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 1jh3 s VAL 85 Cb -0.05 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1jh3 s VAL 85 CO -0.01 -0.00 0.31 -0.63 0.00 0.00 0.00 175.10 174.77 1jh3 s ILE 86 N 1.50 5.20 -0.55 2.22 -1.09 -0.20 -1.42 121.20 126.86 1jh3 s ILE 86 Ca 0.02 0.61 0.04 0.00 -2.23 0.00 0.00 60.65 59.09 1jh3 s ILE 86 Cb -0.18 -3.60 0.16 0.00 -1.58 0.00 0.00 42.46 37.26 1jh3 s ILE 86 CO 0.03 0.59 0.38 -0.13 -1.23 0.00 0.00 174.94 174.58 1jh3 s ARG 87 N -1.02 1.71 -0.86 2.79 3.00 0.13 -0.98 118.95 123.72 1jh3 s ARG 87 Ca 0.20 -2.64 -0.25 0.00 0.00 0.00 0.00 55.73 53.05 1jh3 s ARG 87 Cb -0.15 -2.58 0.03 0.00 0.00 0.00 0.00 34.95 32.26 1jh3 s ARG 87 CO 0.10 -1.28 1.42 0.50 0.00 0.00 0.00 175.30 176.04 1jh3 s ARG 88 N -0.54 3.31 0.27 3.54 6.06 -0.16 -1.45 118.95 129.98 1jh3 s ARG 88 Ca 0.25 -0.59 -0.06 0.00 -2.50 0.00 0.00 55.73 52.84 1jh3 s ARG 88 Cb -0.08 -4.75 0.51 0.00 0.06 0.00 0.00 34.95 30.69 1jh3 s ARG 88 CO -0.13 -2.26 1.59 0.78 -2.50 0.00 0.00 175.30 172.77 1jh3 h GLY 89 N 13.33 0.86 2.00 8.12 0.00 -0.78 0.64 103.07 127.24 1jh3 h GLY 89 Ca -0.05 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1jh3 h GLY 89 CO 1.34 -0.38 -0.07 1.70 0.00 0.00 0.00 176.54 179.13 1jh3 h LYS 90 N 0.02 0.00 0.00 4.80 1.63 -1.92 -3.39 116.57 117.72 1jh3 h LYS 90 Ca 0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.28 1jh3 h LYS 90 Cb 0.84 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1jh3 h LYS 90 CO -0.88 0.07 0.00 1.17 -3.45 0.00 0.00 179.45 176.35 1jh3 n LYS 91 N -3.24 0.00 -0.27 1.90 3.00 0.15 -5.16 118.16 114.54 1jh3 n LYS 91 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1jh3 n LYS 91 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.32 1jh3 n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jh3 n LYS 92 N 0.00 0.00 -2.72 1.64 3.00 -0.79 -5.01 118.16 114.28 1jh3 n LYS 92 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1jh3 n LYS 92 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 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 -4.47 3.40 0.27 5.64 1.51 -1.26 -0.99 117.35 121.45 1jh3 s TYR 93 Ca 0.00 1.67 -0.02 0.00 -1.01 0.00 0.00 57.07 57.71 1jh3 s TYR 93 Cb 0.00 -2.96 -0.02 0.00 -0.11 0.00 0.00 41.96 38.87 1jh3 s TYR 93 CO 0.00 -0.18 0.31 0.71 -1.11 0.00 0.00 175.55 175.28 1jh3 s TYR 94 N -1.86 1.12 -0.01 2.71 1.51 -0.15 -4.90 117.35 115.76 1jh3 s TYR 94 Ca 0.58 -1.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.35 1jh3 s TYR 94 Cb -0.16 -0.34 0.00 0.00 -0.11 0.00 0.00 41.96 41.36 1jh3 s TYR 94 CO 0.20 -0.88 -0.05 -1.17 -1.11 0.00 0.00 175.55 172.54 1jh3 s LEU 95 N -3.20 1.80 -0.05 -1.29 2.96 -1.26 -1.03 118.68 116.61 1jh3 s LEU 95 Ca 0.34 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 1jh3 s LEU 95 Cb 0.03 -0.33 0.01 0.00 0.50 0.00 0.00 46.19 46.40 1jh3 s LEU 95 CO 0.17 0.03 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.50 1jh3 s ILE 96 N 0.17 0.93 0.25 6.68 -1.09 -0.18 -0.95 121.20 127.02 1jh3 s ILE 96 Ca -0.02 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.04 1jh3 s ILE 96 Cb -0.06 -0.86 -0.04 0.00 -1.58 0.00 0.00 42.46 39.93 1jh3 s ILE 96 CO -0.00 0.30 0.17 0.00 -1.23 0.00 0.00 174.94 174.18 1jh3 s ARG 97 N 0.55 1.41 0.41 2.79 1.70 0.47 -0.03 118.95 126.25 1jh3 s ARG 97 Ca -0.10 -1.78 0.07 0.00 -0.47 0.00 0.00 55.73 53.45 1jh3 s ARG 97 Cb -0.13 0.22 -0.06 0.00 -0.57 0.00 0.00 34.95 34.40 1jh3 s ARG 97 CO 0.02 -0.46 0.15 1.52 -1.08 0.00 0.00 175.30 175.44 1jh3 s TYR 98 N -3.88 2.59 -1.98 5.89 -0.85 -1.26 -1.65 117.35 116.21 1jh3 s TYR 98 Ca 0.39 -0.60 0.00 0.00 -0.52 0.00 0.00 57.07 56.34 1jh3 s TYR 98 Cb 0.06 -1.92 0.00 0.00 0.38 0.00 0.00 41.96 40.47 1jh3 s TYR 98 CO 0.17 0.24 0.50 0.00 -1.52 0.00 0.00 175.55 174.93