#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh3 n LEU 2 N 0.00 -0.45 -4.55 0.00 7.94 -1.26 -5.07 117.00 113.61 1jh3 n LEU 2 Ca 0.00 0.16 -0.33 0.00 -1.11 0.00 0.00 56.01 54.73 1jh3 n LEU 2 Cb 0.00 0.61 -0.05 0.00 0.53 0.00 0.00 43.42 44.51 1jh3 n LEU 2 CO 0.00 -0.46 1.92 0.49 -1.11 0.00 0.00 177.39 178.23 1jh3 n PHE 3 N -2.73 1.32 -2.80 1.96 3.01 -1.26 -4.78 117.46 112.19 1jh3 n PHE 3 Ca 0.00 0.11 -0.10 0.00 1.01 0.00 0.00 57.45 58.47 1jh3 n PHE 3 Cb 0.00 -2.60 0.06 0.00 -0.01 0.00 0.00 39.48 36.93 1jh3 n PHE 3 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1jh3 n SER 4 N 15.95 -0.58 0.00 4.37 3.41 -1.26 -4.79 113.62 130.73 1jh3 n SER 4 Ca 0.41 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1jh3 n SER 4 Cb 0.50 0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 1jh3 n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jh3 n GLY 5 N -0.06 0.95 0.08 5.00 0.00 -1.26 -4.66 105.19 105.23 1jh3 n GLY 5 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1jh3 n GLY 5 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1jh3 h ASP 6 N 0.00 -0.05 -0.66 1.61 3.58 -1.98 -3.35 116.42 115.57 1jh3 h ASP 6 Ca 0.00 -0.27 -0.41 0.00 0.42 0.00 0.00 57.03 56.78 1jh3 h ASP 6 Cb 0.00 0.01 -0.17 0.00 1.72 0.00 0.00 39.33 40.90 1jh3 h ASP 6 CO 0.00 0.57 0.48 2.30 -2.88 0.00 0.00 179.24 179.71 1jh3 n ILE 7 N -4.78 3.00 0.24 2.25 -5.35 -1.26 -4.67 119.36 108.79 1jh3 n ILE 7 Ca -0.03 -2.09 0.07 0.00 -0.27 0.00 0.00 62.75 60.43 1jh3 n ILE 7 Cb 0.15 -1.36 0.33 0.00 -1.74 0.00 0.00 39.64 37.02 1jh3 n ILE 7 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jh3 n ALA 8 N 0.27 1.31 -0.01 -1.28 0.00 -1.26 -0.61 120.51 118.93 1jh3 n ALA 8 Ca 0.38 0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.98 1jh3 n ALA 8 Cb 0.58 -1.22 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 1jh3 n ALA 8 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jh3 n ASN 9 N -1.85 0.25 -3.41 0.00 0.23 -1.26 -4.77 115.26 104.44 1jh3 n ASN 9 Ca 0.01 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.80 1jh3 n ASN 9 Cb 0.10 1.93 -0.09 0.00 -2.08 0.00 0.00 39.78 39.64 1jh3 n ASN 9 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jh3 n LEU 10 N -2.23 1.64 -4.87 -4.53 -0.00 0.22 -4.90 117.00 102.33 1jh3 n LEU 10 Ca -0.04 -4.96 -0.30 0.00 -0.00 0.00 0.00 56.01 50.72 1jh3 n LEU 10 Cb 0.55 -0.01 0.17 0.00 -0.00 0.00 0.00 43.42 44.13 1jh3 n LEU 10 CO 0.44 1.98 0.81 -0.89 -0.00 0.00 0.00 177.39 179.73 1jh3 s THR 11 N -1.41 1.95 0.08 1.47 2.01 -1.17 -4.66 115.64 113.91 1jh3 s THR 11 Ca 0.35 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1jh3 s THR 11 Cb 0.11 -2.91 -0.15 0.00 0.01 0.00 0.00 72.50 69.55 1jh3 s THR 11 CO -0.10 0.00 1.64 0.00 -0.69 0.00 0.00 174.62 175.47 1jh3 h ALA 12 N -1.62 -0.65 0.00 7.40 0.00 -1.96 0.64 119.26 123.07 1jh3 h ALA 12 Ca -0.45 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1jh3 h ALA 12 Cb 1.27 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1jh3 h ALA 12 CO 0.46 -0.88 -0.21 0.00 0.00 0.00 0.00 179.25 178.62 1jh3 h ALA 13 N -0.12 0.97 -0.14 0.00 0.00 -1.98 0.73 119.26 118.71 1jh3 h ALA 13 Ca -0.04 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1jh3 h ALA 13 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jh3 h ALA 13 CO 0.04 0.27 -0.59 0.93 0.00 0.00 0.00 179.25 179.90 1jh3 h GLU 14 N 0.00 0.47 0.11 0.00 3.07 -1.79 -1.93 114.58 114.51 1jh3 h GLU 14 Ca -0.00 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1jh3 h GLU 14 Cb 0.83 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1jh3 h GLU 14 CO 0.03 0.92 -0.05 0.82 -1.40 0.00 0.00 179.01 179.32 1jh3 h ILE 15 N 0.35 1.02 0.03 3.13 2.04 0.74 0.13 117.51 124.95 1jh3 h ILE 15 Ca -0.00 -1.31 0.03 0.00 1.00 0.00 0.00 64.86 64.58 1jh3 h ILE 15 Cb 1.12 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.91 1jh3 h ILE 15 CO 0.10 0.28 -0.22 -0.33 0.00 0.00 0.00 178.15 177.98 1jh3 h GLU 16 N -0.84 -0.35 -0.02 2.37 5.08 -0.90 1.00 114.58 120.91 1jh3 h GLU 16 Ca -0.01 0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1jh3 h GLU 16 Cb 0.56 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1jh3 h GLU 16 CO 0.02 -0.24 -0.68 0.37 -1.00 0.00 0.00 179.01 177.49 1jh3 h GLN 17 N -0.37 0.10 -0.38 2.33 5.75 -1.46 -0.04 115.11 121.05 1jh3 h GLN 17 Ca 0.05 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1jh3 h GLN 17 Cb 0.43 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 1jh3 h GLN 17 CO -0.18 0.74 0.11 0.78 -2.65 0.00 0.00 178.83 177.62 1jh3 h GLY 18 N 1.82 0.59 -0.07 2.39 0.00 -0.13 -3.21 103.07 104.45 1jh3 h GLY 18 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1jh3 h GLY 18 CO 0.10 0.28 -0.03 0.69 0.00 0.00 0.00 176.54 177.57 1jh3 n PHE 19 N -4.35 0.00 0.00 5.60 3.72 0.29 -4.79 117.46 117.94 1jh3 n PHE 19 Ca 0.02 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1jh3 n PHE 19 Cb 0.18 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 1jh3 n PHE 19 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1jh3 n LYS 20 N -0.39 0.00 0.10 -1.08 4.81 -0.04 -2.20 118.16 119.36 1jh3 n LYS 20 Ca 0.02 0.27 -0.04 0.00 -0.87 0.00 0.00 58.31 57.69 1jh3 n LYS 20 Cb 0.41 -1.51 -0.02 0.00 0.02 0.00 0.00 35.03 33.93 1jh3 n LYS 20 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1jh3 h ASP 21 N 0.00 0.00 -1.42 3.14 3.58 -1.86 -3.45 116.42 116.42 1jh3 h ASP 21 Ca 0.00 0.00 -0.44 0.00 0.42 0.00 0.00 57.03 57.01 1jh3 h ASP 21 Cb 0.02 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.08 1jh3 h ASP 21 CO 0.00 0.81 -0.27 -0.69 -2.88 0.00 0.00 179.24 176.20 1jh3 s VAL 22 N -2.96 2.89 1.11 2.25 1.01 -0.93 -5.12 120.40 118.66 1jh3 s VAL 22 Ca 0.01 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 1jh3 s VAL 22 Cb 0.10 -2.95 0.25 0.00 0.00 0.00 0.00 36.38 33.78 1jh3 s VAL 22 CO 0.79 0.00 1.17 -2.16 0.00 0.00 0.00 175.10 174.90 1jh3 s PRO 23 N -4.33 -0.54 0.05 2.72 0.04 -1.26 -4.93 135.00 126.75 1jh3 s PRO 23 Ca 0.54 -0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.51 1jh3 s PRO 23 Cb -0.09 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 1jh3 s PRO 23 CO 0.32 -3.25 -0.20 -1.54 0.04 0.00 0.00 177.00 172.38 1jh3 s SER 24 N -4.18 2.36 0.20 6.66 1.04 -1.26 -3.34 113.70 115.17 1jh3 s SER 24 Ca 0.71 -0.53 0.07 0.00 0.48 0.00 0.00 55.95 56.68 1jh3 s SER 24 Cb -0.08 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1jh3 s SER 24 CO 0.55 0.13 0.07 0.12 0.98 0.00 0.00 173.24 175.09 1jh3 s PHE 25 N -0.85 2.95 -0.03 5.02 5.36 0.17 -4.98 117.98 125.62 1jh3 s PHE 25 Ca 0.06 -0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1jh3 s PHE 25 Cb -0.09 -1.39 0.02 0.00 -0.34 0.00 0.00 43.02 41.22 1jh3 s PHE 25 CO 0.02 0.53 0.05 0.54 -1.46 0.00 0.00 175.22 174.90 1jh3 s VAL 26 N -1.88 -0.03 0.07 3.12 0.11 -1.25 -0.14 120.40 120.39 1jh3 s VAL 26 Ca 0.30 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.48 1jh3 s VAL 26 Cb -0.09 -0.10 -0.00 0.00 -1.53 0.00 0.00 36.38 34.66 1jh3 s VAL 26 CO 0.21 0.05 0.01 0.00 -3.33 0.00 0.00 175.10 172.04 1jh3 n HIS 27 N 3.75 0.09 -0.57 1.54 1.44 -0.65 -4.92 115.22 115.90 1jh3 n HIS 27 Ca -0.21 -0.37 0.10 0.00 -2.01 0.00 0.00 57.72 55.22 1jh3 n HIS 27 Cb 0.54 -0.02 0.36 0.00 0.12 0.00 0.00 29.99 30.99 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 -0.16 3.52 -2.53 -1.40 -0.58 -1.26 -0.28 120.64 117.96 1jh3 n GLU 28 Ca -0.02 -2.86 -0.23 0.00 -0.42 0.00 0.00 57.16 53.63 1jh3 n GLU 28 Cb 0.09 -1.83 0.07 0.00 -0.57 0.00 0.00 31.44 29.20 1jh3 n GLU 28 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1jh3 s GLY 29 N -0.92 1.78 0.00 0.62 0.00 -1.26 -4.88 107.32 102.65 1jh3 s GLY 29 Ca 0.52 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1jh3 s GLY 29 CO 0.27 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 173.01 1jh3 n GLY 30 N -2.63 -0.24 3.88 0.20 0.00 -1.26 -4.68 105.19 100.46 1jh3 n GLY 30 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.77 6.58 -0.03 1.61 -4.77 -1.26 -4.66 116.67 113.37 1jh3 s ASP 31 Ca 0.00 0.81 -0.29 0.00 -3.30 0.00 0.00 52.55 49.77 1jh3 s ASP 31 Cb 0.00 -2.18 0.08 0.00 -1.09 0.00 0.00 42.92 39.73 1jh3 s ASP 31 CO 0.00 -0.04 0.73 -0.69 0.70 0.00 0.00 175.17 175.87 1jh3 s VAL 32 N -1.77 0.00 0.36 2.11 1.01 -1.26 -4.98 120.40 115.87 1jh3 s VAL 32 Ca 0.45 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 62.15 1jh3 s VAL 32 Cb -0.11 -1.00 -0.12 0.00 0.00 0.00 0.00 36.38 35.15 1jh3 s VAL 32 CO 0.22 0.00 1.42 -2.65 0.00 0.00 0.00 175.10 174.09 1jh3 n PRO 33 N 0.61 2.46 -0.28 2.72 -0.02 -1.26 -4.01 135.00 135.22 1jh3 n PRO 33 Ca -0.17 0.86 0.28 0.00 -2.02 0.00 0.00 63.50 62.45 1jh3 n PRO 33 Cb 0.59 -2.54 0.64 0.00 -0.02 0.00 0.00 33.50 32.16 1jh3 n PRO 33 CO 0.00 0.00 0.00 1.37 1.98 0.00 0.00 175.50 178.85 1jh3 h LEU 34 N 2.92 0.19 -0.14 2.45 -0.00 -1.67 0.48 115.31 119.54 1jh3 h LEU 34 Ca -0.49 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1jh3 h LEU 34 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.92 1jh3 h LEU 34 CO 0.64 0.05 0.00 0.55 -0.00 0.00 0.00 178.44 179.68 1jh3 n VAL 35 N -4.39 0.60 -0.11 0.15 3.14 -1.26 -1.26 118.33 115.20 1jh3 n VAL 35 Ca 0.23 0.08 -0.20 0.00 -2.96 0.00 0.00 64.34 61.50 1jh3 n VAL 35 Cb 0.99 -0.82 -0.09 0.00 -1.06 0.00 0.00 33.84 32.86 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 -1.77 0.53 0.21 1.45 -0.58 0.06 -4.31 120.64 116.22 1jh3 n GLU 36 Ca 0.05 0.17 0.10 0.00 -0.42 0.00 0.00 57.16 57.05 1jh3 n GLU 36 Cb 0.28 -1.40 0.33 0.00 -0.57 0.00 0.00 31.44 30.08 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 -0.35 0.00 0.00 -4.62 8.10 -1.22 -0.60 115.31 116.62 1jh3 h LEU 37 Ca -0.54 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.37 1jh3 h LEU 37 Cb 1.66 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.87 1jh3 h LEU 37 CO -0.20 0.21 -0.85 0.17 -4.11 0.00 0.00 178.44 173.66 1jh3 h LEU 38 N 0.00 0.00 -0.04 0.17 -0.00 -1.42 0.21 115.31 114.22 1jh3 h LEU 38 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.84 1jh3 h LEU 38 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 1jh3 h LEU 38 CO 0.03 0.33 -0.10 0.58 -0.00 0.00 0.00 178.44 179.27 1jh3 h VAL 39 N 0.00 1.44 -0.37 0.15 2.07 -1.63 0.10 116.25 118.02 1jh3 h VAL 39 Ca -0.05 -1.46 -0.13 0.00 0.82 0.00 0.00 66.70 65.87 1jh3 h VAL 39 Cb 1.30 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 1jh3 h VAL 39 CO 0.03 0.40 -0.30 -1.28 0.02 0.00 0.00 177.57 176.45 1jh3 h SER 40 N -0.39 0.82 1.77 0.57 0.87 -1.15 -2.91 113.55 113.13 1jh3 h SER 40 Ca -0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1jh3 h SER 40 Cb 0.70 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1jh3 h SER 40 CO 0.02 1.06 0.00 0.00 -0.53 0.00 0.00 176.83 177.38 1jh3 h ALA 41 N 0.99 1.00 -0.08 6.23 0.00 -0.61 -3.47 119.26 123.32 1jh3 h ALA 41 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jh3 h ALA 41 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1jh3 h ALA 41 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1jh3 n GLY 42 N 1.02 1.40 0.07 0.00 0.00 -0.13 -4.88 105.19 102.68 1jh3 n GLY 42 Ca 0.04 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 1.73 -2.06 -0.61 5.03 -1.13 -3.44 117.51 117.03 1jh3 h ILE 43 Ca 0.00 -2.16 -0.22 0.00 -0.12 0.00 0.00 64.86 62.36 1jh3 h ILE 43 Cb 0.24 3.20 -0.32 0.00 -3.03 0.00 0.00 36.82 36.91 1jh3 h ILE 43 CO 0.00 0.56 -0.54 -0.44 -0.68 0.00 0.00 178.15 177.05 1jh3 s SER 44 N -6.15 0.73 0.33 1.72 0.01 -1.20 -5.00 113.70 104.14 1jh3 s SER 44 Ca -0.18 -0.09 0.24 0.00 1.31 0.00 0.00 55.95 57.23 1jh3 s SER 44 Cb -0.02 0.86 0.45 0.00 0.21 0.00 0.00 66.02 67.51 1jh3 s SER 44 CO 0.69 -0.32 1.59 1.55 0.41 0.00 0.00 173.24 177.16 1jh3 h PRO 45 N 8.22 0.00 -5.87 12.44 0.13 -1.84 -3.37 132.00 141.71 1jh3 h PRO 45 Ca -0.17 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.35 1jh3 h PRO 45 Cb 1.14 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.15 1jh3 h PRO 45 CO 0.28 0.00 0.55 0.45 -0.23 0.00 0.00 178.00 179.05 1jh3 s SER 46 N -5.54 6.36 0.54 1.44 0.15 -1.26 -4.92 113.70 110.46 1jh3 s SER 46 Ca 0.07 -0.31 0.34 0.00 0.70 0.00 0.00 55.95 56.76 1jh3 s SER 46 Cb 0.08 -2.43 1.85 0.00 -1.71 0.00 0.00 66.02 63.81 1jh3 s SER 46 CO 0.66 -1.19 2.04 0.50 1.20 0.00 0.00 173.24 176.45 1jh3 h LYS 47 N 9.27 0.00 0.02 5.44 3.64 -1.98 0.28 116.57 133.24 1jh3 h LYS 47 Ca -0.26 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 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 1.08 0.00 -0.01 -0.09 -2.27 0.00 0.00 179.45 178.16 1jh3 h ARG 48 N 0.00 -0.02 -0.80 1.90 1.12 -1.95 0.18 114.38 114.81 1jh3 h ARG 48 Ca 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 59.98 58.98 1jh3 h ARG 48 Cb 0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 29.97 29.99 1jh3 h ARG 48 CO 0.00 0.62 0.42 0.37 -3.11 0.00 0.00 179.97 178.27 1jh3 h GLN 49 N -0.69 0.66 0.18 0.20 -0.00 -1.18 -1.34 115.11 112.95 1jh3 h GLN 49 Ca -0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1jh3 h GLN 49 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.96 1jh3 h GLN 49 CO 0.00 0.44 -0.34 0.00 0.00 0.00 0.00 178.83 178.93 1jh3 h ALA 50 N 1.48 -0.92 0.00 3.38 0.00 -0.57 0.24 119.26 122.87 1jh3 h ALA 50 Ca 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1jh3 h ALA 50 Cb 0.45 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jh3 h ALA 50 CO -0.29 -0.97 -0.00 -0.09 0.00 0.00 0.00 179.25 177.89 1jh3 h ARG 51 N -0.56 0.00 0.00 0.00 2.43 0.09 0.38 114.38 116.72 1jh3 h ARG 51 Ca -0.02 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 1jh3 h ARG 51 Cb 0.53 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1jh3 h ARG 51 CO -0.13 0.00 -1.30 0.93 -1.51 0.00 0.00 179.97 177.96 1jh3 h GLU 52 N 0.00 0.00 0.00 0.20 5.08 -1.02 0.64 114.58 119.48 1jh3 h GLU 52 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jh3 h GLU 52 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jh3 h GLU 52 CO 0.00 0.77 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.33 1jh3 h ASP 53 N 0.00 0.00 0.00 1.42 5.19 0.31 0.18 116.42 123.52 1jh3 h ASP 53 Ca -0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 1jh3 h ASP 53 Cb 1.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.38 1jh3 h ASP 53 CO 0.11 0.00 -0.27 0.40 -3.12 0.00 0.00 179.24 176.36 1jh3 h ILE 54 N 0.00 0.00 0.00 0.35 5.03 -0.91 -3.41 117.51 118.57 1jh3 h ILE 54 Ca -0.00 -0.76 0.00 0.00 -0.12 0.00 0.00 64.86 63.98 1jh3 h ILE 54 Cb 0.13 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.92 1jh3 h ILE 54 CO 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.47 1jh3 n GLN 55 N -4.06 0.05 -2.88 2.37 6.02 0.21 -4.33 117.38 114.77 1jh3 n GLN 55 Ca -0.04 0.29 -0.40 0.00 -0.01 0.00 0.00 57.00 56.84 1jh3 n GLN 55 Cb 0.14 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 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 -2.75 7.37 0.00 1.08 0.01 0.58 -4.91 114.94 116.32 1jh3 s ASN 56 Ca 0.05 1.63 -0.00 0.00 -0.71 0.00 0.00 52.86 53.83 1jh3 s ASN 56 Cb 0.04 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.17 1jh3 s ASN 56 CO 0.11 0.02 1.45 0.61 -1.51 0.00 0.00 177.10 177.78 1jh3 n GLY 57 N 2.17 1.93 0.00 0.66 0.00 -1.26 -1.51 105.19 107.19 1jh3 n GLY 57 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.67 1.96 -2.99 4.61 0.00 -1.26 -4.92 120.51 119.58 1jh3 n ALA 58 Ca 0.01 -0.42 -0.44 0.00 0.00 0.00 0.00 53.44 52.59 1jh3 n ALA 58 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.04 4.60 -0.35 0.00 -1.16 -0.57 -0.16 121.20 123.52 1jh3 s ILE 59 Ca 0.00 -0.76 -0.24 0.00 -0.51 0.00 0.00 60.65 59.14 1jh3 s ILE 59 Cb 0.00 -4.59 0.01 0.00 0.61 0.00 0.00 42.46 38.49 1jh3 s ILE 59 CO 0.00 -1.29 0.80 -0.31 -2.81 0.00 0.00 174.94 171.33 1jh3 s TYR 60 N 3.27 3.13 -0.20 3.50 1.51 0.27 -1.57 117.35 127.25 1jh3 s TYR 60 Ca 0.17 0.64 -0.12 0.00 -1.01 0.00 0.00 57.07 56.75 1jh3 s TYR 60 Cb -0.20 -3.38 -0.05 0.00 -0.11 0.00 0.00 41.96 38.22 1jh3 s TYR 60 CO 0.07 -0.70 0.23 0.08 -1.11 0.00 0.00 175.55 174.11 1jh3 s VAL 61 N 3.11 5.33 0.00 0.71 1.01 0.91 -0.38 120.40 131.09 1jh3 s VAL 61 Ca 0.32 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1jh3 s VAL 61 Cb -0.13 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1jh3 s VAL 61 CO 0.16 0.36 0.00 0.59 0.00 0.00 0.00 175.10 176.21 1jh3 n ASN 62 N 3.94 0.00 0.00 3.32 5.03 -0.59 -0.69 115.26 126.27 1jh3 n ASN 62 Ca -0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.32 1jh3 n ASN 62 Cb 0.52 -0.70 0.00 0.00 -1.02 0.00 0.00 39.78 38.58 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 -1.74 0.91 3.41 7.41 0.00 -1.26 -4.95 105.19 108.96 1jh3 n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1jh3 n GLY 63 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jh3 s GLU 64 N 0.00 3.53 -0.19 1.61 2.56 0.14 -4.90 118.70 121.45 1jh3 s GLU 64 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 54.97 54.12 1jh3 s GLU 64 Cb 0.00 -3.00 -0.05 0.00 2.00 0.00 0.00 34.13 33.08 1jh3 s GLU 64 CO 0.00 -0.00 2.17 0.50 -0.56 0.00 0.00 175.26 177.37 1jh3 s ARG 65 N 1.00 3.27 -0.38 4.30 3.00 -1.26 -0.06 118.95 128.81 1jh3 s ARG 65 Ca 0.01 2.08 0.03 0.00 -1.00 0.00 0.00 55.73 56.85 1jh3 s ARG 65 Cb -0.15 -4.34 0.15 0.00 0.00 0.00 0.00 34.95 30.62 1jh3 s ARG 65 CO 0.01 -1.95 0.35 -0.51 0.00 0.00 0.00 175.30 173.20 1jh3 s LEU 66 N 7.76 0.19 -0.40 -0.88 1.43 -0.61 -4.92 118.68 121.25 1jh3 s LEU 66 Ca 0.98 -1.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1jh3 s LEU 66 Cb -0.34 0.36 0.40 0.00 0.03 0.00 0.00 46.19 46.64 1jh3 s LEU 66 CO 0.36 -0.25 1.84 0.00 0.23 0.00 0.00 176.35 178.53 1jh3 n GLN 67 N 4.06 2.05 -3.91 1.70 -0.00 -1.26 -4.73 117.38 115.29 1jh3 n GLN 67 Ca 0.13 -2.24 -0.11 0.00 -0.00 0.00 0.00 57.00 54.78 1jh3 n GLN 67 Cb 0.44 -1.88 -0.13 0.00 -0.00 0.00 0.00 30.24 28.68 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 -0.68 0.09 0.25 2.61 -1.08 -1.26 -4.22 116.67 112.37 1jh3 s ASP 68 Ca 0.43 -0.18 -0.02 0.00 -0.52 0.00 0.00 52.55 52.26 1jh3 s ASP 68 Cb 0.35 0.05 0.29 0.00 -1.46 0.00 0.00 42.92 42.16 1jh3 s ASP 68 CO 0.03 -0.12 1.70 1.62 0.52 0.00 0.00 175.17 178.92 1jh3 h VAL 69 N 4.93 1.26 0.00 1.11 3.04 -1.93 -0.70 116.25 123.97 1jh3 h VAL 69 Ca -0.27 -1.21 0.00 0.00 -1.01 0.00 0.00 66.70 64.21 1jh3 h VAL 69 Cb 1.21 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 1jh3 h VAL 69 CO 0.47 0.40 0.00 1.23 -1.01 0.00 0.00 177.57 178.66 1jh3 h GLY 70 N 0.98 0.00 0.00 3.17 0.00 -2.00 -3.17 103.07 102.05 1jh3 h GLY 70 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.25 1jh3 h GLY 70 CO 0.04 0.00 -1.13 0.00 0.00 0.00 0.00 176.54 175.45 1jh3 n ALA 71 N -1.86 0.72 -2.91 3.60 0.00 -0.88 -4.99 120.51 114.19 1jh3 n ALA 71 Ca 0.01 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 1jh3 n ALA 71 Cb 0.22 -0.36 -0.14 0.00 0.00 0.00 0.00 19.45 19.17 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 -2.35 0.19 0.00 0.00 1.09 -0.32 -4.90 121.20 114.90 1jh3 s ILE 72 Ca -0.26 -0.08 0.00 0.00 -1.10 0.00 0.00 60.65 59.21 1jh3 s ILE 72 Cb 0.05 -0.18 0.00 0.00 -1.06 0.00 0.00 42.46 41.28 1jh3 s ILE 72 CO 0.48 0.06 0.00 0.18 -0.10 0.00 0.00 174.94 175.56 1jh3 n LEU 73 N 3.13 0.00 0.00 2.97 4.77 -1.26 -3.30 117.00 123.31 1jh3 n LEU 73 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1jh3 n LEU 73 Cb 0.58 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1jh3 n LEU 73 CO 0.25 -0.24 0.00 0.35 -1.33 0.00 0.00 177.39 176.42 1jh3 n THR 74 N -1.89 0.00 -0.09 -5.08 -2.24 -1.26 -3.93 114.28 99.79 1jh3 n THR 74 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1jh3 n THR 74 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.00 0.26 0.00 6.98 0.00 -1.83 -3.26 119.26 122.41 1jh3 h ALA 75 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1jh3 h ALA 75 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jh3 h ALA 75 CO 0.00 0.73 0.00 -1.91 0.00 0.00 0.00 179.25 178.07 1jh3 n GLU 76 N -4.32 0.13 0.00 0.00 0.00 -1.26 -0.40 120.64 114.79 1jh3 n GLU 76 Ca -0.30 0.12 0.13 0.00 0.00 0.00 0.00 57.16 57.10 1jh3 n GLU 76 Cb 0.72 -1.50 0.40 0.00 0.00 0.00 0.00 31.44 31.06 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 -1.41 0.00 0.00 4.31 -0.00 -1.26 -4.68 115.22 112.19 1jh3 n HIS 77 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1jh3 n HIS 77 Cb 0.21 -0.31 0.00 0.00 -0.12 0.00 0.00 29.99 29.77 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 -1.41 0.00 -0.53 1.57 0.00 -0.09 -4.77 116.66 111.42 1jh3 n ARG 78 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1jh3 n ARG 78 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.79 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 -2.22 0.00 0.00 6.15 -0.00 0.47 -4.96 117.00 116.45 1jh3 n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jh3 n LEU 79 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1jh3 n LEU 79 CO 0.00 -0.48 0.33 -1.84 -0.00 0.00 0.00 177.39 175.41 1jh3 n GLU 80 N -0.95 0.00 -0.41 1.47 0.28 -1.26 -4.17 120.64 115.60 1jh3 n GLU 80 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.16 57.17 1jh3 n GLU 80 Cb 0.00 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.36 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 -1.16 0.36 1.70 -1.84 0.00 -1.21 -4.80 105.19 98.25 1jh3 n GLY 81 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.16 0.00 -3.47 1.61 1.74 -1.26 -4.83 116.66 110.29 1jh3 n ARG 82 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1jh3 n ARG 82 Cb 0.02 -0.16 -0.02 0.00 -1.02 0.00 0.00 32.46 31.28 1jh3 n ARG 82 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1jh3 n PHE 83 N -3.44 -1.26 -3.95 -1.55 3.72 -1.26 -4.80 117.46 104.92 1jh3 n PHE 83 Ca 0.00 -1.85 -0.09 0.00 -0.05 0.00 0.00 57.45 55.46 1jh3 n PHE 83 Cb 0.01 0.45 -0.10 0.00 -0.94 0.00 0.00 39.48 38.90 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 -2.72 0.13 -0.05 4.37 2.01 -0.03 -4.30 115.64 115.05 1jh3 s THR 84 Ca 0.23 -1.09 0.04 0.00 0.31 0.00 0.00 61.69 61.19 1jh3 s THR 84 Cb -0.01 -0.78 -0.00 0.00 0.01 0.00 0.00 72.50 71.71 1jh3 s THR 84 CO 0.16 -0.60 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.62 1jh3 s VAL 85 N -2.38 1.59 -0.40 3.82 1.01 -1.26 -0.83 120.40 121.94 1jh3 s VAL 85 Ca -0.07 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1jh3 s VAL 85 Cb -0.03 -1.37 0.12 0.00 0.00 0.00 0.00 36.38 35.10 1jh3 s VAL 85 CO -0.04 0.45 0.15 -0.63 0.00 0.00 0.00 175.10 175.04 1jh3 s ILE 86 N 0.07 1.79 -0.96 2.22 -1.09 0.33 -1.54 121.20 122.01 1jh3 s ILE 86 Ca -0.06 -2.39 -0.18 0.00 -2.23 0.00 0.00 60.65 55.79 1jh3 s ILE 86 Cb -0.13 -2.29 0.13 0.00 -1.58 0.00 0.00 42.46 38.59 1jh3 s ILE 86 CO 0.03 -0.74 1.17 -0.13 -1.23 0.00 0.00 174.94 174.05 1jh3 s ARG 87 N 0.67 3.66 -0.23 2.79 0.52 0.49 -0.75 118.95 126.10 1jh3 s ARG 87 Ca 0.14 -1.84 -0.29 0.00 -0.52 0.00 0.00 55.73 53.21 1jh3 s ARG 87 Cb -0.22 -4.95 0.01 0.00 0.52 0.00 0.00 34.95 30.32 1jh3 s ARG 87 CO -0.08 -1.78 1.04 0.50 0.02 0.00 0.00 175.30 174.99 1jh3 s ARG 88 N 2.61 4.26 0.63 3.54 6.06 -0.50 -0.57 118.95 134.98 1jh3 s ARG 88 Ca 0.34 1.36 0.38 0.00 -2.50 0.00 0.00 55.73 55.31 1jh3 s ARG 88 Cb -0.04 -3.64 2.13 0.00 0.06 0.00 0.00 34.95 33.46 1jh3 s ARG 88 CO -0.08 -0.62 2.30 0.78 -2.50 0.00 0.00 175.30 175.18 1jh3 h GLY 89 N 9.41 0.00 1.24 8.12 0.00 -0.84 0.92 103.07 121.92 1jh3 h GLY 89 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1jh3 h GLY 89 CO 0.98 0.00 -0.02 1.17 0.00 0.00 0.00 176.54 178.67 1jh3 n LYS 90 N -3.39 0.67 0.00 4.80 0.00 -1.26 -4.85 118.16 114.13 1jh3 n LYS 90 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.22 1jh3 n LYS 90 Cb 0.09 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.62 1jh3 n LYS 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1jh3 n LYS 91 N -1.11 0.00 0.00 1.64 3.00 0.30 -5.20 118.16 116.80 1jh3 n LYS 91 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 1jh3 n LYS 91 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.24 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 2.35 -3.12 1.64 3.00 -1.13 -4.78 118.16 116.11 1jh3 n LYS 92 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.86 1jh3 n LYS 92 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.02 1jh3 n LYS 92 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1jh3 s TYR 93 N 0.21 3.70 0.73 5.64 -0.85 -1.24 -1.42 117.35 124.12 1jh3 s TYR 93 Ca 0.00 -2.12 -0.11 0.00 -0.52 0.00 0.00 57.07 54.31 1jh3 s TYR 93 Cb 0.00 -4.08 0.03 0.00 0.38 0.00 0.00 41.96 38.28 1jh3 s TYR 93 CO 0.00 -1.21 1.09 0.71 -1.52 0.00 0.00 175.55 174.62 1jh3 s TYR 94 N 0.73 3.19 -0.06 -3.49 1.51 0.07 -4.57 117.35 114.72 1jh3 s TYR 94 Ca 0.33 1.10 0.02 0.00 -1.01 0.00 0.00 57.07 57.51 1jh3 s TYR 94 Cb -0.07 -3.07 0.02 0.00 -0.11 0.00 0.00 41.96 38.73 1jh3 s TYR 94 CO -0.06 -1.33 -0.10 -1.17 -1.11 0.00 0.00 175.55 171.78 1jh3 s LEU 95 N -5.48 1.57 -0.11 -1.29 0.20 -1.21 -0.51 118.68 111.84 1jh3 s LEU 95 Ca 0.59 -0.25 0.01 0.00 0.69 0.00 0.00 54.13 55.16 1jh3 s LEU 95 Cb -0.12 -0.73 0.02 0.00 -0.43 0.00 0.00 46.19 44.93 1jh3 s LEU 95 CO 0.53 0.01 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.85 1jh3 s ILE 96 N 0.72 1.31 0.34 6.68 -1.09 -0.01 -0.66 121.20 128.50 1jh3 s ILE 96 Ca -0.14 -0.50 0.05 0.00 -2.23 0.00 0.00 60.65 57.83 1jh3 s ILE 96 Cb -0.15 -1.24 -0.02 0.00 -1.58 0.00 0.00 42.46 39.47 1jh3 s ILE 96 CO 0.03 0.41 0.18 -1.14 -1.23 0.00 0.00 174.94 173.19 1jh3 n ARG 97 N 4.53 0.51 -4.02 2.79 0.63 0.80 -0.85 116.66 121.05 1jh3 n ARG 97 Ca -0.17 -3.09 -0.13 0.00 -0.92 0.00 0.00 57.85 53.54 1jh3 n ARG 97 Cb 0.51 2.01 -0.13 0.00 0.45 0.00 0.00 32.46 35.29 1jh3 n ARG 97 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1jh3 s TYR 98 N -3.06 0.31 -2.15 -0.14 1.51 -1.26 -1.63 117.35 110.93 1jh3 s TYR 98 Ca 0.26 -0.19 0.31 0.00 -1.01 0.00 0.00 57.07 56.43 1jh3 s TYR 98 Cb 0.01 -0.20 1.65 0.00 -0.11 0.00 0.00 41.96 43.32 1jh3 s TYR 98 CO 0.18 -0.05 2.09 0.00 -1.11 0.00 0.00 175.55 176.66