#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 -0.85 0.29 0.00 1.98 -1.26 -4.89 118.68 113.95 1jh3 s LEU 2 Ca 0.00 0.18 0.01 0.00 -2.89 0.00 0.00 54.13 51.42 1jh3 s LEU 2 Cb 0.00 1.33 0.52 0.00 0.66 0.00 0.00 46.19 48.71 1jh3 s LEU 2 CO 0.00 -0.31 1.87 0.15 -1.89 0.00 0.00 176.35 176.18 1jh3 h PHE 3 N 8.14 1.11 -1.88 5.38 3.04 -2.04 -3.39 116.94 127.30 1jh3 h PHE 3 Ca -0.16 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.72 1jh3 h PHE 3 Cb 1.15 -0.36 -0.27 0.00 2.56 0.00 0.00 35.95 39.02 1jh3 h PHE 3 CO 0.16 0.52 -0.41 -1.12 -2.02 0.00 0.00 178.31 175.44 1jh3 s SER 4 N -5.86 -0.18 0.00 0.41 0.01 -1.26 -5.11 113.70 101.71 1jh3 s SER 4 Ca -0.12 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1jh3 s SER 4 Cb 0.21 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.82 1jh3 s SER 4 CO 0.81 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.79 1jh3 n GLY 5 N 5.38 -0.20 3.86 3.44 0.00 -1.26 -5.14 105.19 111.28 1jh3 n GLY 5 Ca -0.04 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1jh3 n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jh3 s ASP 6 N -4.00 5.22 -0.84 1.61 1.01 -1.26 -4.90 116.67 113.51 1jh3 s ASP 6 Ca 0.00 1.18 -0.25 0.00 0.71 0.00 0.00 52.55 54.19 1jh3 s ASP 6 Cb 0.00 -1.96 -0.08 0.00 1.01 0.00 0.00 42.92 41.89 1jh3 s ASP 6 CO 0.00 -1.49 2.10 0.27 0.21 0.00 0.00 175.17 176.26 1jh3 s ILE 7 N -3.31 3.29 -1.86 0.77 -5.25 -1.26 -4.74 121.20 108.85 1jh3 s ILE 7 Ca 0.59 -0.21 0.29 0.00 -0.99 0.00 0.00 60.65 60.33 1jh3 s ILE 7 Cb -0.12 -3.66 0.54 0.00 2.95 0.00 0.00 42.46 42.18 1jh3 s ILE 7 CO 0.52 -0.62 1.89 0.00 -1.79 0.00 0.00 174.94 174.95 1jh3 n ALA 8 N 15.48 2.73 0.15 2.27 0.00 -1.26 -3.08 120.51 136.79 1jh3 n ALA 8 Ca 0.41 -0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.59 1jh3 n ALA 8 Cb 0.46 -1.33 0.10 0.00 0.00 0.00 0.00 19.45 18.68 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 0.79 0.00 -0.54 0.00 2.35 -1.92 -3.01 115.58 113.25 1jh3 h ASN 9 Ca 0.00 0.00 -0.71 0.00 -0.55 0.00 0.00 56.30 55.04 1jh3 h ASN 9 Cb 0.32 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.64 1jh3 h ASN 9 CO 0.00 0.48 3.00 0.18 -1.65 0.00 0.00 177.43 179.44 1jh3 n LEU 10 N -3.29 7.78 -4.87 1.61 7.99 -1.18 -4.75 117.00 120.29 1jh3 n LEU 10 Ca 0.01 -4.50 -0.29 0.00 -0.01 0.00 0.00 56.01 51.22 1jh3 n LEU 10 Cb 0.68 -1.52 0.08 0.00 -0.11 0.00 0.00 43.42 42.56 1jh3 n LEU 10 CO 0.40 1.73 0.76 -0.89 -1.51 0.00 0.00 177.39 177.87 1jh3 s THR 11 N 1.24 2.54 -0.02 -5.08 2.01 -1.14 -4.84 115.64 110.34 1jh3 s THR 11 Ca 0.55 0.17 -0.25 0.00 0.31 0.00 0.00 61.69 62.47 1jh3 s THR 11 Cb 0.16 -3.11 -0.20 0.00 0.01 0.00 0.00 72.50 69.36 1jh3 s THR 11 CO -0.06 -0.23 1.23 0.00 -0.69 0.00 0.00 174.62 174.87 1jh3 h ALA 12 N -1.01 0.04 -0.21 7.40 0.00 -1.93 0.25 119.26 123.80 1jh3 h ALA 12 Ca -0.46 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.11 1jh3 h ALA 12 Cb 1.30 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1jh3 h ALA 12 CO 0.64 -0.16 -0.08 0.00 0.00 0.00 0.00 179.25 179.65 1jh3 h ALA 13 N 0.47 1.48 -0.15 0.00 0.00 -1.99 0.16 119.26 119.23 1jh3 h ALA 13 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 1jh3 h ALA 13 Cb 0.59 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1jh3 h ALA 13 CO 0.01 0.37 -0.76 1.49 0.00 0.00 0.00 179.25 180.35 1jh3 h GLU 14 N 0.31 0.76 0.10 0.00 4.57 -1.81 -1.16 114.58 117.35 1jh3 h GLU 14 Ca 0.07 -0.61 -0.01 0.00 -1.18 0.00 0.00 59.36 57.63 1jh3 h GLU 14 Cb 0.34 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1jh3 h GLU 14 CO 0.02 1.22 -0.05 0.82 -1.18 0.00 0.00 179.01 179.84 1jh3 h ILE 15 N 0.52 1.08 0.27 2.32 2.04 -0.30 0.20 117.51 123.63 1jh3 h ILE 15 Ca -0.05 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1jh3 h ILE 15 Cb 1.39 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.98 1jh3 h ILE 15 CO 0.16 0.18 -0.49 -0.33 0.00 0.00 0.00 178.15 177.67 1jh3 h GLU 16 N -0.48 -0.79 0.00 2.37 4.39 -0.88 0.16 114.58 119.35 1jh3 h GLU 16 Ca -0.01 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1jh3 h GLU 16 Cb 0.40 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1jh3 h GLU 16 CO 0.02 -0.53 0.00 1.96 -1.16 0.00 0.00 179.01 179.31 1jh3 h GLN 17 N -0.82 0.00 -0.36 2.33 1.08 -1.30 -1.62 115.11 114.42 1jh3 h GLN 17 Ca -0.02 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.03 1jh3 h GLN 17 Cb 0.78 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.20 1jh3 h GLN 17 CO -0.19 0.00 -0.38 0.78 -0.95 0.00 0.00 178.83 178.09 1jh3 h GLY 18 N 3.32 0.98 -0.09 3.46 0.00 0.03 -3.37 103.07 107.41 1jh3 h GLY 18 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 47.33 46.32 1jh3 h GLY 18 CO 0.00 0.92 0.00 0.69 0.00 0.00 0.00 176.54 178.15 1jh3 n PHE 19 N -4.09 0.02 0.00 5.60 3.72 0.50 -4.54 117.46 118.67 1jh3 n PHE 19 Ca -0.03 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 1jh3 n PHE 19 Cb 0.54 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1jh3 n PHE 19 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1jh3 n LYS 20 N -0.24 0.00 0.15 -1.08 5.02 -0.62 -1.81 118.16 119.58 1jh3 n LYS 20 Ca 0.01 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 1jh3 n LYS 20 Cb 0.17 -0.98 0.09 0.00 -0.02 0.00 0.00 35.03 34.29 1jh3 n LYS 20 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1jh3 h ASP 21 N 0.50 0.00 -3.41 4.39 3.58 -1.87 -3.47 116.42 116.14 1jh3 h ASP 21 Ca 0.00 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.03 1jh3 h ASP 21 Cb 0.00 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 40.91 1jh3 h ASP 21 CO 0.00 0.47 -0.73 0.68 -2.88 0.00 0.00 179.24 176.78 1jh3 s VAL 22 N -3.08 1.57 1.20 2.25 -7.23 -0.75 -5.10 120.40 109.26 1jh3 s VAL 22 Ca 0.03 -2.17 -0.20 0.00 -1.81 0.00 0.00 61.98 57.84 1jh3 s VAL 22 Cb 0.08 -2.01 0.29 0.00 0.56 0.00 0.00 36.38 35.30 1jh3 s VAL 22 CO 0.73 -0.62 1.15 -2.16 -0.31 0.00 0.00 175.10 173.88 1jh3 s PRO 23 N -3.68 -1.23 0.43 4.82 0.04 -1.26 -4.83 135.00 129.29 1jh3 s PRO 23 Ca 0.21 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.04 1jh3 s PRO 23 Cb 0.00 -1.61 -0.00 0.00 0.04 0.00 0.00 34.50 32.93 1jh3 s PRO 23 CO 0.05 -3.69 0.02 -1.13 0.04 0.00 0.00 177.00 172.29 1jh3 n SER 24 N -4.71 2.95 -4.01 6.66 3.41 -1.26 -3.41 113.62 113.25 1jh3 n SER 24 Ca 0.15 -2.94 -0.08 0.00 -0.26 0.00 0.00 58.87 55.74 1jh3 n SER 24 Cb 0.60 0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 64.84 1jh3 n SER 24 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1jh3 s PHE 25 N -2.64 0.33 -0.06 7.33 5.36 0.14 -4.92 117.98 123.53 1jh3 s PHE 25 Ca 0.02 -0.70 -0.00 0.00 -0.96 0.00 0.00 56.93 55.29 1jh3 s PHE 25 Cb 0.00 -0.25 0.03 0.00 -0.34 0.00 0.00 43.02 42.46 1jh3 s PHE 25 CO 0.02 -0.29 -0.02 0.54 -1.46 0.00 0.00 175.22 174.01 1jh3 s VAL 26 N -2.53 0.43 0.43 3.12 0.11 -1.26 -0.51 120.40 120.19 1jh3 s VAL 26 Ca -0.06 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.08 1jh3 s VAL 26 Cb -0.02 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1jh3 s VAL 26 CO -0.05 0.23 0.24 -1.38 -3.33 0.00 0.00 175.10 170.81 1jh3 s HIS 27 N 1.43 2.52 -2.00 1.54 -3.43 -0.68 -4.89 115.29 109.79 1jh3 s HIS 27 Ca -0.03 -0.60 0.06 0.00 -0.80 0.00 0.00 55.06 53.69 1jh3 s HIS 27 Cb -0.13 -1.99 0.37 0.00 -1.43 0.00 0.00 32.58 29.39 1jh3 s HIS 27 CO -0.03 0.06 1.20 0.39 -2.00 0.00 0.00 174.74 174.36 1jh3 n GLU 28 N -1.35 0.96 0.00 -0.38 4.71 -1.26 -0.21 120.64 123.11 1jh3 n GLU 28 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1jh3 n GLU 28 Cb 0.64 -1.10 0.00 0.00 -1.01 0.00 0.00 31.44 29.97 1jh3 n GLU 28 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1jh3 n GLY 29 N 0.55 -2.93 0.00 0.62 0.00 -1.26 -4.73 105.19 97.44 1jh3 n GLY 29 Ca 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.64 -2.40 3.75 -0.02 0.00 -1.26 -4.96 105.19 99.66 1jh3 n GLY 30 Ca 0.00 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.68 6.74 -0.07 1.61 -4.77 -1.26 -4.87 116.67 112.36 1jh3 s ASP 31 Ca 0.00 2.63 -0.05 0.00 -3.30 0.00 0.00 52.55 51.82 1jh3 s ASP 31 Cb 0.00 -2.63 0.03 0.00 -1.09 0.00 0.00 42.92 39.23 1jh3 s ASP 31 CO 0.00 -0.61 0.18 -0.69 0.70 0.00 0.00 175.17 174.75 1jh3 s VAL 32 N -0.37 -0.02 0.31 2.11 1.01 -1.26 -4.93 120.40 117.25 1jh3 s VAL 32 Ca 0.55 0.06 -0.27 0.00 0.00 0.00 0.00 61.98 62.32 1jh3 s VAL 32 Cb -0.40 -0.27 -0.13 0.00 0.00 0.00 0.00 36.38 35.57 1jh3 s VAL 32 CO 0.46 0.02 1.01 -2.65 0.00 0.00 0.00 175.10 173.94 1jh3 n PRO 33 N 3.41 1.37 -0.27 2.72 -0.02 -1.26 -3.84 135.00 137.11 1jh3 n PRO 33 Ca -0.17 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 61.88 1jh3 n PRO 33 Cb 0.56 -1.88 0.23 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.93 0.03 0.00 2.45 8.10 -1.70 0.76 115.31 126.87 1jh3 h LEU 34 Ca -0.40 0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.75 1jh3 h LEU 34 Cb 1.34 0.22 0.00 0.00 -0.44 0.00 0.00 40.66 41.78 1jh3 h LEU 34 CO 0.60 -0.08 0.00 0.55 -4.11 0.00 0.00 178.44 175.40 1jh3 n VAL 35 N -5.18 0.00 0.00 0.15 3.14 -1.26 -1.50 118.33 113.69 1jh3 n VAL 35 Ca 0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 1jh3 n VAL 35 Cb 0.56 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 1jh3 n VAL 35 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1jh3 n GLU 36 N -0.60 0.00 0.23 1.45 4.07 -0.29 -4.57 120.64 120.93 1jh3 n GLU 36 Ca 0.04 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.24 1jh3 n GLU 36 Cb 0.02 -0.71 0.53 0.00 -0.06 0.00 0.00 31.44 31.22 1jh3 n GLU 36 CO 0.00 0.00 0.00 1.37 -0.06 0.00 0.00 177.13 178.44 1jh3 h LEU 37 N 0.00 0.00 -0.27 4.31 8.10 -0.76 0.16 115.31 126.85 1jh3 h LEU 37 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.79 1jh3 h LEU 37 Cb 0.97 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.19 1jh3 h LEU 37 CO 0.00 0.22 -0.88 0.17 -4.11 0.00 0.00 178.44 173.84 1jh3 h LEU 38 N 0.00 0.35 -0.07 0.17 -0.00 -1.50 0.18 115.31 114.45 1jh3 h LEU 38 Ca -0.00 -0.28 -0.08 0.00 -0.00 0.00 0.00 57.88 57.52 1jh3 h LEU 38 Cb 0.61 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1jh3 h LEU 38 CO 0.03 1.07 -0.27 1.62 -0.00 0.00 0.00 178.44 180.89 1jh3 h VAL 39 N 0.16 1.43 -0.36 0.15 3.04 -1.42 0.29 116.25 119.53 1jh3 h VAL 39 Ca -0.05 -1.67 -0.02 0.00 -1.01 0.00 0.00 66.70 63.95 1jh3 h VAL 39 Cb 1.50 2.31 -0.02 0.00 -2.01 0.00 0.00 31.29 33.07 1jh3 h VAL 39 CO 0.14 0.48 0.16 0.28 -1.01 0.00 0.00 177.57 177.62 1jh3 h SER 40 N -0.19 0.49 1.10 3.17 0.02 -1.11 -3.09 113.55 113.93 1jh3 h SER 40 Ca -0.01 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1jh3 h SER 40 Cb 0.91 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1jh3 h SER 40 CO 0.06 0.50 0.00 0.00 -1.14 0.00 0.00 176.83 176.25 1jh3 n ALA 41 N -2.28 2.21 -0.90 3.77 0.00 0.65 -4.90 120.51 119.05 1jh3 n ALA 41 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1jh3 n ALA 41 Cb 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1jh3 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jh3 n GLY 42 N 1.20 1.00 0.14 0.00 0.00 0.76 -4.84 105.19 103.46 1jh3 n GLY 42 Ca 0.06 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 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 1.40 -1.35 -0.61 5.03 -1.13 -3.42 117.51 117.42 1jh3 h ILE 43 Ca 0.00 -2.38 -0.07 0.00 -0.12 0.00 0.00 64.86 62.29 1jh3 h ILE 43 Cb 0.37 2.84 -0.25 0.00 -3.03 0.00 0.00 36.82 36.75 1jh3 h ILE 43 CO 0.00 0.70 -0.44 -0.44 -0.68 0.00 0.00 178.15 177.29 1jh3 s SER 44 N -7.10 -0.65 0.21 1.72 0.01 -1.24 -4.96 113.70 101.70 1jh3 s SER 44 Ca -0.12 0.03 0.26 0.00 1.31 0.00 0.00 55.95 57.43 1jh3 s SER 44 Cb 0.03 1.60 0.83 0.00 0.21 0.00 0.00 66.02 68.70 1jh3 s SER 44 CO 0.87 -0.32 1.78 -0.81 0.41 0.00 0.00 173.24 175.17 1jh3 n PRO 45 N 5.39 0.25 -2.67 12.44 -0.04 -1.26 -3.80 135.00 145.31 1jh3 n PRO 45 Ca 0.02 0.23 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 1jh3 n PRO 45 Cb 0.52 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 1jh3 n PRO 45 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jh3 s SER 46 N -4.49 6.52 0.42 3.54 0.15 -1.26 -4.90 113.70 113.68 1jh3 s SER 46 Ca 0.10 0.21 0.20 0.00 0.70 0.00 0.00 55.95 57.16 1jh3 s SER 46 Cb 0.12 -2.52 1.13 0.00 -1.71 0.00 0.00 66.02 63.05 1jh3 s SER 46 CO 0.58 -1.26 1.81 0.11 1.20 0.00 0.00 173.24 175.68 1jh3 h LYS 47 N 9.29 0.35 -0.13 5.44 6.56 -1.98 0.30 116.57 136.40 1jh3 h LYS 47 Ca -0.24 -0.02 -0.04 0.00 -1.06 0.00 0.00 60.65 59.29 1jh3 h LYS 47 Cb 1.06 -0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.64 1jh3 h LYS 47 CO 1.12 0.23 -0.06 -0.09 -2.06 0.00 0.00 179.45 178.59 1jh3 h ARG 48 N 0.36 0.27 -0.19 3.15 1.12 -1.95 -0.42 114.38 116.73 1jh3 h ARG 48 Ca 0.54 -0.12 0.04 0.00 -1.11 0.00 0.00 59.98 59.34 1jh3 h ARG 48 Cb 1.44 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.35 1jh3 h ARG 48 CO -0.22 0.60 -0.05 0.37 -3.11 0.00 0.00 179.97 177.56 1jh3 h GLN 49 N -0.08 0.00 -0.56 0.20 -0.00 -0.98 -1.66 115.11 112.03 1jh3 h GLN 49 Ca 0.03 -0.00 0.11 0.00 -0.00 0.00 0.00 58.65 58.79 1jh3 h GLN 49 Cb 0.52 -0.00 -0.09 0.00 0.00 0.00 0.00 27.48 27.91 1jh3 h GLN 49 CO 0.02 0.00 0.03 0.00 0.00 0.00 0.00 178.83 178.88 1jh3 h ALA 50 N 1.19 0.58 -0.83 3.38 0.00 -0.52 0.27 119.26 123.33 1jh3 h ALA 50 Ca 0.09 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1jh3 h ALA 50 Cb 0.14 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1jh3 h ALA 50 CO -0.20 -0.37 0.45 0.00 0.00 0.00 0.00 179.25 179.13 1jh3 h ARG 51 N 0.15 1.17 0.00 0.00 3.08 -0.45 0.11 114.38 118.43 1jh3 h ARG 51 Ca 0.29 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1jh3 h ARG 51 Cb 0.45 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1jh3 h ARG 51 CO -0.45 0.86 -0.45 1.49 -1.07 0.00 0.00 179.97 180.34 1jh3 h GLU 52 N 1.16 0.00 0.00 0.04 4.81 -0.40 0.24 114.58 120.43 1jh3 h GLU 52 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1jh3 h GLU 52 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1jh3 h GLU 52 CO -0.05 0.45 0.00 -0.44 -0.73 0.00 0.00 179.01 178.25 1jh3 h ASP 53 N 0.00 0.00 0.00 1.04 5.19 0.67 -0.27 116.42 123.05 1jh3 h ASP 53 Ca -0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.16 1jh3 h ASP 53 Cb 1.24 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.71 1jh3 h ASP 53 CO 0.06 0.00 -1.43 -0.38 -3.12 0.00 0.00 179.24 174.37 1jh3 n ILE 54 N -2.89 1.52 0.39 0.35 -0.00 0.28 -4.51 119.36 114.49 1jh3 n ILE 54 Ca -0.00 -0.06 0.10 0.00 -0.00 0.00 0.00 62.75 62.79 1jh3 n ILE 54 Cb 0.21 -2.06 0.44 0.00 -0.00 0.00 0.00 39.64 38.23 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 -4.42 0.14 -3.02 0.38 6.02 0.81 -4.30 117.38 113.00 1jh3 n GLN 55 Ca -0.33 0.41 -0.40 0.00 -0.01 0.00 0.00 57.00 56.67 1jh3 n GLN 55 Cb 0.67 -1.79 -0.05 0.00 1.02 0.00 0.00 30.24 30.09 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 -3.91 7.10 0.00 1.08 0.02 -0.15 -4.88 114.94 114.20 1jh3 s ASN 56 Ca 0.04 1.32 0.00 0.00 -1.02 0.00 0.00 52.86 53.20 1jh3 s ASN 56 Cb 0.09 -2.44 0.00 0.00 0.02 0.00 0.00 41.25 38.92 1jh3 s ASN 56 CO 0.34 -0.04 0.21 0.61 0.02 0.00 0.00 177.10 178.24 1jh3 n GLY 57 N 2.70 0.27 0.59 0.66 0.00 -1.26 -1.28 105.19 106.87 1jh3 n GLY 57 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 0.11 2.74 -2.90 4.61 0.00 -1.26 -4.52 120.51 119.29 1jh3 n ALA 58 Ca 0.00 -0.53 -0.44 0.00 0.00 0.00 0.00 53.44 52.47 1jh3 n ALA 58 Cb 0.06 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.14 4.69 -0.64 0.00 -1.16 -0.40 -0.32 121.20 121.23 1jh3 s ILE 59 Ca 0.30 -1.60 -0.28 0.00 -0.51 0.00 0.00 60.65 58.57 1jh3 s ILE 59 Cb 0.20 -4.81 0.02 0.00 0.61 0.00 0.00 42.46 38.48 1jh3 s ILE 59 CO 0.38 -1.55 1.31 -0.31 -2.81 0.00 0.00 174.94 171.96 1jh3 s TYR 60 N 2.77 2.36 0.18 3.50 2.02 -0.37 -1.71 117.35 126.11 1jh3 s TYR 60 Ca 0.34 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 57.01 1jh3 s TYR 60 Cb -0.04 -4.51 -0.08 0.00 -0.40 0.00 0.00 41.96 36.93 1jh3 s TYR 60 CO -0.09 -1.90 1.00 0.54 -1.57 0.00 0.00 175.55 173.53 1jh3 s VAL 61 N 5.70 4.12 0.00 0.71 0.11 0.37 0.08 120.40 131.48 1jh3 s VAL 61 Ca 0.43 1.92 0.00 0.00 -2.93 0.00 0.00 61.98 61.40 1jh3 s VAL 61 Cb -0.09 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.54 1jh3 s VAL 61 CO 0.21 0.37 0.00 0.59 -3.33 0.00 0.00 175.10 172.94 1jh3 n ASN 62 N 2.12 0.00 0.00 3.54 3.02 0.54 -0.11 115.26 124.36 1jh3 n ASN 62 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1jh3 n ASN 62 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1jh3 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jh3 n GLY 63 N 0.00 0.00 3.15 7.41 0.00 -1.26 -4.87 105.19 109.63 1jh3 n GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.68 -0.34 1.61 1.03 0.84 -4.92 118.70 119.60 1jh3 s GLU 64 Ca 0.00 -0.74 -0.28 0.00 0.03 0.00 0.00 54.97 53.97 1jh3 s GLU 64 Cb 0.00 -2.11 -0.07 0.00 -0.80 0.00 0.00 34.13 31.16 1jh3 s GLU 64 CO 0.00 0.08 2.29 -2.13 -1.33 0.00 0.00 175.26 174.17 1jh3 n ARG 65 N 3.79 1.53 -3.52 -4.83 0.00 -1.26 -0.48 116.66 111.88 1jh3 n ARG 65 Ca -0.20 0.33 -0.19 0.00 -0.00 0.00 0.00 57.85 57.78 1jh3 n ARG 65 Cb 0.52 -3.16 -0.14 0.00 0.00 0.00 0.00 32.46 29.68 1jh3 n ARG 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1jh3 s LEU 66 N 9.42 -0.03 -0.08 6.15 1.43 -0.70 -4.91 118.68 129.97 1jh3 s LEU 66 Ca 1.02 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.98 1jh3 s LEU 66 Cb -0.37 0.28 0.17 0.00 0.03 0.00 0.00 46.19 46.29 1jh3 s LEU 66 CO 0.35 -0.33 1.08 0.00 0.23 0.00 0.00 176.35 177.67 1jh3 n GLN 67 N 5.31 1.73 -5.14 1.70 -0.00 -1.26 -4.53 117.38 115.18 1jh3 n GLN 67 Ca -0.06 -2.09 -0.31 0.00 -0.00 0.00 0.00 57.00 54.54 1jh3 n GLN 67 Cb 0.49 -1.26 -0.15 0.00 -0.00 0.00 0.00 30.24 29.32 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 -2.10 3.25 0.22 2.61 2.15 -1.26 -4.25 116.67 117.29 1jh3 s ASP 68 Ca 0.19 -0.45 -0.08 0.00 0.43 0.00 0.00 52.55 52.64 1jh3 s ASP 68 Cb 0.17 -0.42 0.27 0.00 -0.30 0.00 0.00 42.92 42.64 1jh3 s ASP 68 CO 0.02 0.31 1.84 1.62 -0.17 0.00 0.00 175.17 178.79 1jh3 h VAL 69 N 4.39 1.04 0.00 1.11 3.04 -1.97 -0.70 116.25 123.16 1jh3 h VAL 69 Ca -0.44 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 1jh3 h VAL 69 Cb 1.13 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 1jh3 h VAL 69 CO 0.47 0.16 0.00 0.61 -1.01 0.00 0.00 177.57 177.80 1jh3 n GLY 70 N -1.31 -1.07 0.12 3.17 0.00 -1.26 -2.17 105.19 102.67 1jh3 n GLY 70 Ca 0.10 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 2.74 0.14 -3.40 4.61 0.00 -1.54 -3.47 119.26 118.34 1jh3 h ALA 71 Ca 0.00 -1.00 -0.30 0.00 0.00 0.00 0.00 54.91 53.61 1jh3 h ALA 71 Cb 0.27 0.42 -0.34 0.00 0.00 0.00 0.00 17.79 18.14 1jh3 h ALA 71 CO 0.00 0.68 -0.70 0.42 0.00 0.00 0.00 179.25 179.66 1jh3 s ILE 72 N -2.44 -0.08 0.00 0.00 1.01 -0.83 -4.73 121.20 114.14 1jh3 s ILE 72 Ca -0.20 0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1jh3 s ILE 72 Cb 0.03 -0.14 0.00 0.00 0.01 0.00 0.00 42.46 42.36 1jh3 s ILE 72 CO 0.75 0.10 0.00 0.18 0.00 0.00 0.00 174.94 175.97 1jh3 n LEU 73 N 4.45 0.00 0.00 2.97 4.77 -1.25 -2.60 117.00 125.33 1jh3 n LEU 73 Ca -0.22 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.63 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 0.17 0.00 0.14 0.35 -1.33 0.00 0.00 177.39 176.73 1jh3 n THR 74 N 0.00 0.00 -0.26 -5.08 -2.24 -1.25 -4.39 114.28 101.06 1jh3 n THR 74 Ca 0.00 -1.15 -0.00 0.00 -2.27 0.00 0.00 64.05 60.63 1jh3 n THR 74 Cb 0.00 -0.54 0.12 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.44 1.02 -0.00 6.98 0.00 -1.91 -1.07 119.26 124.72 1jh3 h ALA 75 Ca -0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jh3 h ALA 75 Cb 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jh3 h ALA 75 CO 0.25 0.11 -0.08 -1.91 0.00 0.00 0.00 179.25 177.61 1jh3 n GLU 76 N -4.74 0.48 0.03 0.00 2.13 -1.26 -0.58 120.64 116.69 1jh3 n GLU 76 Ca 0.10 -0.11 0.13 0.00 0.66 0.00 0.00 57.16 57.95 1jh3 n GLU 76 Cb 0.20 -1.50 0.50 0.00 0.27 0.00 0.00 31.44 30.91 1jh3 n GLU 76 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1jh3 n HIS 77 N -1.17 0.25 0.00 4.31 -0.00 -0.45 -4.66 115.22 113.51 1jh3 n HIS 77 Ca 0.13 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.38 1jh3 n HIS 77 Cb 0.27 -0.59 0.00 0.00 -0.12 0.00 0.00 29.99 29.56 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 -1.71 0.00 -0.46 1.57 3.00 -0.61 -4.71 116.66 113.74 1jh3 n ARG 78 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.91 1jh3 n ARG 78 Cb 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 32.46 32.77 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 -2.30 0.00 0.00 6.15 4.77 0.25 -4.90 117.00 120.98 1jh3 n LEU 79 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jh3 n LEU 79 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jh3 n LEU 79 CO 0.00 -0.42 0.50 -1.84 -1.33 0.00 0.00 177.39 174.30 1jh3 n GLU 80 N -0.84 0.00 -0.10 3.23 0.28 -1.26 -4.26 120.64 117.69 1jh3 n GLU 80 Ca 0.00 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.32 1jh3 n GLU 80 Cb 0.00 -1.67 0.00 0.00 1.43 0.00 0.00 31.44 31.20 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 -1.32 0.73 2.01 -1.84 0.00 -1.22 -4.82 105.19 98.73 1jh3 n GLY 81 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.06 0.00 -1.81 1.61 1.74 -1.26 -4.77 116.66 112.10 1jh3 n ARG 82 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1jh3 n ARG 82 Cb 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.47 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 -3.01 0.00 -3.52 -1.55 3.01 -1.26 -4.42 117.46 106.71 1jh3 n PHE 83 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 1jh3 n PHE 83 Cb 0.00 0.00 -0.04 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 -1.57 0.02 0.13 4.37 2.01 0.37 -4.35 115.64 116.63 1jh3 s THR 84 Ca 0.00 -0.14 0.11 0.00 0.31 0.00 0.00 61.69 61.97 1jh3 s THR 84 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1jh3 s THR 84 CO 0.00 -0.08 -0.26 -0.69 -0.69 0.00 0.00 174.62 172.91 1jh3 s VAL 85 N -2.69 2.20 -0.32 3.82 1.01 -1.26 -0.92 120.40 122.23 1jh3 s VAL 85 Ca -0.04 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.16 1jh3 s VAL 85 Cb -0.00 -1.96 0.11 0.00 0.00 0.00 0.00 36.38 34.53 1jh3 s VAL 85 CO -0.04 0.04 0.14 -0.63 0.00 0.00 0.00 175.10 174.61 1jh3 s ILE 86 N -1.16 0.57 -1.09 2.22 -1.09 0.32 -0.34 121.20 120.62 1jh3 s ILE 86 Ca 0.14 -1.38 -0.10 0.00 -2.23 0.00 0.00 60.65 57.08 1jh3 s ILE 86 Cb -0.10 -1.44 0.27 0.00 -1.58 0.00 0.00 42.46 39.61 1jh3 s ILE 86 CO 0.06 -0.76 1.10 -0.13 -1.23 0.00 0.00 174.94 173.98 1jh3 s ARG 87 N 1.55 4.15 -0.27 2.79 0.52 0.11 -0.52 118.95 127.27 1jh3 s ARG 87 Ca 0.11 -3.12 -0.29 0.00 -0.52 0.00 0.00 55.73 51.91 1jh3 s ARG 87 Cb -0.18 -4.57 0.01 0.00 0.52 0.00 0.00 34.95 30.72 1jh3 s ARG 87 CO -0.23 -1.27 1.13 0.50 0.02 0.00 0.00 175.30 175.46 1jh3 s ARG 88 N -0.99 4.11 0.23 3.54 6.06 -0.31 -1.23 118.95 130.35 1jh3 s ARG 88 Ca 0.30 1.25 -0.12 0.00 -2.50 0.00 0.00 55.73 54.67 1jh3 s ARG 88 Cb -0.10 -3.74 0.31 0.00 0.06 0.00 0.00 34.95 31.48 1jh3 s ARG 88 CO -0.08 -0.85 1.61 0.78 -2.50 0.00 0.00 175.30 174.27 1jh3 h GLY 89 N 10.02 0.56 1.10 8.12 0.00 -0.94 0.21 103.07 122.14 1jh3 h GLY 89 Ca -0.22 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jh3 h GLY 89 CO 1.01 -0.27 0.00 1.17 0.00 0.00 0.00 176.54 178.45 1jh3 n LYS 90 N -5.46 0.13 0.00 4.80 4.81 -1.26 -4.55 118.16 116.64 1jh3 n LYS 90 Ca 0.10 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1jh3 n LYS 90 Cb 0.38 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.93 1jh3 n LYS 90 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jh3 n LYS 91 N -1.05 0.00 -0.40 1.64 3.00 0.01 -5.16 118.16 116.20 1jh3 n LYS 91 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1jh3 n LYS 91 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.05 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 -3.38 1.64 3.00 -0.89 -4.92 118.16 113.61 1jh3 n LYS 92 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.93 1jh3 n LYS 92 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 1jh3 n LYS 92 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1jh3 n TYR 93 N 0.00 3.77 -1.78 5.64 4.01 -1.23 -1.16 117.16 126.40 1jh3 n TYR 93 Ca 0.00 -3.67 -0.30 0.00 -0.16 0.00 0.00 57.90 53.77 1jh3 n TYR 93 Cb 0.00 -1.17 0.06 0.00 -0.31 0.00 0.00 39.34 37.92 1jh3 n TYR 93 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1jh3 s TYR 94 N -1.95 3.14 -0.08 -0.72 1.51 0.32 -4.63 117.35 114.93 1jh3 s TYR 94 Ca 0.31 1.05 0.03 0.00 -1.01 0.00 0.00 57.07 57.45 1jh3 s TYR 94 Cb -0.01 -3.12 -0.02 0.00 -0.11 0.00 0.00 41.96 38.71 1jh3 s TYR 94 CO -0.04 -1.41 -0.17 -1.17 -1.11 0.00 0.00 175.55 171.65 1jh3 s LEU 95 N -5.51 2.56 -0.05 -1.29 2.96 -1.22 -0.52 118.68 115.61 1jh3 s LEU 95 Ca 0.59 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1jh3 s LEU 95 Cb -0.12 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1jh3 s LEU 95 CO 0.52 0.25 -0.13 -0.63 -1.32 0.00 0.00 176.35 175.04 1jh3 s ILE 96 N -0.14 1.15 0.27 6.68 -1.09 -0.10 -0.68 121.20 127.29 1jh3 s ILE 96 Ca -0.02 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 1jh3 s ILE 96 Cb -0.14 -1.02 -0.04 0.00 -1.58 0.00 0.00 42.46 39.69 1jh3 s ILE 96 CO 0.04 0.35 0.19 0.00 -1.23 0.00 0.00 174.94 174.29 1jh3 s ARG 97 N 0.31 1.49 0.31 2.79 1.70 0.33 -0.47 118.95 125.41 1jh3 s ARG 97 Ca -0.08 -1.84 0.10 0.00 -0.47 0.00 0.00 55.73 53.45 1jh3 s ARG 97 Cb -0.12 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.43 1jh3 s ARG 97 CO 0.02 -0.50 -0.08 1.52 -1.08 0.00 0.00 175.30 175.18 1jh3 s TYR 98 N -3.78 2.46 0.00 5.89 -0.85 -1.26 -1.69 117.35 118.13 1jh3 s TYR 98 Ca 0.39 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.56 1jh3 s TYR 98 Cb 0.05 -1.26 0.00 0.00 0.38 0.00 0.00 41.96 41.13 1jh3 s TYR 98 CO 0.19 0.60 0.26 0.00 -1.52 0.00 0.00 175.55 175.08