#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 0.00 0.00 0.00 0.00 -1.26 -4.97 117.00 110.77 1jh3 n LEU 2 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 56.01 56.65 1jh3 n LEU 2 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 43.42 41.57 1jh3 n LEU 2 CO 0.00 -1.72 0.00 0.33 0.00 0.00 0.00 177.39 176.00 1jh3 n PHE 3 N -2.53 -1.57 -3.81 1.96 -0.00 -1.26 -5.15 117.46 105.10 1jh3 n PHE 3 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 1jh3 n PHE 3 Cb 0.27 0.35 0.03 0.00 -0.00 0.00 0.00 39.48 40.13 1jh3 n PHE 3 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1jh3 n SER 4 N -2.20 -2.29 0.00 -2.13 7.64 -1.26 -4.97 113.62 108.42 1jh3 n SER 4 Ca 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.26 1jh3 n SER 4 Cb 0.00 3.82 0.00 0.00 -1.01 0.00 0.00 64.21 67.02 1jh3 n SER 4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jh3 n GLY 5 N -0.54 -0.09 0.04 0.23 0.00 -1.26 -4.87 105.19 98.70 1jh3 n GLY 5 Ca -0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 1jh3 n GLY 5 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jh3 h ASP 6 N 0.00 -0.04 -1.11 1.61 3.32 -1.98 -3.38 116.42 114.85 1jh3 h ASP 6 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1jh3 h ASP 6 Cb 0.00 0.01 -0.17 0.00 0.22 0.00 0.00 39.33 39.39 1jh3 h ASP 6 CO 0.00 0.22 0.65 2.30 -1.72 0.00 0.00 179.24 180.68 1jh3 n ILE 7 N -3.49 3.57 0.48 0.35 -5.35 -1.26 -4.51 119.36 109.16 1jh3 n ILE 7 Ca -0.01 -3.21 0.05 0.00 -0.27 0.00 0.00 62.75 59.32 1jh3 n ILE 7 Cb 0.02 -1.64 0.25 0.00 -1.74 0.00 0.00 39.64 36.53 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 0.93 1.65 0.60 -1.28 0.00 -1.26 -1.53 120.51 119.63 1jh3 n ALA 8 Ca 0.51 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.97 1jh3 n ALA 8 Cb 0.51 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.26 0.79 -2.99 0.00 3.02 -1.26 -4.85 115.26 108.72 1jh3 n ASN 9 Ca 0.05 -0.74 -0.03 0.00 -0.03 0.00 0.00 54.58 53.82 1jh3 n ASN 9 Cb 0.07 1.08 -0.01 0.00 -0.61 0.00 0.00 39.78 40.32 1jh3 n ASN 9 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1jh3 s LEU 10 N -2.85 -1.32 0.99 3.41 2.34 -0.58 -5.07 118.68 115.59 1jh3 s LEU 10 Ca 0.04 -1.39 -0.16 0.00 0.06 0.00 0.00 54.13 52.68 1jh3 s LEU 10 Cb 0.11 1.79 0.20 0.00 -0.56 0.00 0.00 46.19 47.73 1jh3 s LEU 10 CO 0.60 -0.11 1.26 0.42 -1.06 0.00 0.00 176.35 177.46 1jh3 s THR 11 N 1.26 1.93 0.04 5.48 -4.23 -1.21 -4.63 115.64 114.29 1jh3 s THR 11 Ca 0.24 0.00 -0.24 0.00 -1.18 0.00 0.00 61.69 60.51 1jh3 s THR 11 Cb -0.02 -2.90 -0.17 0.00 1.34 0.00 0.00 72.50 70.75 1jh3 s THR 11 CO -0.06 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 175.54 1jh3 h ALA 12 N -1.74 0.01 0.00 3.99 0.00 -1.93 0.57 119.26 120.15 1jh3 h ALA 12 Ca -0.45 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1jh3 h ALA 12 Cb 1.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1jh3 h ALA 12 CO 0.41 -0.38 -0.43 0.00 0.00 0.00 0.00 179.25 178.85 1jh3 h ALA 13 N 0.78 1.16 0.00 0.00 0.00 -1.96 -0.66 119.26 118.59 1jh3 h ALA 13 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 1jh3 h ALA 13 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jh3 h ALA 13 CO 0.00 0.54 -0.42 1.49 0.00 0.00 0.00 179.25 180.86 1jh3 h GLU 14 N 0.00 0.00 0.14 0.00 4.81 -1.83 -0.86 114.58 116.85 1jh3 h GLU 14 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1jh3 h GLU 14 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1jh3 h GLU 14 CO 0.06 0.42 -0.07 0.82 -0.73 0.00 0.00 179.01 179.50 1jh3 h ILE 15 N 0.00 0.82 -0.26 2.32 2.04 0.48 0.20 117.51 123.11 1jh3 h ILE 15 Ca -0.00 -1.20 0.03 0.00 1.00 0.00 0.00 64.86 64.69 1jh3 h ILE 15 Cb 1.29 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 1jh3 h ILE 15 CO 0.05 0.22 0.06 -0.33 0.00 0.00 0.00 178.15 178.16 1jh3 h GLU 16 N -0.90 0.16 0.00 2.37 5.08 -1.09 0.10 114.58 120.31 1jh3 h GLU 16 Ca -0.02 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1jh3 h GLU 16 Cb 0.52 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1jh3 h GLU 16 CO 0.03 0.11 -0.59 0.37 -1.00 0.00 0.00 179.01 177.93 1jh3 h GLN 17 N 0.17 0.00 -0.65 2.33 5.75 -1.29 -1.82 115.11 119.60 1jh3 h GLN 17 Ca 0.12 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1jh3 h GLN 17 Cb 0.11 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1jh3 h GLN 17 CO -0.15 0.46 0.15 0.78 -2.65 0.00 0.00 178.83 177.42 1jh3 h GLY 18 N 3.54 1.11 -0.03 2.39 0.00 -0.13 -3.31 103.07 106.64 1jh3 h GLY 18 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1jh3 h GLY 18 CO 0.06 0.64 -0.02 0.69 0.00 0.00 0.00 176.54 177.91 1jh3 n PHE 19 N -4.24 0.00 0.06 5.60 3.72 0.32 -4.69 117.46 118.23 1jh3 n PHE 19 Ca 0.05 -0.67 0.03 0.00 -0.05 0.00 0.00 57.45 56.80 1jh3 n PHE 19 Cb 0.26 -0.09 0.14 0.00 -0.94 0.00 0.00 39.48 38.85 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 -0.85 0.04 0.08 -1.08 4.81 -0.69 -2.15 118.16 118.31 1jh3 n LYS 20 Ca 0.07 0.43 0.13 0.00 -0.87 0.00 0.00 58.31 58.07 1jh3 n LYS 20 Cb 0.44 -1.78 0.47 0.00 0.02 0.00 0.00 35.03 34.17 1jh3 n LYS 20 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1jh3 n ASP 21 N -1.61 0.54 -4.28 3.14 8.00 -1.26 -4.63 116.55 116.45 1jh3 n ASP 21 Ca -0.00 0.56 -0.19 0.00 0.71 0.00 0.00 54.79 55.87 1jh3 n ASP 21 Cb 0.18 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.46 1jh3 n ASP 21 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1jh3 s VAL 22 N -3.09 1.50 0.85 2.53 -7.23 -0.91 -5.08 120.40 108.96 1jh3 s VAL 22 Ca 0.11 -1.83 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 1jh3 s VAL 22 Cb 0.14 -1.68 0.10 0.00 0.56 0.00 0.00 36.38 35.49 1jh3 s VAL 22 CO 0.54 -0.41 1.15 -2.16 -0.31 0.00 0.00 175.10 173.91 1jh3 s PRO 23 N -2.83 1.68 0.51 4.82 0.04 -1.26 -4.78 135.00 133.18 1jh3 s PRO 23 Ca 0.12 0.23 0.08 0.00 0.04 0.00 0.00 61.00 61.47 1jh3 s PRO 23 Cb -0.04 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1jh3 s PRO 23 CO 0.04 -1.82 0.57 -1.54 0.04 0.00 0.00 177.00 174.29 1jh3 s SER 24 N -4.30 5.03 0.09 6.66 1.04 -1.26 -3.43 113.70 117.52 1jh3 s SER 24 Ca 0.62 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1jh3 s SER 24 Cb -0.13 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 1jh3 s SER 24 CO 0.51 -1.05 -0.05 0.12 0.98 0.00 0.00 173.24 173.75 1jh3 s PHE 25 N -2.61 0.83 -0.03 5.02 5.36 0.16 -4.91 117.98 121.78 1jh3 s PHE 25 Ca 0.50 -0.96 0.01 0.00 -0.96 0.00 0.00 56.93 55.53 1jh3 s PHE 25 Cb -0.05 -0.50 0.02 0.00 -0.34 0.00 0.00 43.02 42.15 1jh3 s PHE 25 CO 0.31 -0.21 -0.05 0.54 -1.46 0.00 0.00 175.22 174.35 1jh3 s VAL 26 N -3.70 0.54 0.46 3.12 0.11 -1.26 -0.66 120.40 119.01 1jh3 s VAL 26 Ca 0.12 -0.16 0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1jh3 s VAL 26 Cb 0.06 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.36 1jh3 s VAL 26 CO -0.05 0.21 0.35 -1.38 -3.33 0.00 0.00 175.10 170.90 1jh3 s HIS 27 N 0.65 2.35 -0.99 1.54 -3.43 -0.67 -4.92 115.29 109.83 1jh3 s HIS 27 Ca -0.09 -0.62 -0.01 0.00 -0.80 0.00 0.00 55.06 53.55 1jh3 s HIS 27 Cb -0.12 -2.06 0.33 0.00 -1.43 0.00 0.00 32.58 29.30 1jh3 s HIS 27 CO 0.00 -0.18 1.87 -1.91 -2.00 0.00 0.00 174.74 172.52 1jh3 n GLU 28 N -1.56 4.84 -0.21 -0.38 2.13 -1.26 -0.11 120.64 124.09 1jh3 n GLU 28 Ca 0.01 -4.41 0.03 0.00 0.66 0.00 0.00 57.16 53.45 1jh3 n GLU 28 Cb 0.63 -2.42 -0.01 0.00 0.27 0.00 0.00 31.44 29.91 1jh3 n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jh3 n GLY 29 N -0.17 -1.19 0.33 8.31 0.00 -1.26 -4.84 105.19 106.36 1jh3 n GLY 29 Ca 0.49 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.11 3.79 -0.02 0.00 -1.26 -4.93 105.19 99.01 1jh3 n GLY 30 Ca 0.00 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 -3.28 6.16 -0.26 1.61 -4.77 -1.26 -4.92 116.67 109.95 1jh3 s ASP 31 Ca 0.00 2.03 -0.17 0.00 -3.30 0.00 0.00 52.55 51.11 1jh3 s ASP 31 Cb 0.00 -2.57 0.07 0.00 -1.09 0.00 0.00 42.92 39.33 1jh3 s ASP 31 CO 0.00 -0.91 0.64 -0.69 0.70 0.00 0.00 175.17 174.91 1jh3 s VAL 32 N -1.88 -0.00 0.59 2.11 1.01 -1.26 -4.98 120.40 115.99 1jh3 s VAL 32 Ca 0.68 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 1jh3 s VAL 32 Cb -0.19 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1jh3 s VAL 32 CO 0.23 0.01 1.06 -2.16 0.00 0.00 0.00 175.10 174.23 1jh3 s PRO 33 N 1.27 3.33 0.53 2.72 0.04 -1.26 -3.51 135.00 138.11 1jh3 s PRO 33 Ca -0.07 1.19 0.27 0.00 0.04 0.00 0.00 61.00 62.42 1jh3 s PRO 33 Cb -0.05 -2.03 1.42 0.00 0.04 0.00 0.00 34.50 33.87 1jh3 s PRO 33 CO -0.14 -0.80 1.97 1.37 0.04 0.00 0.00 177.00 179.44 1jh3 h LEU 34 N 0.42 0.00 -1.23 -3.56 -0.00 -1.70 0.42 115.31 109.66 1jh3 h LEU 34 Ca -0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.36 1jh3 h LEU 34 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.87 1jh3 h LEU 34 CO 0.57 0.00 -0.24 1.62 -0.00 0.00 0.00 178.44 180.39 1jh3 h VAL 35 N 0.00 0.65 0.07 0.15 3.04 -1.91 -1.10 116.25 117.16 1jh3 h VAL 35 Ca 0.29 -1.11 -0.33 0.00 -1.01 0.00 0.00 66.70 64.54 1jh3 h VAL 35 Cb 1.16 1.72 -0.03 0.00 -2.01 0.00 0.00 31.29 32.13 1jh3 h VAL 35 CO -0.00 0.24 -1.79 -0.62 -1.01 0.00 0.00 177.57 174.39 1jh3 n GLU 36 N -3.49 0.68 0.15 4.17 -0.58 0.05 -3.65 120.64 117.96 1jh3 n GLU 36 Ca -0.00 0.37 0.01 0.00 -0.42 0.00 0.00 57.16 57.11 1jh3 n GLU 36 Cb 0.41 -1.71 0.18 0.00 -0.57 0.00 0.00 31.44 29.75 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 -0.33 0.00 0.03 -4.62 8.10 -1.30 0.94 115.31 118.12 1jh3 h LEU 37 Ca -0.42 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.32 1jh3 h LEU 37 Cb 1.77 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.96 1jh3 h LEU 37 CO -0.04 0.57 -1.34 0.17 -4.11 0.00 0.00 178.44 173.70 1jh3 h LEU 38 N 0.00 0.09 0.12 0.17 -0.00 -1.40 0.20 115.31 114.48 1jh3 h LEU 38 Ca -0.01 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.75 1jh3 h LEU 38 Cb 1.13 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 1jh3 h LEU 38 CO 0.07 1.10 -0.06 0.58 -0.00 0.00 0.00 178.44 180.14 1jh3 h VAL 39 N 0.02 1.01 -0.28 0.15 2.07 -1.58 0.23 116.25 117.86 1jh3 h VAL 39 Ca -0.15 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1jh3 h VAL 39 Cb 1.90 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1jh3 h VAL 39 CO 0.12 0.12 -0.20 -1.28 0.02 0.00 0.00 177.57 176.36 1jh3 h SER 40 N -0.39 0.50 1.44 0.57 0.87 -0.85 -1.89 113.55 113.81 1jh3 h SER 40 Ca -0.02 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1jh3 h SER 40 Cb 0.32 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1jh3 h SER 40 CO 0.03 0.71 0.00 0.00 -0.53 0.00 0.00 176.83 177.04 1jh3 h ALA 41 N 1.33 1.00 0.00 6.23 0.00 -0.55 -3.47 119.26 123.81 1jh3 h ALA 41 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jh3 h ALA 41 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jh3 h ALA 41 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1jh3 n GLY 42 N 1.07 1.11 0.14 0.00 0.00 -0.29 -4.86 105.19 102.36 1jh3 n GLY 42 Ca 0.05 -0.24 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.33 -0.61 1.08 -0.82 -3.43 117.51 113.82 1jh3 h ILE 43 Ca 0.00 -2.35 -0.07 0.00 -0.39 0.00 0.00 64.86 62.06 1jh3 h ILE 43 Cb 0.08 2.86 -0.24 0.00 -3.07 0.00 0.00 36.82 36.44 1jh3 h ILE 43 CO 0.00 0.68 -0.44 -0.44 -0.69 0.00 0.00 178.15 177.26 1jh3 s SER 44 N -7.00 -0.69 0.39 1.72 0.01 -1.17 -5.01 113.70 101.94 1jh3 s SER 44 Ca -0.12 -0.00 0.24 0.00 1.31 0.00 0.00 55.95 57.37 1jh3 s SER 44 Cb 0.03 1.62 0.49 0.00 0.21 0.00 0.00 66.02 68.37 1jh3 s SER 44 CO 0.85 -0.32 1.66 1.55 0.41 0.00 0.00 173.24 177.39 1jh3 h PRO 45 N 8.08 0.00 -5.88 12.44 0.13 -1.84 -3.36 132.00 141.57 1jh3 h PRO 45 Ca -0.06 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.46 1jh3 h PRO 45 Cb 1.16 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.17 1jh3 h PRO 45 CO 0.21 0.00 0.56 0.45 -0.23 0.00 0.00 178.00 178.99 1jh3 s SER 46 N -5.77 6.36 0.64 1.44 0.15 -1.26 -4.92 113.70 110.33 1jh3 s SER 46 Ca 0.08 -0.30 0.35 0.00 0.70 0.00 0.00 55.95 56.77 1jh3 s SER 46 Cb 0.07 -2.43 1.94 0.00 -1.71 0.00 0.00 66.02 63.88 1jh3 s SER 46 CO 0.65 -1.20 2.16 0.11 1.20 0.00 0.00 173.24 176.16 1jh3 h LYS 47 N 9.27 0.00 -0.09 5.44 1.57 -1.98 0.28 116.57 131.08 1jh3 h LYS 47 Ca -0.26 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 1jh3 h LYS 47 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1jh3 h LYS 47 CO 1.08 0.00 -0.27 -0.09 -0.57 0.00 0.00 179.45 179.59 1jh3 h ARG 48 N 0.00 0.34 0.02 3.15 1.12 -1.95 0.57 114.38 117.63 1jh3 h ARG 48 Ca 0.03 -0.25 0.02 0.00 -1.11 0.00 0.00 59.98 58.67 1jh3 h ARG 48 Cb 0.33 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 1jh3 h ARG 48 CO -0.00 0.87 -0.12 0.37 -3.11 0.00 0.00 179.97 177.98 1jh3 h GLN 49 N -0.13 -0.21 -0.31 0.20 -0.00 -1.07 -1.75 115.11 111.84 1jh3 h GLN 49 Ca -0.01 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.73 1jh3 h GLN 49 Cb 0.90 0.05 -0.08 0.00 0.00 0.00 0.00 27.48 28.35 1jh3 h GLN 49 CO 0.06 -0.14 -0.24 0.00 0.00 0.00 0.00 178.83 178.51 1jh3 h ALA 50 N 0.73 -0.07 -0.86 3.38 0.00 -0.63 0.34 119.26 122.15 1jh3 h ALA 50 Ca 0.04 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1jh3 h ALA 50 Cb 0.26 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1jh3 h ALA 50 CO -0.10 -0.64 0.56 -0.09 0.00 0.00 0.00 179.25 178.97 1jh3 h ARG 51 N -0.21 0.91 0.00 0.00 2.43 -0.54 0.65 114.38 117.61 1jh3 h ARG 51 Ca 0.16 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 1jh3 h ARG 51 Cb 0.46 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1jh3 h ARG 51 CO -0.44 0.60 -0.83 1.49 -1.51 0.00 0.00 179.97 179.28 1jh3 h GLU 52 N 0.93 0.00 0.00 0.20 4.81 -0.37 -0.31 114.58 119.84 1jh3 h GLU 52 Ca 0.38 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 1jh3 h GLU 52 Cb 0.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1jh3 h GLU 52 CO -0.14 0.39 -0.03 0.22 -0.73 0.00 0.00 179.01 178.71 1jh3 h ASP 53 N 0.00 0.00 0.00 1.04 3.58 0.11 0.00 116.42 121.15 1jh3 h ASP 53 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1jh3 h ASP 53 Cb 1.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.47 1jh3 h ASP 53 CO 0.05 0.03 -0.16 0.40 -2.88 0.00 0.00 179.24 176.69 1jh3 h ILE 54 N 0.00 0.00 0.00 2.25 2.04 -0.92 -3.41 117.51 117.47 1jh3 h ILE 54 Ca -0.00 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1jh3 h ILE 54 Cb 0.13 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 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 -3.75 0.16 -2.80 2.37 6.02 -0.13 -4.39 117.38 114.86 1jh3 n GLN 55 Ca -0.02 0.17 -0.41 0.00 -0.01 0.00 0.00 57.00 56.73 1jh3 n GLN 55 Cb 0.08 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.51 7.34 0.00 1.08 0.02 -0.06 -4.92 114.94 115.88 1jh3 s ASN 56 Ca 0.10 1.62 0.00 0.00 -1.02 0.00 0.00 52.86 53.56 1jh3 s ASN 56 Cb 0.07 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.79 1jh3 s ASN 56 CO 0.15 -0.14 0.05 0.61 0.02 0.00 0.00 177.10 177.79 1jh3 n GLY 57 N 2.63 -0.04 0.06 0.66 0.00 -1.26 -1.67 105.19 105.56 1jh3 n GLY 57 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.43 2.27 -3.32 4.61 0.00 -1.26 -4.56 120.51 117.82 1jh3 n ALA 58 Ca 0.00 -0.05 -0.46 0.00 0.00 0.00 0.00 53.44 52.92 1jh3 n ALA 58 Cb 0.00 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 17.97 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 -3.06 5.69 -0.76 0.00 -1.16 -0.67 -1.54 121.20 119.69 1jh3 s ILE 59 Ca 0.12 -2.67 -0.27 0.00 -0.51 0.00 0.00 60.65 57.32 1jh3 s ILE 59 Cb 0.15 -4.51 0.03 0.00 0.61 0.00 0.00 42.46 38.74 1jh3 s ILE 59 CO 0.56 -1.08 1.33 -0.31 -2.81 0.00 0.00 174.94 172.63 1jh3 s TYR 60 N -0.11 2.26 0.19 3.50 2.02 -0.16 -1.79 117.35 123.27 1jh3 s TYR 60 Ca 0.21 -0.06 -0.30 0.00 -0.37 0.00 0.00 57.07 56.55 1jh3 s TYR 60 Cb -0.10 -4.60 -0.08 0.00 -0.40 0.00 0.00 41.96 36.79 1jh3 s TYR 60 CO -0.09 -2.08 0.99 0.54 -1.57 0.00 0.00 175.55 173.34 1jh3 s VAL 61 N 5.90 4.15 0.00 0.71 0.11 0.53 -0.34 120.40 131.46 1jh3 s VAL 61 Ca 0.38 1.96 0.00 0.00 -2.93 0.00 0.00 61.98 61.39 1jh3 s VAL 61 Cb -0.08 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.52 1jh3 s VAL 61 CO 0.13 0.39 0.00 0.59 -3.33 0.00 0.00 175.10 172.88 1jh3 n ASN 62 N 2.09 -2.72 0.00 3.54 5.03 0.35 -0.26 115.26 123.29 1jh3 n ASN 62 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1jh3 n ASN 62 Cb 0.47 -2.93 0.00 0.00 -1.02 0.00 0.00 39.78 36.30 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 -0.65 0.50 3.12 7.41 0.00 -1.23 -4.98 105.19 109.36 1jh3 n GLY 63 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.85 2.40 -0.26 1.61 -1.05 0.65 -4.90 118.70 116.30 1jh3 s GLU 64 Ca 0.00 -0.65 -0.28 0.00 -0.15 0.00 0.00 54.97 53.89 1jh3 s GLU 64 Cb 0.00 -1.90 -0.04 0.00 -0.44 0.00 0.00 34.13 31.76 1jh3 s GLU 64 CO 0.00 0.08 2.03 0.50 0.95 0.00 0.00 175.26 178.82 1jh3 s ARG 65 N 0.59 3.25 -0.40 -4.83 3.00 -1.26 -0.35 118.95 118.95 1jh3 s ARG 65 Ca -0.15 1.79 0.08 0.00 -1.00 0.00 0.00 55.73 56.45 1jh3 s ARG 65 Cb -0.17 -4.29 0.25 0.00 0.00 0.00 0.00 34.95 30.74 1jh3 s ARG 65 CO 0.05 -1.96 0.54 1.28 0.00 0.00 0.00 175.30 175.20 1jh3 n LEU 66 N 10.96 -0.05 -1.10 -0.88 4.77 -0.74 -4.91 117.00 125.05 1jh3 n LEU 66 Ca 0.27 -4.59 0.00 0.00 -0.03 0.00 0.00 56.01 51.65 1jh3 n LEU 66 Cb 0.46 0.65 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 1jh3 n LEU 66 CO 0.67 2.06 0.57 0.00 -1.33 0.00 0.00 177.39 179.35 1jh3 n GLN 67 N 1.48 0.95 -3.96 3.23 -0.00 -1.26 -4.63 117.38 113.19 1jh3 n GLN 67 Ca 0.21 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 57.13 1jh3 n GLN 67 Cb 0.53 -1.03 -0.09 0.00 -0.00 0.00 0.00 30.24 29.66 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 1.19 0.29 0.42 2.61 2.15 -1.26 -3.87 116.67 118.20 1jh3 s ASP 68 Ca 0.00 -0.79 0.19 0.00 0.43 0.00 0.00 52.55 52.38 1jh3 s ASP 68 Cb 0.00 0.27 0.92 0.00 -0.30 0.00 0.00 42.92 43.80 1jh3 s ASP 68 CO 0.00 -0.65 1.87 0.58 -0.17 0.00 0.00 175.17 176.80 1jh3 h VAL 69 N 3.02 0.96 -0.00 1.11 2.07 -1.90 -0.35 116.25 121.15 1jh3 h VAL 69 Ca -0.34 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1jh3 h VAL 69 Cb 1.17 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1jh3 h VAL 69 CO 0.60 0.29 -0.16 0.61 0.02 0.00 0.00 177.57 178.93 1jh3 n GLY 70 N -0.34 -1.20 0.07 2.17 0.00 -1.26 -3.89 105.19 100.74 1jh3 n GLY 70 Ca -0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 3.28 0.04 -3.79 4.61 0.00 -1.52 -3.48 119.26 118.40 1jh3 h ALA 71 Ca 0.00 -0.47 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 1jh3 h ALA 71 Cb 0.43 0.36 -0.30 0.00 0.00 0.00 0.00 17.79 18.28 1jh3 h ALA 71 CO 0.00 0.35 -0.75 0.42 0.00 0.00 0.00 179.25 179.27 1jh3 s ILE 72 N -2.06 0.38 0.00 0.00 1.09 -0.28 -4.85 121.20 115.48 1jh3 s ILE 72 Ca -0.13 -0.16 0.00 0.00 -1.10 0.00 0.00 60.65 59.26 1jh3 s ILE 72 Cb 0.02 -0.35 0.00 0.00 -1.06 0.00 0.00 42.46 41.06 1jh3 s ILE 72 CO 0.25 0.13 0.00 0.18 -0.10 0.00 0.00 174.94 175.40 1jh3 n LEU 73 N 3.25 0.00 0.00 2.97 4.77 -1.26 -2.97 117.00 123.76 1jh3 n LEU 73 Ca -0.16 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 1jh3 n LEU 73 Cb 0.56 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 1jh3 n LEU 73 CO 0.25 0.00 -0.05 0.35 -1.33 0.00 0.00 177.39 176.61 1jh3 n THR 74 N -0.39 0.00 -0.08 -5.08 -2.24 -1.23 -4.21 114.28 101.05 1jh3 n THR 74 Ca 0.00 -1.05 -0.07 0.00 -2.27 0.00 0.00 64.05 60.66 1jh3 n THR 74 Cb 0.00 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.94 0.30 0.00 6.98 0.00 -1.88 -0.98 119.26 124.63 1jh3 h ALA 75 Ca -0.18 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jh3 h ALA 75 Cb 0.58 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jh3 h ALA 75 CO 0.29 -0.37 0.00 1.49 0.00 0.00 0.00 179.25 180.66 1jh3 h GLU 76 N 0.14 0.00 0.00 0.00 4.81 -1.85 0.80 114.58 118.49 1jh3 h GLU 76 Ca 0.14 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1jh3 h GLU 76 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1jh3 h GLU 76 CO -0.21 0.00 -0.07 1.58 -0.73 0.00 0.00 179.01 179.59 1jh3 n HIS 77 N -2.35 0.06 0.00 0.92 -0.00 -0.41 -4.54 115.22 108.90 1jh3 n HIS 77 Ca 0.02 0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1jh3 n HIS 77 Cb 0.24 -0.50 0.00 0.00 -0.12 0.00 0.00 29.99 29.61 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 -1.55 0.00 -0.83 1.57 0.00 -0.33 -4.78 116.66 110.74 1jh3 n ARG 78 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.88 1jh3 n ARG 78 Cb 0.35 -0.04 0.02 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 -1.53 0.00 -0.09 6.15 -0.00 0.13 -4.96 117.00 116.70 1jh3 n LEU 79 Ca 0.00 -0.31 0.26 0.00 -0.00 0.00 0.00 56.01 55.96 1jh3 n LEU 79 Cb 0.00 -0.11 0.65 0.00 -0.00 0.00 0.00 43.42 43.96 1jh3 n LEU 79 CO 0.00 -0.59 1.24 1.05 -0.00 0.00 0.00 177.39 179.09 1jh3 h GLU 80 N 0.00 0.00 0.00 1.47 4.11 -1.86 -3.34 114.58 114.96 1jh3 h GLU 80 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1jh3 h GLU 80 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jh3 h GLU 80 CO 0.05 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.54 1jh3 n GLY 81 N -1.61 0.51 0.00 1.06 0.00 -1.25 -4.76 105.19 99.13 1jh3 n GLY 81 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.28 1.61 5.12 -1.26 -4.82 116.66 116.03 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 -0.87 0.00 -3.65 -1.55 3.72 -1.26 -4.26 117.46 109.59 1jh3 n PHE 83 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1jh3 n PHE 83 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 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 -0.78 -0.68 -0.04 4.37 2.01 0.93 -4.29 115.64 117.16 1jh3 s THR 84 Ca 0.00 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1jh3 s THR 84 Cb 0.00 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 1jh3 s THR 84 CO 0.00 0.02 1.01 -0.69 -0.69 0.00 0.00 174.62 174.27 1jh3 s VAL 85 N 2.51 4.77 -0.42 3.82 1.01 -1.26 -0.94 120.40 129.89 1jh3 s VAL 85 Ca -0.06 2.00 0.00 0.00 0.00 0.00 0.00 61.98 63.93 1jh3 s VAL 85 Cb -0.11 -4.29 0.11 0.00 0.00 0.00 0.00 36.38 32.10 1jh3 s VAL 85 CO -0.17 0.09 0.18 -0.63 0.00 0.00 0.00 175.10 174.57 1jh3 s ILE 86 N 1.43 2.90 -1.03 2.22 -1.09 0.12 -0.49 121.20 125.25 1jh3 s ILE 86 Ca 0.51 -2.38 -0.15 0.00 -2.23 0.00 0.00 60.65 56.40 1jh3 s ILE 86 Cb -0.21 -3.02 0.17 0.00 -1.58 0.00 0.00 42.46 37.83 1jh3 s ILE 86 CO 0.24 -0.69 1.17 -0.60 -1.23 0.00 0.00 174.94 173.84 1jh3 s ARG 87 N 0.79 3.83 -0.37 2.79 3.52 0.53 -0.71 118.95 129.34 1jh3 s ARG 87 Ca 0.11 -2.31 -0.21 0.00 -0.13 0.00 0.00 55.73 53.18 1jh3 s ARG 87 Cb -0.21 -4.85 0.01 0.00 -1.56 0.00 0.00 34.95 28.33 1jh3 s ARG 87 CO -0.05 -1.64 0.69 0.50 -0.81 0.00 0.00 175.30 174.00 1jh3 s ARG 88 N 1.47 3.66 0.00 5.12 3.00 -0.23 -0.99 118.95 130.99 1jh3 s ARG 88 Ca 0.34 0.10 0.03 0.00 -1.00 0.00 0.00 55.73 55.19 1jh3 s ARG 88 Cb -0.06 -3.83 0.19 0.00 0.00 0.00 0.00 34.95 31.26 1jh3 s ARG 88 CO -0.06 -0.82 0.57 0.41 0.00 0.00 0.00 175.30 175.41 1jh3 n GLY 89 N 4.67 -0.14 0.21 8.12 0.00 -0.59 -1.58 105.19 115.87 1jh3 n GLY 89 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.55 0.00 1.61 3.64 -1.93 -3.45 116.57 117.00 1jh3 h LYS 90 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1jh3 h LYS 90 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1jh3 h LYS 90 CO 0.00 0.36 0.00 1.17 -2.27 0.00 0.00 179.45 178.71 1jh3 n LYS 91 N -4.83 0.00 0.00 1.90 4.81 -0.62 -5.19 118.16 114.23 1jh3 n LYS 91 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1jh3 n LYS 91 Cb 0.10 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.15 1jh3 n LYS 91 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1jh3 n LYS 92 N 0.00 0.00 -3.11 1.64 3.00 -1.00 -4.91 118.16 113.78 1jh3 n LYS 92 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 58.31 57.87 1jh3 n LYS 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 5.00 -2.70 5.64 4.02 -1.24 -1.06 117.16 126.82 1jh3 n TYR 93 Ca 0.00 -3.58 -0.37 0.00 -0.01 0.00 0.00 57.90 53.93 1jh3 n TYR 93 Cb 0.00 -1.94 -0.06 0.00 -0.02 0.00 0.00 39.34 37.32 1jh3 n TYR 93 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1jh3 s TYR 94 N 0.10 3.58 -0.09 -0.72 2.02 0.12 -4.65 117.35 117.71 1jh3 s TYR 94 Ca 0.37 1.75 -0.10 0.00 -0.37 0.00 0.00 57.07 58.72 1jh3 s TYR 94 Cb -0.06 -3.00 -0.05 0.00 -0.40 0.00 0.00 41.96 38.46 1jh3 s TYR 94 CO -0.03 -0.05 0.22 -1.17 -1.57 0.00 0.00 175.55 172.95 1jh3 s LEU 95 N -2.14 4.40 -0.04 -1.29 2.96 -1.22 -0.71 118.68 120.64 1jh3 s LEU 95 Ca 0.51 0.60 0.04 0.00 -0.22 0.00 0.00 54.13 55.07 1jh3 s LEU 95 Cb -0.21 -2.23 -0.00 0.00 0.50 0.00 0.00 46.19 44.25 1jh3 s LEU 95 CO 0.26 0.36 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.86 1jh3 s ILE 96 N -0.91 1.37 0.30 6.68 -1.09 -0.12 -0.67 121.20 126.77 1jh3 s ILE 96 Ca 0.17 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 1jh3 s ILE 96 Cb -0.13 -1.18 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 1jh3 s ILE 96 CO 0.06 0.40 0.15 0.00 -1.23 0.00 0.00 174.94 174.32 1jh3 s ARG 97 N 0.02 1.59 0.31 2.79 1.70 0.16 -0.05 118.95 125.46 1jh3 s ARG 97 Ca -0.03 -1.90 0.07 0.00 -0.47 0.00 0.00 55.73 53.39 1jh3 s ARG 97 Cb -0.11 -0.14 -0.02 0.00 -0.57 0.00 0.00 34.95 34.11 1jh3 s ARG 97 CO 0.02 -0.43 0.34 1.52 -1.08 0.00 0.00 175.30 175.67 1jh3 s TYR 98 N -3.61 3.09 -2.00 5.89 -0.85 -1.26 -1.66 117.35 116.96 1jh3 s TYR 98 Ca 0.35 -0.20 0.05 0.00 -0.52 0.00 0.00 57.07 56.75 1jh3 s TYR 98 Cb 0.05 -1.76 0.29 0.00 0.38 0.00 0.00 41.96 40.93 1jh3 s TYR 98 CO 0.17 0.22 0.76 0.00 -1.52 0.00 0.00 175.55 175.18