#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 s PRO 2 N 0.00 2.65 -1.36 1.61 0.04 -1.26 -4.89 135.00 131.78 1jh4 s PRO 2 Ca 0.00 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 1jh4 s PRO 2 Cb 0.00 -4.51 0.11 0.00 0.04 0.00 0.00 34.50 30.14 1jh4 s PRO 2 CO 0.00 -2.82 2.05 -0.11 0.04 0.00 0.00 177.00 176.16 1jh4 n LEU 3 N 12.80 6.81 -2.65 -3.56 0.00 -1.26 -4.80 117.00 124.33 1jh4 n LEU 3 Ca 0.23 -4.43 -0.29 0.00 0.00 0.00 0.00 56.01 51.52 1jh4 n LEU 3 Cb 0.51 -1.55 -0.05 0.00 0.00 0.00 0.00 43.42 42.33 1jh4 n LEU 3 CO 0.69 1.29 1.69 0.61 0.00 0.00 0.00 177.39 181.67 1jh4 n GLY 4 N 3.34 4.52 0.15 -3.96 0.00 -1.26 -4.43 105.19 103.55 1jh4 n GLY 4 Ca 0.46 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 1jh4 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jh4 n SER 5 N 0.94 1.92 0.00 1.61 7.64 -1.26 -4.71 113.62 119.76 1jh4 n SER 5 Ca 0.51 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1jh4 n SER 5 Cb 0.50 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1jh4 n SER 5 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1jh4 n PRO 6 N -4.25 0.00 -3.15 1.43 -0.02 -1.26 -4.65 135.00 123.10 1jh4 n PRO 6 Ca -0.50 0.52 -0.39 0.00 -2.02 0.00 0.00 63.50 61.12 1jh4 n PRO 6 Cb 0.84 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.88 1jh4 n PRO 6 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jh4 s LEU 7 N -3.81 4.49 -0.04 2.45 1.98 -1.26 -4.98 118.68 117.51 1jh4 s LEU 7 Ca 0.00 1.32 -0.04 0.00 -2.89 0.00 0.00 54.13 52.52 1jh4 s LEU 7 Cb 0.00 -3.02 -0.27 0.00 0.66 0.00 0.00 46.19 43.55 1jh4 s LEU 7 CO 0.00 0.16 0.69 0.71 -1.89 0.00 0.00 176.35 176.02 1jh4 h THR 8 N 3.82 0.96 0.00 3.68 1.35 -1.89 -2.98 112.91 117.85 1jh4 h THR 8 Ca -0.47 -2.63 0.00 0.00 -0.55 0.00 0.00 66.41 62.76 1jh4 h THR 8 Cb 1.21 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 1jh4 h THR 8 CO 0.67 0.81 0.00 0.00 -0.25 0.00 0.00 175.52 176.75 1jh4 n ALA 9 N -2.76 -0.47 0.25 6.62 0.00 -1.26 -2.20 120.51 120.68 1jh4 n ALA 9 Ca -0.21 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.40 1jh4 n ALA 9 Cb 1.05 0.02 0.89 0.00 0.00 0.00 0.00 19.45 21.41 1jh4 n ALA 9 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jh4 h SER 10 N 0.00 0.00 -0.35 0.00 4.64 -1.98 -1.69 113.55 114.17 1jh4 h SER 10 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1jh4 h SER 10 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1jh4 h SER 10 CO 0.00 0.00 0.13 -0.03 -0.87 0.00 0.00 176.83 176.06 1jh4 h MET 11 N 0.00 0.52 0.46 4.77 1.85 -1.35 0.12 114.93 121.30 1jh4 h MET 11 Ca 0.05 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 1jh4 h MET 11 Cb 0.34 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.26 1jh4 h MET 11 CO -0.00 0.52 -0.51 1.25 -0.40 0.00 0.00 176.91 177.77 1jh4 h LEU 12 N 0.41 -1.40 0.00 3.39 7.12 -0.81 0.29 115.31 124.30 1jh4 h LEU 12 Ca 0.11 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1jh4 h LEU 12 Cb 0.20 0.47 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1jh4 h LEU 12 CO -0.01 -0.65 0.00 0.00 -0.13 0.00 0.00 178.44 177.65 1jh4 n ALA 13 N -2.82 2.09 -0.28 1.25 0.00 -1.19 -2.34 120.51 117.21 1jh4 n ALA 13 Ca -0.12 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1jh4 n ALA 13 Cb 0.45 -1.08 0.31 0.00 0.00 0.00 0.00 19.45 19.13 1jh4 n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jh4 n SER 14 N -0.64 3.90 -4.06 0.00 7.64 0.09 -4.93 113.62 115.61 1jh4 n SER 14 Ca 0.04 -2.00 -0.15 0.00 1.01 0.00 0.00 58.87 57.77 1jh4 n SER 14 Cb 0.02 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 62.64 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 s ALA 15 N -1.06 0.65 0.77 -0.43 0.00 -0.99 -4.83 121.76 115.87 1jh4 s ALA 15 Ca 0.48 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 1jh4 s ALA 15 Cb 0.25 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1jh4 s ALA 15 CO 0.33 0.05 -0.18 -2.30 0.00 0.00 0.00 175.76 173.66 1jh4 n PRO 16 N 1.80 -0.76 0.00 0.00 -0.01 -1.26 -4.59 135.00 130.18 1jh4 n PRO 16 Ca -0.20 -0.23 0.00 0.00 -0.01 0.00 0.00 63.50 63.06 1jh4 n PRO 16 Cb 0.55 -1.17 0.00 0.00 -0.01 0.00 0.00 33.50 32.87 1jh4 n PRO 16 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1jh4 n PRO 17 N 0.77 0.00 0.32 0.52 -0.02 -1.26 -2.15 135.00 133.18 1jh4 n PRO 17 Ca 0.01 0.27 0.19 0.00 -2.02 0.00 0.00 63.50 61.95 1jh4 n PRO 17 Cb 0.27 -0.94 1.00 0.00 -0.02 0.00 0.00 33.50 33.80 1jh4 n PRO 17 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1jh4 h GLN 18 N 0.00 0.00 -1.60 -0.52 -0.00 -2.02 -1.89 115.11 109.07 1jh4 h GLN 18 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1jh4 h GLN 18 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.42 1jh4 h GLN 18 CO 0.00 0.00 0.16 0.39 -0.00 0.00 0.00 178.83 179.38 1jh4 n GLU 19 N -3.08 1.31 0.00 0.06 1.02 -0.91 -4.48 120.64 114.56 1jh4 n GLU 19 Ca -0.02 -0.64 0.00 0.00 -0.02 0.00 0.00 57.16 56.48 1jh4 n GLU 19 Cb 0.24 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1jh4 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jh4 n GLN 20 N 0.81 0.00 0.00 3.49 10.64 -0.71 -4.08 117.38 127.53 1jh4 n GLN 20 Ca 0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 1jh4 n GLN 20 Cb 0.58 -0.40 0.00 0.00 -0.86 0.00 0.00 30.24 29.56 1jh4 n GLN 20 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1jh4 n LYS 21 N -0.15 0.95 0.23 2.61 5.02 -1.26 -4.13 118.16 121.43 1jh4 n LYS 21 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1jh4 n LYS 21 Cb 0.00 -1.33 -0.08 0.00 -0.02 0.00 0.00 35.03 33.60 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1jh4 h GLN 22 N 0.03 -0.53 0.00 1.97 -0.00 -1.77 -3.15 115.11 111.67 1jh4 h GLN 22 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1jh4 h GLN 22 Cb 0.33 0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1jh4 h GLN 22 CO 0.00 -0.28 0.00 -1.33 0.00 0.00 0.00 178.83 177.22 1jh4 n MET 23 N -5.27 0.00 -0.19 1.69 0.00 -1.26 -3.86 117.12 108.22 1jh4 n MET 23 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.54 1jh4 n MET 23 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 33.22 33.26 1jh4 n MET 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1jh4 n LEU 24 N 0.00 1.21 0.00 4.03 -0.00 -1.26 -4.89 117.00 116.10 1jh4 n LEU 24 Ca 0.00 -1.34 0.00 0.00 -0.00 0.00 0.00 56.01 54.67 1jh4 n LEU 24 Cb 0.00 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 42.89 1jh4 n LEU 24 CO 0.00 -0.54 0.00 0.61 -0.00 0.00 0.00 177.39 177.46 1jh4 n GLY 25 N 3.61 0.70 0.00 1.47 0.00 -1.19 -4.08 105.19 105.70 1jh4 n GLY 25 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1jh4 n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jh4 n GLU 26 N 7.66 0.00 -0.21 1.61 -0.00 -1.26 -4.38 120.64 124.06 1jh4 n GLU 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1jh4 n GLU 26 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 31.44 31.13 1jh4 n GLU 26 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1jh4 n ARG 27 N -0.18 0.03 -0.03 3.44 3.00 -1.26 -4.89 116.66 116.77 1jh4 n ARG 27 Ca 0.00 -0.74 -0.15 0.00 -0.00 0.00 0.00 57.85 56.96 1jh4 n ARG 27 Cb 0.00 -0.51 -0.11 0.00 0.00 0.00 0.00 32.46 31.84 1jh4 n ARG 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1jh4 h LEU 28 N 0.00 0.24 -0.78 6.15 3.38 -1.90 -3.23 115.31 119.17 1jh4 h LEU 28 Ca 0.00 -0.75 0.18 0.00 0.09 0.00 0.00 57.88 57.40 1jh4 h LEU 28 Cb 1.17 -0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1jh4 h LEU 28 CO 0.00 0.96 0.15 0.15 0.09 0.00 0.00 178.44 179.79 1jh4 h PHE 29 N -0.46 0.22 -0.54 1.13 3.57 -1.79 0.54 116.94 119.62 1jh4 h PHE 29 Ca -0.03 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jh4 h PHE 29 Cb 0.98 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1jh4 h PHE 29 CO 0.17 -0.15 0.32 -1.35 -2.23 0.00 0.00 178.31 175.07 1jh4 h PRO 30 N 0.22 0.73 -0.08 6.41 0.11 -1.88 1.05 132.00 138.56 1jh4 h PRO 30 Ca 0.45 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 1jh4 h PRO 30 Cb 0.81 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1jh4 h PRO 30 CO -0.58 0.53 -0.15 -0.07 -0.21 0.00 0.00 178.00 177.52 1jh4 h LEU 31 N 0.72 0.28 -0.31 2.35 3.38 -1.13 -2.99 115.31 117.61 1jh4 h LEU 31 Ca 0.19 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1jh4 h LEU 31 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jh4 h LEU 31 CO -0.04 0.78 -0.04 -0.29 0.09 0.00 0.00 178.44 178.94 1jh4 h ILE 32 N -0.21 1.27 -0.94 1.22 -0.00 0.07 -2.63 117.51 116.30 1jh4 h ILE 32 Ca 0.00 -1.04 0.28 0.00 -0.00 0.00 0.00 64.86 64.10 1jh4 h ILE 32 Cb 0.73 1.33 -0.15 0.00 -0.00 0.00 0.00 36.82 38.73 1jh4 h ILE 32 CO 0.03 0.34 0.34 1.56 -0.00 0.00 0.00 178.15 180.42 1jh4 h GLN 33 N 0.35 0.20 -0.71 2.19 4.20 0.11 2.31 115.11 123.76 1jh4 h GLN 33 Ca 0.08 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.87 1jh4 h GLN 33 Cb 0.51 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.20 1jh4 h GLN 33 CO 0.02 0.13 0.47 0.00 -0.67 0.00 0.00 178.83 178.79 1jh4 h ALA 34 N 1.84 1.82 0.00 3.87 0.00 -1.31 -3.25 119.26 122.22 1jh4 h ALA 34 Ca 0.64 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 55.16 1jh4 h ALA 34 Cb 1.38 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1jh4 h ALA 34 CO -0.68 0.05 -2.22 -1.33 0.00 0.00 0.00 179.25 175.08 1jh4 n MET 35 N -4.49 0.58 -3.56 0.00 2.81 0.37 -5.03 117.12 107.80 1jh4 n MET 35 Ca 0.11 0.27 -0.20 0.00 -1.81 0.00 0.00 57.70 56.07 1jh4 n MET 35 Cb 0.30 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.39 1jh4 n MET 35 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1jh4 n HIS 36 N -4.30 -2.26 0.00 2.03 8.25 0.69 -4.96 115.22 114.67 1jh4 n HIS 36 Ca -0.47 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 57.92 1jh4 n HIS 36 Cb 0.81 -4.84 0.00 0.00 1.12 0.00 0.00 29.99 27.08 1jh4 n HIS 36 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1jh4 n PRO 37 N -4.36 0.00 -0.11 -0.41 -0.04 -1.26 -4.70 135.00 124.12 1jh4 n PRO 37 Ca -0.22 0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 1jh4 n PRO 37 Cb 0.64 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.83 1jh4 n PRO 37 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jh4 n THR 38 N -1.30 1.50 -3.15 0.52 -2.24 -1.26 -5.03 114.28 103.33 1jh4 n THR 38 Ca 0.00 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.78 1jh4 n THR 38 Cb 0.00 -2.17 -0.01 0.00 -2.10 0.00 0.00 70.33 66.05 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jh4 s LEU 39 N -7.80 -0.73 0.19 3.22 1.43 -1.26 -5.02 118.68 108.70 1jh4 s LEU 39 Ca -0.31 0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 53.02 1jh4 s LEU 39 Cb 0.08 1.59 0.15 0.00 0.03 0.00 0.00 46.19 48.03 1jh4 s LEU 39 CO 0.44 -0.14 1.63 0.00 0.23 0.00 0.00 176.35 178.51 1jh4 h ALA 40 N 7.94 0.19 -0.33 4.21 0.00 -1.91 1.32 119.26 130.68 1jh4 h ALA 40 Ca -0.15 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jh4 h ALA 40 Cb 1.17 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1jh4 h ALA 40 CO -0.00 -0.53 0.15 0.78 0.00 0.00 0.00 179.25 179.65 1jh4 h GLY 41 N -0.08 0.52 0.90 0.00 0.00 -1.97 -2.64 103.07 99.80 1jh4 h GLY 41 Ca 0.24 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1jh4 h GLY 41 CO -0.56 0.26 -0.69 0.50 0.00 0.00 0.00 176.54 176.05 1jh4 h LYS 42 N 0.40 0.51 -0.82 4.80 1.79 -1.82 -3.23 116.57 118.19 1jh4 h LYS 42 Ca 0.11 -0.51 0.11 0.00 -2.18 0.00 0.00 60.65 58.18 1jh4 h LYS 42 Cb 0.15 0.14 -0.08 0.00 -1.58 0.00 0.00 32.23 30.86 1jh4 h LYS 42 CO -0.01 1.15 0.45 0.82 -1.08 0.00 0.00 179.45 180.78 1jh4 h ILE 43 N 0.06 0.86 -0.28 1.86 2.04 0.17 -1.93 117.51 120.28 1jh4 h ILE 43 Ca -0.08 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.58 1jh4 h ILE 43 Cb 1.37 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 1jh4 h ILE 43 CO 0.14 0.13 0.00 0.74 0.00 0.00 0.00 178.15 179.16 1jh4 h THR 44 N 0.73 0.80 -0.61 -0.27 2.02 -1.53 -1.29 112.91 112.76 1jh4 h THR 44 Ca 0.41 -0.03 0.17 0.00 0.77 0.00 0.00 66.41 67.73 1jh4 h THR 44 Cb 0.44 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1jh4 h THR 44 CO -0.28 0.02 0.43 1.23 0.37 0.00 0.00 175.52 177.29 1jh4 h GLY 45 N 0.09 0.03 0.19 2.16 0.00 -1.37 0.15 103.07 104.31 1jh4 h GLY 45 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1jh4 h GLY 45 CO -0.22 0.00 -0.08 -0.33 0.00 0.00 0.00 176.54 175.91 1jh4 h MET 46 N 0.02 -0.23 -0.07 4.80 2.07 -1.15 -3.28 114.93 117.08 1jh4 h MET 46 Ca 0.29 0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.95 1jh4 h MET 46 Cb 1.13 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.91 1jh4 h MET 46 CO -0.01 -0.10 0.12 -0.07 1.07 0.00 0.00 176.91 177.93 1jh4 h LEU 47 N -1.05 0.00 -0.71 1.22 -0.00 -1.04 -2.96 115.31 110.77 1jh4 h LEU 47 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1jh4 h LEU 47 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 1jh4 h LEU 47 CO 0.04 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.66 1jh4 n LEU 48 N -3.49 0.00 0.00 1.67 4.32 0.01 -3.02 117.00 116.49 1jh4 n LEU 48 Ca -0.01 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.08 1jh4 n LEU 48 Cb 0.21 0.00 0.45 0.00 -1.62 0.00 0.00 43.42 42.46 1jh4 n LEU 48 CO 0.24 0.00 0.82 1.21 -1.22 0.00 0.00 177.39 178.44 1jh4 n GLU 49 N 0.16 0.05 -3.79 3.23 0.00 -1.12 -4.79 120.64 114.39 1jh4 n GLU 49 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 57.16 57.06 1jh4 n GLU 49 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 29.92 1jh4 n GLU 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1jh4 s ILE 50 N -2.93 2.10 0.38 6.31 1.10 -1.17 -5.11 121.20 121.89 1jh4 s ILE 50 Ca 0.11 -1.46 -0.25 0.00 -0.51 0.00 0.00 60.65 58.54 1jh4 s ILE 50 Cb 0.13 -2.56 -0.09 0.00 0.15 0.00 0.00 42.46 40.09 1jh4 s ILE 50 CO 0.36 0.00 1.10 -1.81 -2.11 0.00 0.00 174.94 172.48 1jh4 s ASP 51 N -4.18 6.76 0.61 4.50 1.01 -1.26 -4.89 116.67 119.22 1jh4 s ASP 51 Ca 0.41 2.18 0.26 0.00 0.71 0.00 0.00 52.55 56.11 1jh4 s ASP 51 Cb -0.02 -2.60 1.27 0.00 1.01 0.00 0.00 42.92 42.58 1jh4 s ASP 51 CO 0.24 -0.49 1.69 -1.13 0.21 0.00 0.00 175.17 175.69 1jh4 h ASN 52 N 2.77 0.00 0.65 0.27 -1.24 -1.99 0.41 115.58 116.44 1jh4 h ASN 52 Ca -0.48 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 56.38 1jh4 h ASN 52 Cb 1.22 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.25 1jh4 h ASN 52 CO 0.63 0.00 -0.69 0.28 -1.29 0.00 0.00 177.43 176.36 1jh4 h SER 53 N 0.00 0.05 -0.02 1.15 0.02 -2.00 -3.01 113.55 109.74 1jh4 h SER 53 Ca 0.23 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 1jh4 h SER 53 Cb 1.57 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 64.10 1jh4 h SER 53 CO -0.00 0.72 -0.32 -0.08 -1.14 0.00 0.00 176.83 176.02 1jh4 h GLU 54 N 0.03 0.25 0.00 3.45 4.22 -0.54 -3.13 114.58 118.85 1jh4 h GLU 54 Ca -0.01 -0.24 -0.01 0.00 0.08 0.00 0.00 59.36 59.18 1jh4 h GLU 54 Cb 1.23 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1jh4 h GLU 54 CO 0.09 0.94 -0.04 -0.07 -2.18 0.00 0.00 179.01 177.75 1jh4 h LEU 55 N -0.35 0.00 -0.33 1.64 3.38 -1.60 -1.56 115.31 116.48 1jh4 h LEU 55 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1jh4 h LEU 55 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1jh4 h LEU 55 CO 0.06 0.04 -0.09 -0.07 0.09 0.00 0.00 178.44 178.47 1jh4 h LEU 56 N 0.00 0.65 -1.70 1.67 3.38 -1.51 -2.78 115.31 115.03 1jh4 h LEU 56 Ca -0.00 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.68 1jh4 h LEU 56 Cb 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1jh4 h LEU 56 CO 0.00 0.87 0.34 0.45 0.09 0.00 0.00 178.44 180.20 1jh4 h HIS 57 N 0.43 0.36 -0.33 1.13 3.86 -1.23 -1.44 115.15 117.93 1jh4 h HIS 57 Ca 0.08 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1jh4 h HIS 57 Cb 0.59 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1jh4 h HIS 57 CO 0.05 0.18 0.06 0.52 0.86 0.00 0.00 177.93 179.61 1jh4 h MET 58 N 0.35 0.55 -0.00 2.45 2.86 -1.35 -2.21 114.93 117.58 1jh4 h MET 58 Ca 0.23 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1jh4 h MET 58 Cb 0.45 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1jh4 h MET 58 CO -0.06 0.62 0.00 1.25 1.06 0.00 0.00 176.91 179.79 1jh4 h LEU 59 N 0.38 0.00 -0.44 1.22 6.46 -1.11 0.14 115.31 121.96 1jh4 h LEU 59 Ca 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1jh4 h LEU 59 Cb 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 1jh4 h LEU 59 CO 0.00 0.00 -0.51 -1.84 -0.62 0.00 0.00 178.44 175.47 1jh4 n GLU 60 N -3.58 0.61 -3.46 1.25 0.28 -0.96 -4.72 120.64 110.06 1jh4 n GLU 60 Ca -0.03 -0.44 -0.24 0.00 -0.16 0.00 0.00 57.16 56.29 1jh4 n GLU 60 Cb 0.08 -1.49 -0.12 0.00 1.43 0.00 0.00 31.44 31.34 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1jh4 s SER 61 N -2.69 2.59 0.48 -1.84 0.01 0.48 -5.01 113.70 107.72 1jh4 s SER 61 Ca 0.17 -1.43 0.26 0.00 1.31 0.00 0.00 55.95 56.25 1jh4 s SER 61 Cb 0.18 -0.02 1.32 0.00 0.21 0.00 0.00 66.02 67.71 1jh4 s SER 61 CO 0.64 -0.37 1.86 -0.65 0.41 0.00 0.00 173.24 175.13 1jh4 h PRO 62 N 7.81 0.17 0.30 12.44 0.11 -1.84 -0.26 132.00 150.73 1jh4 h PRO 62 Ca -0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1jh4 h PRO 62 Cb 1.02 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1jh4 h PRO 62 CO 0.33 0.11 -0.35 1.05 -0.21 0.00 0.00 178.00 178.94 1jh4 h GLU 63 N 0.17 -0.66 -0.00 1.05 -0.00 -1.95 0.25 114.58 113.44 1jh4 h GLU 63 Ca 0.47 0.05 -0.17 0.00 -0.00 0.00 0.00 59.36 59.70 1jh4 h GLU 63 Cb 1.54 0.15 -0.02 0.00 -0.00 0.00 0.00 28.75 30.42 1jh4 h GLU 63 CO -0.09 -0.44 -0.79 1.03 -0.00 0.00 0.00 179.01 178.71 1jh4 h SER 64 N -0.69 0.00 0.48 3.06 0.87 -1.74 -3.12 113.55 112.41 1jh4 h SER 64 Ca -0.01 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1jh4 h SER 64 Cb 0.64 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1jh4 h SER 64 CO -0.09 0.80 -0.31 0.25 -0.53 0.00 0.00 176.83 176.94 1jh4 h LEU 65 N 0.00 -0.80 -1.63 2.23 7.12 -0.74 -2.62 115.31 118.87 1jh4 h LEU 65 Ca -0.01 0.05 0.12 0.00 0.13 0.00 0.00 57.88 58.16 1jh4 h LEU 65 Cb 1.41 0.24 -0.04 0.00 -0.53 0.00 0.00 40.66 41.74 1jh4 h LEU 65 CO 0.10 -0.47 0.43 -0.09 -0.13 0.00 0.00 178.44 178.28 1jh4 h ARG 66 N -0.75 0.39 -0.60 1.25 2.43 -1.06 -1.57 114.38 114.47 1jh4 h ARG 66 Ca -0.06 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1jh4 h ARG 66 Cb 0.61 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.97 1jh4 h ARG 66 CO 0.05 0.26 0.00 0.77 -1.51 0.00 0.00 179.97 179.55 1jh4 h SER 67 N 0.40 -0.26 0.06 -3.80 0.02 -1.41 0.79 113.55 109.36 1jh4 h SER 67 Ca 0.30 0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 61.31 1jh4 h SER 67 Cb 0.65 0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.45 1jh4 h SER 67 CO -0.09 -0.10 -0.43 0.11 -1.14 0.00 0.00 176.83 175.18 1jh4 h LYS 68 N 0.12 0.12 0.25 3.45 1.57 -1.09 -3.18 116.57 117.81 1jh4 h LYS 68 Ca 0.31 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1jh4 h LYS 68 Cb 0.49 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1jh4 h LYS 68 CO -0.51 1.10 -0.12 0.28 -0.57 0.00 0.00 179.45 179.63 1jh4 h VAL 69 N -0.74 0.77 -0.46 0.50 2.07 -1.17 -1.39 116.25 115.84 1jh4 h VAL 69 Ca -0.09 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1jh4 h VAL 69 Cb 1.28 0.86 -0.10 0.00 -1.52 0.00 0.00 31.29 31.81 1jh4 h VAL 69 CO 0.05 0.03 -0.34 -0.78 0.02 0.00 0.00 177.57 176.55 1jh4 h ASP 70 N -0.41 -1.15 -0.55 0.57 3.58 0.44 0.16 116.42 119.06 1jh4 h ASP 70 Ca -0.03 0.21 0.11 0.00 0.42 0.00 0.00 57.03 57.73 1jh4 h ASP 70 Cb 0.31 0.54 -0.10 0.00 1.72 0.00 0.00 39.33 41.80 1jh4 h ASP 70 CO 0.06 -0.32 -0.12 -0.33 -2.88 0.00 0.00 179.24 175.65 1jh4 h GLU 71 N -0.23 0.01 -0.71 0.28 3.07 -1.49 -0.58 114.58 114.92 1jh4 h GLU 71 Ca 0.19 -0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.18 1jh4 h GLU 71 Cb 0.55 -0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.32 1jh4 h GLU 71 CO -0.58 0.01 -0.28 0.00 -1.40 0.00 0.00 179.01 176.75 1jh4 h ALA 72 N 1.55 0.21 -0.58 3.43 0.00 0.44 0.51 119.26 124.82 1jh4 h ALA 72 Ca 0.27 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.52 1jh4 h ALA 72 Cb 0.41 0.73 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1jh4 h ALA 72 CO -0.56 -0.56 0.13 0.28 0.00 0.00 0.00 179.25 178.55 1jh4 h VAL 73 N -0.08 0.67 0.09 0.00 2.07 -0.48 0.93 116.25 119.44 1jh4 h VAL 73 Ca 0.30 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 1jh4 h VAL 73 Cb 0.56 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1jh4 h VAL 73 CO -0.76 0.05 -0.04 0.00 0.02 0.00 0.00 177.57 176.83 1jh4 h ALA 74 N 1.45 -0.11 0.61 1.67 0.00 -0.49 -2.66 119.26 119.73 1jh4 h ALA 74 Ca 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jh4 h ALA 74 Cb 0.43 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jh4 h ALA 74 CO -0.38 -0.23 -0.29 -0.24 0.00 0.00 0.00 179.25 178.12 1jh4 h VAL 75 N -0.79 0.15 -0.41 0.00 3.04 0.03 -2.85 116.25 115.41 1jh4 h VAL 75 Ca -0.01 -0.38 0.09 0.00 -1.01 0.00 0.00 66.70 65.39 1jh4 h VAL 75 Cb 0.59 0.21 -0.09 0.00 -2.01 0.00 0.00 31.29 29.99 1jh4 h VAL 75 CO 0.02 0.02 -0.17 0.25 -1.01 0.00 0.00 177.57 176.68 1jh4 h LEU 76 N -1.14 -0.60 -1.47 3.16 6.46 0.73 0.55 115.31 123.00 1jh4 h LEU 76 Ca -0.08 0.15 0.24 0.00 -0.12 0.00 0.00 57.88 58.06 1jh4 h LEU 76 Cb 0.66 0.34 -0.08 0.00 -0.73 0.00 0.00 40.66 40.86 1jh4 h LEU 76 CO 0.14 -0.21 0.64 1.56 -0.62 0.00 0.00 178.44 179.95 1jh4 h GLN 77 N -0.09 0.37 0.02 1.25 1.08 -1.48 0.33 115.11 116.58 1jh4 h GLN 77 Ca 0.20 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 1jh4 h GLN 77 Cb 0.40 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1jh4 h GLN 77 CO -0.48 0.25 -0.22 0.00 -0.95 0.00 0.00 178.83 177.43 1jh4 h ALA 78 N 1.60 0.02 0.00 3.87 0.00 -0.38 -3.29 119.26 121.08 1jh4 h ALA 78 Ca 0.53 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jh4 h ALA 78 Cb 1.38 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jh4 h ALA 78 CO -0.22 0.11 0.00 0.72 0.00 0.00 0.00 179.25 179.86 1jh4 n HIS 79 N -4.53 0.00 -0.06 0.00 8.25 0.16 -3.54 115.22 115.49 1jh4 n HIS 79 Ca -0.13 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.18 1jh4 n HIS 79 Cb 0.54 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 1jh4 n HIS 79 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1jh4 h GLN 80 N 0.05 0.83 -7.38 -0.41 4.20 -0.46 -3.46 115.11 108.48 1jh4 h GLN 80 Ca 0.00 -0.56 -0.46 0.00 0.06 0.00 0.00 58.65 57.69 1jh4 h GLN 80 Cb 0.10 0.08 0.12 0.00 0.30 0.00 0.00 27.48 28.08 1jh4 h GLN 80 CO 0.00 1.19 0.22 0.00 -0.67 0.00 0.00 178.83 179.57 1jh4 s ALA 81 N -4.03 3.20 -0.17 3.87 0.00 -1.23 -5.01 121.76 118.39 1jh4 s ALA 81 Ca -0.11 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 49.91 1jh4 s ALA 81 Cb 0.09 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1jh4 s ALA 81 CO 0.89 -1.89 1.35 0.15 0.00 0.00 0.00 175.76 176.25 1jh4 s LYS 82 N -5.44 4.15 0.14 0.00 -0.14 -1.26 -4.99 119.74 112.20 1jh4 s LYS 82 Ca 0.70 1.67 -0.30 0.00 -1.36 0.00 0.00 55.97 56.69 1jh4 s LYS 82 Cb -0.04 -3.83 -0.07 0.00 -1.68 0.00 0.00 37.83 32.21 1jh4 s LYS 82 CO 0.48 -0.83 1.15 -2.00 -0.76 0.00 0.00 175.35 173.39 1jh4 s GLU 83 N 3.76 4.52 0.59 1.68 2.56 -1.26 -5.01 118.70 125.54 1jh4 s GLU 83 Ca 0.59 1.76 -0.19 0.00 0.00 0.00 0.00 54.97 57.13 1jh4 s GLU 83 Cb -0.23 -3.30 -0.04 0.00 2.00 0.00 0.00 34.13 32.57 1jh4 s GLU 83 CO 0.19 -0.06 1.18 0.00 -0.56 0.00 0.00 175.26 176.00 1jh4 s ALA 84 N 0.22 2.57 -0.53 6.30 0.00 -1.26 -4.90 121.76 124.16 1jh4 s ALA 84 Ca 0.53 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.34 1jh4 s ALA 84 Cb -0.30 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.30 1jh4 s ALA 84 CO 0.33 -1.08 3.16 0.00 0.00 0.00 0.00 175.76 178.18 1jh4 n ALA 85 N -1.60 6.65 -1.22 0.00 0.00 -1.26 -4.74 120.51 118.33 1jh4 n ALA 85 Ca 0.13 -2.68 -0.27 0.00 0.00 0.00 0.00 53.44 50.61 1jh4 n ALA 85 Cb 0.50 -2.50 -0.09 0.00 0.00 0.00 0.00 19.45 17.37 1jh4 n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jh4 n GLN 86 N 2.15 2.98 0.00 0.00 6.02 -1.26 -4.90 117.38 122.37 1jh4 n GLN 86 Ca 0.53 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.76 1jh4 n GLN 86 Cb 0.63 -2.43 0.00 0.00 1.02 0.00 0.00 30.24 29.47 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1jh4 n LYS 87 N 2.93 0.42 -1.44 -1.09 3.00 -1.26 -5.05 118.16 115.67 1jh4 n LYS 87 Ca 0.62 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.63 1jh4 n LYS 87 Cb 0.54 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.76 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jh4 s ALA 88 N -3.68 1.38 -0.31 3.14 0.00 -1.26 -4.92 121.76 116.12 1jh4 s ALA 88 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 1jh4 s ALA 88 Cb 0.00 -2.91 0.09 0.00 0.00 0.00 0.00 23.12 20.30 1jh4 s ALA 88 CO 0.00 -2.87 2.47 0.28 0.00 0.00 0.00 175.76 175.63 1jh4 n VAL 89 N -4.18 2.94 -2.64 0.00 0.31 -1.26 -4.89 118.33 108.61 1jh4 n VAL 89 Ca 0.11 -2.03 -0.39 0.00 -0.01 0.00 0.00 64.34 62.03 1jh4 n VAL 89 Cb 0.59 -1.52 -0.05 0.00 -0.91 0.00 0.00 33.84 31.96 1jh4 n VAL 89 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1jh4 s ASN 90 N 0.58 7.30 -0.16 4.52 0.01 -1.26 -5.00 114.94 120.93 1jh4 s ASN 90 Ca 0.43 2.04 -0.14 0.00 -0.71 0.00 0.00 52.86 54.47 1jh4 s ASN 90 Cb 0.28 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.29 1jh4 s ASN 90 CO -0.08 -0.10 -0.27 -1.20 -1.51 0.00 0.00 177.10 173.93 1jh4 n SER 91 N 0.89 1.83 0.18 -1.22 7.64 -1.26 -3.52 113.62 118.17 1jh4 n SER 91 Ca 0.00 0.45 0.07 0.00 1.01 0.00 0.00 58.87 60.40 1jh4 n SER 91 Cb 0.48 -0.79 0.21 0.00 -1.01 0.00 0.00 64.21 63.10 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 h ALA 92 N -1.03 0.85 0.00 -0.43 0.00 -2.03 -3.38 119.26 113.24 1jh4 h ALA 92 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jh4 h ALA 92 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1jh4 h ALA 92 CO 0.00 0.41 -0.14 2.41 0.00 0.00 0.00 179.25 181.94 1jh4 n THR 93 N -3.28 0.38 -3.35 0.00 -1.04 -1.26 -4.96 114.28 100.77 1jh4 n THR 93 Ca 0.02 0.43 -0.34 0.00 -2.04 0.00 0.00 64.05 62.11 1jh4 n THR 93 Cb 0.59 -1.74 -0.06 0.00 -1.82 0.00 0.00 70.33 67.30 1jh4 n THR 93 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1jh4 s GLY 94 N -2.97 2.40 -0.44 3.41 0.00 -1.23 -5.05 107.32 103.44 1jh4 s GLY 94 Ca -0.04 -0.15 -0.24 0.00 0.00 0.00 0.00 44.72 44.29 1jh4 s GLY 94 CO 0.06 0.08 0.81 -1.34 0.00 0.00 0.00 173.10 172.71 1jh4 s VAL 95 N -1.62 4.62 0.30 1.40 -7.23 -1.26 -3.99 120.40 112.62 1jh4 s VAL 95 Ca 0.42 0.55 0.06 0.00 -1.81 0.00 0.00 61.98 61.20 1jh4 s VAL 95 Cb -0.13 -4.33 0.05 0.00 0.56 0.00 0.00 36.38 32.53 1jh4 s VAL 95 CO 0.20 -0.70 1.72 1.55 -0.31 0.00 0.00 175.10 177.55 1jh4 h PRO 96 N 8.93 0.31 -5.12 4.82 0.13 -1.86 -3.41 132.00 135.80 1jh4 h PRO 96 Ca -0.25 -0.13 -0.64 0.00 -0.87 0.00 0.00 66.00 64.11 1jh4 h PRO 96 Cb 1.08 -0.01 -0.22 0.00 0.13 0.00 0.00 31.00 31.98 1jh4 h PRO 96 CO 0.97 0.62 -0.65 -0.08 -0.23 0.00 0.00 178.00 178.63 1jh4 s THR 97 N -4.28 4.08 -0.82 1.56 -1.32 -1.26 -5.20 115.64 108.40 1jh4 s THR 97 Ca -0.05 -0.27 0.07 0.00 -1.21 0.00 0.00 61.69 60.22 1jh4 s THR 97 Cb 0.14 -2.85 0.05 0.00 -1.51 0.00 0.00 72.50 68.33 1jh4 s THR 97 CO 0.77 0.42 0.71 0.52 -2.21 0.00 0.00 174.62 174.83