#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 h PRO 2 N 0.00 0.20 -3.18 1.61 0.13 -1.99 -3.33 132.00 125.44 1jh4 h PRO 2 Ca 0.00 -0.11 -0.46 0.00 -0.87 0.00 0.00 66.00 64.56 1jh4 h PRO 2 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1jh4 h PRO 2 CO 0.00 0.66 2.81 -0.11 -0.23 0.00 0.00 178.00 181.13 1jh4 n LEU 3 N -3.95 6.18 -4.63 1.56 0.00 -1.26 -4.87 117.00 110.04 1jh4 n LEU 3 Ca -0.02 -3.37 -0.34 0.00 0.00 0.00 0.00 56.01 52.28 1jh4 n LEU 3 Cb 0.54 -1.25 -0.10 0.00 0.00 0.00 0.00 43.42 42.61 1jh4 n LEU 3 CO 0.43 1.17 -0.32 -0.83 0.00 0.00 0.00 177.39 177.84 1jh4 s GLY 4 N 2.88 1.81 -0.21 -3.96 0.00 -1.25 -5.03 107.32 101.57 1jh4 s GLY 4 Ca 0.51 -0.81 -0.18 0.00 0.00 0.00 0.00 44.72 44.24 1jh4 s GLY 4 CO -0.04 -0.42 0.03 -1.26 0.00 0.00 0.00 173.10 171.41 1jh4 n SER 5 N 2.56 1.87 -4.54 1.64 2.88 -1.26 -4.90 113.62 111.87 1jh4 n SER 5 Ca -0.18 0.44 -0.52 0.00 -1.33 0.00 0.00 58.87 57.28 1jh4 n SER 5 Cb 0.53 -0.92 -0.07 0.00 -0.75 0.00 0.00 64.21 63.01 1jh4 n SER 5 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1jh4 n PRO 6 N -4.44 1.26 -3.48 -1.46 -0.02 -1.26 -4.94 135.00 120.67 1jh4 n PRO 6 Ca -0.31 0.40 -0.37 0.00 -2.02 0.00 0.00 63.50 61.20 1jh4 n PRO 6 Cb 0.63 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1jh4 n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jh4 s LEU 7 N 5.90 4.36 -0.05 2.45 2.01 -1.26 -4.99 118.68 127.09 1jh4 s LEU 7 Ca 1.04 0.78 -0.04 0.00 0.01 0.00 0.00 54.13 55.92 1jh4 s LEU 7 Cb -0.89 -2.53 -0.27 0.00 0.01 0.00 0.00 46.19 42.51 1jh4 s LEU 7 CO 0.54 0.18 0.63 0.71 1.01 0.00 0.00 176.35 179.42 1jh4 h THR 8 N 4.25 0.90 0.07 5.49 1.35 -1.98 -2.90 112.91 120.09 1jh4 h THR 8 Ca -0.46 -2.58 -0.00 0.00 -0.55 0.00 0.00 66.41 62.82 1jh4 h THR 8 Cb 1.19 2.63 -0.00 0.00 -1.73 0.00 0.00 68.15 70.25 1jh4 h THR 8 CO 0.69 0.81 -0.04 0.00 -0.25 0.00 0.00 175.52 176.72 1jh4 h ALA 9 N 0.35 -0.92 -0.13 6.62 0.00 -2.01 -2.13 119.26 121.05 1jh4 h ALA 9 Ca -0.33 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1jh4 h ALA 9 Cb 2.04 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1jh4 h ALA 9 CO 0.13 -0.91 0.14 0.66 0.00 0.00 0.00 179.25 179.27 1jh4 h SER 10 N -0.11 0.00 -0.51 0.00 4.64 -1.98 -1.63 113.55 113.97 1jh4 h SER 10 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1jh4 h SER 10 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1jh4 h SER 10 CO 0.01 0.00 0.19 -0.03 -0.87 0.00 0.00 176.83 176.13 1jh4 h MET 11 N 0.00 0.77 0.49 4.77 1.85 -1.27 -0.12 114.93 121.42 1jh4 h MET 11 Ca 0.06 -0.15 -0.01 0.00 -0.61 0.00 0.00 59.70 58.99 1jh4 h MET 11 Cb 0.34 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 1jh4 h MET 11 CO -0.00 0.69 -0.35 1.25 -0.40 0.00 0.00 176.91 178.09 1jh4 h LEU 12 N 0.69 -0.92 0.00 3.39 7.12 -0.62 -0.45 115.31 124.51 1jh4 h LEU 12 Ca 0.17 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.24 1jh4 h LEU 12 Cb 0.21 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 40.63 1jh4 h LEU 12 CO -0.01 -0.53 0.00 0.00 -0.13 0.00 0.00 178.44 177.77 1jh4 n ALA 13 N -2.60 2.09 0.13 1.25 0.00 -1.14 -2.35 120.51 117.89 1jh4 n ALA 13 Ca -0.11 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1jh4 n ALA 13 Cb 0.37 -1.07 0.27 0.00 0.00 0.00 0.00 19.45 19.03 1jh4 n ALA 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jh4 n SER 14 N -0.62 3.37 -4.06 0.00 2.88 -0.07 -4.93 113.62 110.19 1jh4 n SER 14 Ca 0.03 -1.98 -0.12 0.00 -1.33 0.00 0.00 58.87 55.47 1jh4 n SER 14 Cb 0.01 -0.35 -0.11 0.00 -0.75 0.00 0.00 64.21 63.01 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh4 s ALA 15 N -1.29 0.52 0.82 -1.46 0.00 -0.99 -5.04 121.76 114.33 1jh4 s ALA 15 Ca 0.41 -0.79 -0.13 0.00 0.00 0.00 0.00 51.96 51.45 1jh4 s ALA 15 Cb 0.22 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1jh4 s ALA 15 CO 0.30 -0.07 -0.43 -2.30 0.00 0.00 0.00 175.76 173.27 1jh4 n PRO 16 N 1.35 -0.64 0.00 0.00 -0.01 -1.26 -4.70 135.00 129.74 1jh4 n PRO 16 Ca -0.22 -0.19 0.00 0.00 -0.01 0.00 0.00 63.50 63.08 1jh4 n PRO 16 Cb 0.55 -1.16 0.00 0.00 -0.01 0.00 0.00 33.50 32.88 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 0.97 0.00 0.14 0.52 -0.02 -1.26 -1.96 135.00 133.39 1jh4 n PRO 17 Ca 0.01 0.51 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 1jh4 n PRO 17 Cb 0.37 -1.23 0.51 0.00 -0.02 0.00 0.00 33.50 33.13 1jh4 n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jh4 n GLN 18 N -1.61 0.14 -0.68 -0.52 10.64 -1.26 -2.34 117.38 121.75 1jh4 n GLN 18 Ca 0.00 0.57 -0.09 0.00 -1.83 0.00 0.00 57.00 55.65 1jh4 n GLN 18 Cb 0.00 -1.89 0.02 0.00 -0.86 0.00 0.00 30.24 27.52 1jh4 n GLN 18 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1jh4 n GLU 19 N -2.16 1.41 0.00 2.61 1.02 -0.83 -4.50 120.64 118.19 1jh4 n GLU 19 Ca -0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.32 1jh4 n GLU 19 Cb 0.08 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.84 0.00 0.00 3.49 10.64 -0.99 -3.99 117.38 127.37 1jh4 n GLN 20 Ca 0.16 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 1jh4 n GLN 20 Cb 0.56 -0.50 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 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 -0.25 0.97 0.20 2.61 4.76 -1.26 -4.24 118.16 120.95 1jh4 n LYS 21 Ca 0.00 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.36 1jh4 n LYS 21 Cb 0.00 -1.37 -0.04 0.00 -1.84 0.00 0.00 35.03 31.78 1jh4 n LYS 21 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1jh4 h GLN 22 N 0.02 -0.49 0.00 1.97 1.08 -1.75 -3.19 115.11 112.75 1jh4 h GLN 22 Ca 0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1jh4 h GLN 22 Cb 0.37 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1jh4 h GLN 22 CO 0.00 -0.33 0.00 -1.33 -0.95 0.00 0.00 178.83 176.22 1jh4 n MET 23 N -3.46 0.00 -0.20 1.46 2.81 -1.26 -3.76 117.12 112.71 1jh4 n MET 23 Ca -0.06 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.78 1jh4 n MET 23 Cb 0.20 -0.49 -0.01 0.00 -0.71 0.00 0.00 33.22 32.21 1jh4 n MET 23 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1jh4 n LEU 24 N -0.01 1.26 0.00 4.03 -0.00 -1.26 -4.89 117.00 116.13 1jh4 n LEU 24 Ca 0.00 -1.40 0.00 0.00 -0.00 0.00 0.00 56.01 54.61 1jh4 n LEU 24 Cb 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 42.85 1jh4 n LEU 24 CO 0.00 -0.59 0.00 0.61 -0.00 0.00 0.00 177.39 177.41 1jh4 n GLY 25 N 3.70 0.59 0.00 1.47 0.00 -1.21 -4.23 105.19 105.51 1jh4 n GLY 25 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.41 0.00 0.00 1.61 -0.00 -1.26 -4.29 120.64 117.12 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 -0.43 0.00 0.00 -0.00 0.00 0.00 31.44 31.01 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 -0.26 0.15 -0.04 3.44 3.00 -1.26 -4.85 116.66 116.84 1jh4 n ARG 27 Ca 0.00 -0.50 -0.14 0.00 -0.00 0.00 0.00 57.85 57.21 1jh4 n ARG 27 Cb 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 32.46 31.82 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 0.09 -0.80 6.15 3.38 -1.86 -3.23 115.31 119.05 1jh4 h LEU 28 Ca 0.00 -0.75 0.19 0.00 0.09 0.00 0.00 57.88 57.40 1jh4 h LEU 28 Cb 0.92 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.52 1jh4 h LEU 28 CO 0.00 0.83 0.19 0.15 0.09 0.00 0.00 178.44 179.70 1jh4 h PHE 29 N -0.64 0.29 -0.62 1.13 3.57 -1.83 0.41 116.94 119.25 1jh4 h PHE 29 Ca -0.01 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1jh4 h PHE 29 Cb 0.84 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.55 1jh4 h PHE 29 CO 0.18 -0.14 0.39 -1.35 -2.23 0.00 0.00 178.31 175.16 1jh4 h PRO 30 N 0.24 0.74 -0.24 6.41 0.11 -1.85 0.81 132.00 138.22 1jh4 h PRO 30 Ca 0.47 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.45 1jh4 h PRO 30 Cb 0.86 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1jh4 h PRO 30 CO -0.58 0.49 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.43 1jh4 h LEU 31 N 0.77 0.59 -0.72 2.35 3.38 -0.87 -2.95 115.31 117.86 1jh4 h LEU 31 Ca 0.25 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1jh4 h LEU 31 Cb 0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1jh4 h LEU 31 CO -0.09 0.92 -0.16 -0.29 0.09 0.00 0.00 178.44 178.91 1jh4 h ILE 32 N 0.27 1.27 -0.86 1.22 6.09 -0.08 -2.38 117.51 123.03 1jh4 h ILE 32 Ca 0.04 -1.26 0.20 0.00 -1.37 0.00 0.00 64.86 62.48 1jh4 h ILE 32 Cb 0.74 1.10 -0.12 0.00 0.47 0.00 0.00 36.82 39.01 1jh4 h ILE 32 CO 0.05 0.43 0.35 1.56 -3.07 0.00 0.00 178.15 177.47 1jh4 h GLN 33 N 0.73 0.37 -0.56 2.19 4.20 0.75 1.72 115.11 124.52 1jh4 h GLN 33 Ca 0.11 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.86 1jh4 h GLN 33 Cb 0.67 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1jh4 h GLN 33 CO 0.05 0.25 0.37 0.00 -0.67 0.00 0.00 178.83 178.83 1jh4 h ALA 34 N 1.68 1.87 0.00 3.87 0.00 -1.26 -3.29 119.26 122.14 1jh4 h ALA 34 Ca 0.53 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.11 1jh4 h ALA 34 Cb 0.97 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1jh4 h ALA 34 CO -0.52 0.03 -1.99 -1.33 0.00 0.00 0.00 179.25 175.44 1jh4 n MET 35 N -4.47 0.57 -3.54 0.00 2.81 0.15 -3.65 117.12 108.99 1jh4 n MET 35 Ca 0.08 0.26 -0.22 0.00 -1.81 0.00 0.00 57.70 56.01 1jh4 n MET 35 Cb 0.25 -1.48 0.08 0.00 -0.71 0.00 0.00 33.22 31.37 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 -4.33 -2.67 0.00 2.03 8.25 0.54 -4.76 115.22 114.28 1jh4 n HIS 36 Ca -0.41 0.99 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1jh4 n HIS 36 Cb 0.76 -5.05 0.00 0.00 1.12 0.00 0.00 29.99 26.82 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 -4.73 0.00 -0.04 -0.41 -0.04 -1.26 -4.68 135.00 123.84 1jh4 n PRO 37 Ca -0.08 0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.63 1jh4 n PRO 37 Cb 0.59 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.32 0.71 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.51 1jh4 n THR 38 Ca 0.00 0.35 0.05 0.00 -2.27 0.00 0.00 64.05 62.18 1jh4 n THR 38 Cb 0.00 -1.93 -0.01 0.00 -2.10 0.00 0.00 70.33 66.29 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 -6.36 -0.93 0.14 3.22 1.43 -1.26 -5.05 118.68 109.88 1jh4 s LEU 39 Ca -0.09 0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 1jh4 s LEU 39 Cb 0.01 1.75 0.02 0.00 0.03 0.00 0.00 46.19 48.00 1jh4 s LEU 39 CO 0.14 -0.17 1.71 0.00 0.23 0.00 0.00 176.35 178.26 1jh4 h ALA 40 N 7.95 0.24 -0.42 4.21 0.00 -1.90 1.56 119.26 130.89 1jh4 h ALA 40 Ca -0.16 0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1jh4 h ALA 40 Cb 1.17 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1jh4 h ALA 40 CO 0.07 -0.42 0.06 0.78 0.00 0.00 0.00 179.25 179.74 1jh4 h GLY 41 N 0.07 0.48 1.23 0.00 0.00 -1.97 -1.02 103.07 101.85 1jh4 h GLY 41 Ca 0.13 -0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.15 1jh4 h GLY 41 CO -0.23 -0.06 -1.29 0.50 0.00 0.00 0.00 176.54 175.46 1jh4 h LYS 42 N 0.19 0.62 -0.68 4.80 1.79 -1.88 -3.32 116.57 118.08 1jh4 h LYS 42 Ca 0.20 -0.86 0.05 0.00 -2.18 0.00 0.00 60.65 57.87 1jh4 h LYS 42 Cb 0.26 0.29 -0.05 0.00 -1.58 0.00 0.00 32.23 31.15 1jh4 h LYS 42 CO -0.29 1.40 0.39 0.97 -1.08 0.00 0.00 179.45 180.84 1jh4 h ILE 43 N 0.25 1.00 -0.56 1.86 2.10 0.24 -2.67 117.51 119.73 1jh4 h ILE 43 Ca -0.20 -0.25 0.11 0.00 1.08 0.00 0.00 64.86 65.59 1jh4 h ILE 43 Cb 1.97 0.20 -0.11 0.00 -1.09 0.00 0.00 36.82 37.79 1jh4 h ILE 43 CO 0.25 0.13 -0.23 0.74 -1.08 0.00 0.00 178.15 177.96 1jh4 h THR 44 N 0.74 0.30 -0.91 2.19 2.02 -1.28 0.52 112.91 116.49 1jh4 h THR 44 Ca 0.30 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.52 1jh4 h THR 44 Cb 0.14 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 66.80 1jh4 h THR 44 CO -0.16 0.00 0.60 1.23 0.37 0.00 0.00 175.52 177.56 1jh4 h GLY 45 N -0.09 1.32 0.72 2.16 0.00 -1.60 -1.33 103.07 104.24 1jh4 h GLY 45 Ca 0.26 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1jh4 h GLY 45 CO -0.62 0.37 -0.26 -0.33 0.00 0.00 0.00 176.54 175.70 1jh4 h MET 46 N 1.13 -0.71 0.00 4.80 2.07 -0.89 -2.66 114.93 118.67 1jh4 h MET 46 Ca 0.37 0.05 0.00 0.00 -2.07 0.00 0.00 59.70 58.05 1jh4 h MET 46 Cb 0.05 0.16 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 1jh4 h MET 46 CO -0.12 -0.40 0.09 -0.07 1.07 0.00 0.00 176.91 177.48 1jh4 h LEU 47 N -1.03 0.00 -1.44 1.22 -0.00 -1.02 -3.00 115.31 110.03 1jh4 h LEU 47 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 1jh4 h LEU 47 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1jh4 h LEU 47 CO 0.12 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.74 1jh4 n LEU 48 N -2.81 0.19 0.01 1.67 4.32 -0.51 -3.43 117.00 116.44 1jh4 n LEU 48 Ca -0.02 -0.10 0.11 0.00 -0.02 0.00 0.00 56.01 55.98 1jh4 n LEU 48 Cb 0.14 -0.05 0.49 0.00 -1.62 0.00 0.00 43.42 42.38 1jh4 n LEU 48 CO 0.16 0.04 0.86 -1.84 -1.22 0.00 0.00 177.39 175.39 1jh4 n GLU 49 N 0.67 0.01 -3.76 3.23 0.28 -1.14 -4.81 120.64 115.12 1jh4 n GLU 49 Ca 0.00 0.12 -0.23 0.00 -0.16 0.00 0.00 57.16 56.89 1jh4 n GLU 49 Cb 0.04 -1.52 -0.03 0.00 1.43 0.00 0.00 31.44 31.35 1jh4 n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1jh4 s ILE 50 N -3.01 2.34 0.44 3.84 1.10 -1.22 -5.11 121.20 119.57 1jh4 s ILE 50 Ca 0.11 -1.46 -0.23 0.00 -0.51 0.00 0.00 60.65 58.57 1jh4 s ILE 50 Cb 0.15 -2.79 -0.08 0.00 0.15 0.00 0.00 42.46 39.88 1jh4 s ILE 50 CO 0.42 0.00 1.08 -1.81 -2.11 0.00 0.00 174.94 172.52 1jh4 s ASP 51 N -4.12 6.46 0.62 4.50 1.01 -1.26 -4.88 116.67 119.00 1jh4 s ASP 51 Ca 0.44 2.09 0.26 0.00 0.71 0.00 0.00 52.55 56.04 1jh4 s ASP 51 Cb -0.01 -2.58 1.29 0.00 1.01 0.00 0.00 42.92 42.63 1jh4 s ASP 51 CO 0.25 -0.70 1.72 -1.13 0.21 0.00 0.00 175.17 175.53 1jh4 h ASN 52 N 2.11 0.00 0.18 0.27 -0.73 -1.99 0.25 115.58 115.66 1jh4 h ASN 52 Ca -0.49 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 57.50 1jh4 h ASN 52 Cb 1.23 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.81 1jh4 h ASN 52 CO 0.61 0.00 -0.71 0.77 -0.37 0.00 0.00 177.43 177.73 1jh4 h SER 53 N 0.00 0.55 0.01 1.15 4.64 -2.00 -2.68 113.55 115.23 1jh4 h SER 53 Ca 0.17 -0.35 -0.19 0.00 -0.47 0.00 0.00 61.79 60.95 1jh4 h SER 53 Cb 1.38 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1jh4 h SER 53 CO -0.00 1.09 -0.76 -0.33 -0.87 0.00 0.00 176.83 175.96 1jh4 h GLU 54 N 0.33 0.49 0.00 4.77 4.39 -0.88 -3.10 114.58 120.58 1jh4 h GLU 54 Ca -0.03 -0.54 -0.03 0.00 0.34 0.00 0.00 59.36 59.10 1jh4 h GLU 54 Cb 1.28 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1jh4 h GLU 54 CO 0.13 1.18 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.96 1jh4 h LEU 55 N 0.02 0.00 -0.37 1.33 3.38 -1.55 -1.86 115.31 116.27 1jh4 h LEU 55 Ca -0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1jh4 h LEU 55 Cb 1.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 1jh4 h LEU 55 CO 0.15 0.12 -0.15 -0.07 0.09 0.00 0.00 178.44 178.58 1jh4 h LEU 56 N 0.00 0.77 -1.36 1.67 3.38 -1.47 -2.88 115.31 115.41 1jh4 h LEU 56 Ca -0.00 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.65 1jh4 h LEU 56 Cb 0.26 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1jh4 h LEU 56 CO 0.02 0.99 0.50 0.45 0.09 0.00 0.00 178.44 180.48 1jh4 h HIS 57 N 0.55 0.77 -0.63 1.13 3.86 -1.26 -1.10 115.15 118.46 1jh4 h HIS 57 Ca 0.09 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 1jh4 h HIS 57 Cb 0.69 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1jh4 h HIS 57 CO 0.06 0.39 0.21 0.52 0.86 0.00 0.00 177.93 179.97 1jh4 h MET 58 N 0.75 0.97 0.00 2.45 2.86 -1.30 0.76 114.93 121.41 1jh4 h MET 58 Ca 0.34 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1jh4 h MET 58 Cb 0.34 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1jh4 h MET 58 CO -0.12 0.85 -0.05 1.25 1.06 0.00 0.00 176.91 179.90 1jh4 h LEU 59 N 0.90 0.00 -0.37 1.22 6.46 -1.07 -0.46 115.31 122.00 1jh4 h LEU 59 Ca 0.21 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 1jh4 h LEU 59 Cb 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1jh4 h LEU 59 CO -0.01 0.05 -0.54 -0.62 -0.62 0.00 0.00 178.44 176.70 1jh4 n GLU 60 N -4.46 0.51 -3.41 1.25 1.02 -0.87 -4.68 120.64 110.01 1jh4 n GLU 60 Ca -0.03 -0.37 -0.24 0.00 -0.02 0.00 0.00 57.16 56.50 1jh4 n GLU 60 Cb 0.13 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jh4 s SER 61 N -2.74 2.16 0.55 1.62 0.01 0.21 -4.99 113.70 110.51 1jh4 s SER 61 Ca 0.16 -2.07 0.32 0.00 1.31 0.00 0.00 55.95 55.67 1jh4 s SER 61 Cb 0.18 -0.05 1.48 0.00 0.21 0.00 0.00 66.02 67.84 1jh4 s SER 61 CO 0.66 -0.28 1.87 -0.65 0.41 0.00 0.00 173.24 175.25 1jh4 h PRO 62 N 6.87 0.00 0.29 12.44 0.11 -1.81 -1.21 132.00 148.68 1jh4 h PRO 62 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1jh4 h PRO 62 Cb 0.99 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1jh4 h PRO 62 CO 0.24 0.00 -0.32 1.05 -0.21 0.00 0.00 178.00 178.76 1jh4 h GLU 63 N 0.00 -0.63 -0.07 1.05 4.11 -1.94 0.27 114.58 117.37 1jh4 h GLU 63 Ca 0.41 0.04 -0.17 0.00 0.07 0.00 0.00 59.36 59.72 1jh4 h GLU 63 Cb 1.72 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 1jh4 h GLU 63 CO -0.00 -0.42 -0.68 1.03 0.07 0.00 0.00 179.01 179.01 1jh4 h SER 64 N -0.65 0.36 0.58 3.06 0.87 -1.71 -3.07 113.55 113.00 1jh4 h SER 64 Ca -0.01 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.30 1jh4 h SER 64 Cb 0.60 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1jh4 h SER 64 CO -0.08 0.93 -0.39 0.25 -0.53 0.00 0.00 176.83 177.01 1jh4 h LEU 65 N 0.22 -1.00 -2.00 2.23 7.12 -0.85 -1.95 115.31 119.08 1jh4 h LEU 65 Ca -0.02 0.06 0.19 0.00 0.13 0.00 0.00 57.88 58.24 1jh4 h LEU 65 Cb 1.22 0.30 -0.03 0.00 -0.53 0.00 0.00 40.66 41.63 1jh4 h LEU 65 CO 0.11 -0.58 0.48 0.03 -0.13 0.00 0.00 178.44 178.35 1jh4 h ARG 66 N -0.91 0.00 -0.62 1.25 3.08 -0.55 -0.30 114.38 116.33 1jh4 h ARG 66 Ca -0.08 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1jh4 h ARG 66 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 1jh4 h ARG 66 CO 0.06 0.00 0.38 0.77 -1.07 0.00 0.00 179.97 180.11 1jh4 h SER 67 N 0.00 0.62 0.03 7.04 0.02 -1.26 0.27 113.55 120.28 1jh4 h SER 67 Ca 0.31 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.22 1jh4 h SER 67 Cb 1.26 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.68 1jh4 h SER 67 CO -0.00 0.43 -0.21 0.11 -1.14 0.00 0.00 176.83 176.02 1jh4 h LYS 68 N 0.75 0.08 0.14 3.45 1.57 -0.73 -3.16 116.57 118.66 1jh4 h LYS 68 Ca 0.25 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1jh4 h LYS 68 Cb 0.03 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1jh4 h LYS 68 CO -0.11 1.05 -0.22 0.28 -0.57 0.00 0.00 179.45 179.88 1jh4 h VAL 69 N -0.83 0.51 -0.28 0.50 2.07 -1.38 -1.31 116.25 115.53 1jh4 h VAL 69 Ca -0.04 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.55 1jh4 h VAL 69 Cb 1.15 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.35 1jh4 h VAL 69 CO 0.04 0.00 -0.28 -0.78 0.02 0.00 0.00 177.57 176.57 1jh4 h ASP 70 N -0.43 -0.92 -0.18 0.57 1.82 -1.10 -1.30 116.42 114.89 1jh4 h ASP 70 Ca 0.02 0.16 0.05 0.00 -0.39 0.00 0.00 57.03 56.87 1jh4 h ASP 70 Cb 0.44 0.43 -0.06 0.00 0.68 0.00 0.00 39.33 40.81 1jh4 h ASP 70 CO -0.11 -0.31 -0.25 -0.33 -1.61 0.00 0.00 179.24 176.64 1jh4 h GLU 71 N -0.27 -0.28 -0.87 0.28 4.39 -1.46 -1.64 114.58 114.73 1jh4 h GLU 71 Ca 0.15 0.02 0.15 0.00 0.34 0.00 0.00 59.36 60.02 1jh4 h GLU 71 Cb 0.50 0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.12 1jh4 h GLU 71 CO -0.44 -0.19 0.46 0.00 -1.16 0.00 0.00 179.01 177.69 1jh4 h ALA 72 N 0.69 1.33 -0.93 3.43 0.00 -0.57 0.30 119.26 123.50 1jh4 h ALA 72 Ca 0.12 0.08 0.21 0.00 0.00 0.00 0.00 54.91 55.33 1jh4 h ALA 72 Cb 0.47 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1jh4 h ALA 72 CO -0.35 -0.08 0.61 0.28 0.00 0.00 0.00 179.25 179.71 1jh4 h VAL 73 N 0.64 0.65 0.26 0.00 2.07 -0.26 1.38 116.25 120.99 1jh4 h VAL 73 Ca 0.48 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 1jh4 h VAL 73 Cb 0.68 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1jh4 h VAL 73 CO -0.36 0.08 -0.12 0.00 0.02 0.00 0.00 177.57 177.18 1jh4 h ALA 74 N 1.61 -0.40 0.73 1.67 0.00 -0.29 -2.86 119.26 119.72 1jh4 h ALA 74 Ca 0.50 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1jh4 h ALA 74 Cb 1.22 0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1jh4 h ALA 74 CO -0.20 -0.37 -0.35 0.28 0.00 0.00 0.00 179.25 178.61 1jh4 h VAL 75 N -0.92 0.00 0.06 0.00 2.07 -0.68 -2.62 116.25 114.16 1jh4 h VAL 75 Ca -0.04 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1jh4 h VAL 75 Cb 0.26 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 1jh4 h VAL 75 CO 0.06 0.00 -0.43 0.25 0.02 0.00 0.00 177.57 177.47 1jh4 h LEU 76 N -1.01 -1.31 -1.88 2.57 6.46 0.16 1.00 115.31 121.30 1jh4 h LEU 76 Ca -0.10 0.14 0.23 0.00 -0.12 0.00 0.00 57.88 58.03 1jh4 h LEU 76 Cb 0.75 0.49 -0.03 0.00 -0.73 0.00 0.00 40.66 41.14 1jh4 h LEU 76 CO 0.16 -0.44 0.69 -0.61 -0.62 0.00 0.00 178.44 177.62 1jh4 h GLN 77 N -0.59 0.00 0.12 1.25 4.15 -1.50 1.16 115.11 119.70 1jh4 h GLN 77 Ca -0.00 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.23 1jh4 h GLN 77 Cb 0.61 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.31 1jh4 h GLN 77 CO -0.25 0.00 -0.91 0.00 -1.93 0.00 0.00 178.83 175.73 1jh4 h ALA 78 N 1.38 0.00 -0.04 3.38 0.00 -0.60 -3.35 119.26 120.03 1jh4 h ALA 78 Ca 0.38 -0.80 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1jh4 h ALA 78 Cb 1.75 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1jh4 h ALA 78 CO -0.00 0.47 -0.55 0.45 0.00 0.00 0.00 179.25 179.62 1jh4 h HIS 79 N -0.44 0.14 -0.19 0.00 3.86 0.46 -3.14 115.15 115.84 1jh4 h HIS 79 Ca -0.18 -0.05 -0.13 0.00 -1.16 0.00 0.00 60.37 58.85 1jh4 h HIS 79 Cb 1.60 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 29.99 1jh4 h HIS 79 CO 0.18 0.63 0.17 0.94 0.86 0.00 0.00 177.93 180.71 1jh4 n GLN 80 N -3.90 1.33 -0.32 2.45 -0.06 0.36 -4.82 117.38 112.42 1jh4 n GLN 80 Ca -0.02 -0.64 0.00 0.00 -2.00 0.00 0.00 57.00 54.35 1jh4 n GLN 80 Cb 0.57 -1.25 0.00 0.00 -4.06 0.00 0.00 30.24 25.49 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jh4 n ALA 81 N 1.04 0.00 -2.67 1.69 0.00 -1.19 -4.96 120.51 114.42 1jh4 n ALA 81 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1jh4 n ALA 81 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jh4 s LYS 82 N 0.97 4.51 -1.09 0.00 1.02 -1.26 -4.97 119.74 118.91 1jh4 s LYS 82 Ca 0.00 1.46 -0.22 0.00 0.02 0.00 0.00 55.97 57.23 1jh4 s LYS 82 Cb 0.00 -3.47 0.06 0.00 -0.52 0.00 0.00 37.83 33.89 1jh4 s LYS 82 CO 0.00 -0.15 1.52 -2.00 -0.92 0.00 0.00 175.35 173.81 1jh4 s GLU 83 N 1.29 3.69 0.16 1.68 2.12 -1.26 -4.98 118.70 121.40 1jh4 s GLU 83 Ca 0.52 -1.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.20 1jh4 s GLU 83 Cb -0.21 -5.40 -0.07 0.00 0.26 0.00 0.00 34.13 28.70 1jh4 s GLU 83 CO 0.26 -2.22 0.98 0.00 -0.54 0.00 0.00 175.26 173.74 1jh4 s ALA 84 N 4.77 3.30 -1.44 6.30 0.00 -1.26 -4.95 121.76 128.47 1jh4 s ALA 84 Ca 0.48 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 1jh4 s ALA 84 Cb 0.01 -3.27 0.05 0.00 0.00 0.00 0.00 23.12 19.91 1jh4 s ALA 84 CO -0.05 0.00 2.26 0.00 0.00 0.00 0.00 175.76 177.97 1jh4 n ALA 85 N 2.32 5.81 -2.77 0.00 0.00 -1.26 -4.86 120.51 119.75 1jh4 n ALA 85 Ca 0.01 -3.93 -0.44 0.00 0.00 0.00 0.00 53.44 49.09 1jh4 n ALA 85 Cb 0.48 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.55 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 5.20 3.42 -2.06 0.00 1.13 -1.26 -4.99 117.38 118.82 1jh4 n GLN 86 Ca 0.53 -3.74 -0.29 0.00 -1.94 0.00 0.00 57.00 51.57 1jh4 n GLN 86 Cb 0.36 -3.03 0.19 0.00 0.11 0.00 0.00 30.24 27.87 1jh4 n GLN 86 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1jh4 s LYS 87 N 1.38 0.55 0.77 -1.09 1.02 -1.26 -5.07 119.74 116.03 1jh4 s LYS 87 Ca 0.42 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.64 1jh4 s LYS 87 Cb 0.01 -1.91 0.05 0.00 -0.52 0.00 0.00 37.83 35.46 1jh4 s LYS 87 CO 0.01 -2.42 1.10 0.00 -0.92 0.00 0.00 175.35 173.11 1jh4 s ALA 88 N -3.83 2.47 -1.18 5.17 0.00 -1.26 -4.93 121.76 118.20 1jh4 s ALA 88 Ca 0.75 -0.24 -0.21 0.00 0.00 0.00 0.00 51.96 52.26 1jh4 s ALA 88 Cb -0.02 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1jh4 s ALA 88 CO 0.52 -1.53 1.74 0.08 0.00 0.00 0.00 175.76 176.58 1jh4 s VAL 89 N -3.22 3.90 0.00 0.00 1.01 -1.26 -4.73 120.40 116.10 1jh4 s VAL 89 Ca 0.60 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1jh4 s VAL 89 Cb -0.13 -4.93 0.00 0.00 0.00 0.00 0.00 36.38 31.31 1jh4 s VAL 89 CO 0.53 -1.69 0.00 0.59 0.00 0.00 0.00 175.10 174.53 1jh4 n ASN 90 N 10.27 0.00 -2.75 3.32 4.13 -1.26 -5.05 115.26 123.92 1jh4 n ASN 90 Ca 0.44 0.03 -0.08 0.00 1.68 0.00 0.00 54.58 56.65 1jh4 n ASN 90 Cb 0.47 -0.12 0.04 0.00 -1.54 0.00 0.00 39.78 38.64 1jh4 n ASN 90 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1jh4 n SER 91 N -1.53 0.34 -4.51 6.41 7.64 -1.26 -5.02 113.62 115.69 1jh4 n SER 91 Ca 0.00 -1.31 -0.43 0.00 1.01 0.00 0.00 58.87 58.14 1jh4 n SER 91 Cb 0.00 -0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 s ALA 92 N -3.10 3.18 -0.16 -0.43 0.00 -1.26 -5.03 121.76 114.97 1jh4 s ALA 92 Ca 0.21 -1.30 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 1jh4 s ALA 92 Cb -0.01 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1jh4 s ALA 92 CO 0.14 -2.35 0.09 0.99 0.00 0.00 0.00 175.76 174.63 1jh4 s THR 93 N 3.81 5.08 0.09 0.00 2.01 -1.26 -5.09 115.64 120.27 1jh4 s THR 93 Ca 0.29 0.06 -0.19 0.00 0.31 0.00 0.00 61.69 62.16 1jh4 s THR 93 Cb -0.13 -3.26 -0.07 0.00 0.01 0.00 0.00 72.50 69.05 1jh4 s THR 93 CO 0.18 0.51 0.57 -0.83 -0.69 0.00 0.00 174.62 174.36 1jh4 s GLY 94 N -0.11 2.65 -0.33 4.40 0.00 -1.26 -5.06 107.32 107.61 1jh4 s GLY 94 Ca 0.08 0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.67 1jh4 s GLY 94 CO 0.01 0.43 0.37 -1.34 0.00 0.00 0.00 173.10 172.56 1jh4 s VAL 95 N -1.16 5.16 0.49 1.40 -7.23 -1.26 -5.07 120.40 112.73 1jh4 s VAL 95 Ca 0.30 0.17 -0.22 0.00 -1.81 0.00 0.00 61.98 60.42 1jh4 s VAL 95 Cb -0.19 -3.80 -0.07 0.00 0.56 0.00 0.00 36.38 32.89 1jh4 s VAL 95 CO 0.19 -0.04 1.20 -2.16 -0.31 0.00 0.00 175.10 173.98 1jh4 s PRO 96 N 2.05 3.59 -0.31 4.82 0.04 -1.26 -4.92 135.00 139.01 1jh4 s PRO 96 Ca 0.13 1.86 -0.00 0.00 0.04 0.00 0.00 61.00 63.02 1jh4 s PRO 96 Cb -0.16 -2.34 0.24 0.00 0.04 0.00 0.00 34.50 32.28 1jh4 s PRO 96 CO 0.11 -0.71 1.91 -2.37 0.04 0.00 0.00 177.00 175.98 1jh4 n THR 97 N -0.67 2.67 -0.76 1.26 5.66 -1.26 -5.35 114.28 115.82 1jh4 n THR 97 Ca 0.08 -1.55 0.00 0.00 -3.05 0.00 0.00 64.05 59.53 1jh4 n THR 97 Cb 0.48 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 1jh4 n THR 97 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35