#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 4.24 0.43 1.61 0.04 -1.26 -5.02 135.00 135.04 1jh4 s PRO 2 Ca 0.00 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.09 1jh4 s PRO 2 Cb 0.00 -3.72 0.01 0.00 0.04 0.00 0.00 34.50 30.83 1jh4 s PRO 2 CO 0.00 -0.68 0.60 -1.17 0.04 0.00 0.00 177.00 175.80 1jh4 s LEU 3 N 3.03 3.64 0.63 -3.56 0.20 -1.26 -5.12 118.68 116.24 1jh4 s LEU 3 Ca 0.65 -0.19 -0.03 0.00 0.69 0.00 0.00 54.13 55.26 1jh4 s LEU 3 Cb -0.31 -2.79 0.05 0.00 -0.43 0.00 0.00 46.19 42.71 1jh4 s LEU 3 CO 0.26 -0.76 0.90 -0.83 -0.29 0.00 0.00 176.35 175.62 1jh4 s GLY 4 N -4.31 1.75 -0.22 7.98 0.00 -1.26 -5.06 107.32 106.20 1jh4 s GLY 4 Ca 0.52 -1.11 -0.16 0.00 0.00 0.00 0.00 44.72 43.98 1jh4 s GLY 4 CO 0.34 -0.76 -0.23 -1.26 0.00 0.00 0.00 173.10 171.20 1jh4 n SER 5 N -2.63 1.91 -4.70 1.64 2.88 -1.26 -4.95 113.62 106.51 1jh4 n SER 5 Ca 0.08 0.40 -0.44 0.00 -1.33 0.00 0.00 58.87 57.58 1jh4 n SER 5 Cb 0.60 -0.83 -0.03 0.00 -0.75 0.00 0.00 64.21 63.20 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 -4.40 2.46 -4.02 -1.46 -0.02 -1.26 -4.98 135.00 121.32 1jh4 n PRO 6 Ca -0.32 0.88 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 1jh4 n PRO 6 Cb 0.65 -2.67 -0.11 0.00 -0.02 0.00 0.00 33.50 31.36 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 0.67 3.67 -0.06 2.45 2.01 -1.26 -5.00 118.68 121.16 1jh4 s LEU 7 Ca 0.74 -0.00 -0.08 0.00 0.01 0.00 0.00 54.13 54.79 1jh4 s LEU 7 Cb -0.58 -1.93 -0.29 0.00 0.01 0.00 0.00 46.19 43.40 1jh4 s LEU 7 CO 0.39 0.13 0.60 0.71 1.01 0.00 0.00 176.35 179.19 1jh4 h THR 8 N 5.04 0.86 0.07 5.49 1.35 -1.98 -2.94 112.91 120.79 1jh4 h THR 8 Ca -0.36 -2.50 -0.00 0.00 -0.55 0.00 0.00 66.41 63.00 1jh4 h THR 8 Cb 1.17 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1jh4 h THR 8 CO 0.67 0.86 -0.04 0.00 -0.25 0.00 0.00 175.52 176.76 1jh4 h ALA 9 N 0.17 -0.98 -0.12 6.62 0.00 -2.01 -2.60 119.26 120.34 1jh4 h ALA 9 Ca -0.36 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1jh4 h ALA 9 Cb 2.07 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 1jh4 h ALA 9 CO 0.15 -0.97 0.16 0.77 0.00 0.00 0.00 179.25 179.36 1jh4 h SER 10 N -0.09 0.00 -0.77 0.00 0.02 -1.98 -1.24 113.55 109.48 1jh4 h SER 10 Ca -0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1jh4 h SER 10 Cb 0.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1jh4 h SER 10 CO 0.01 0.00 0.31 0.00 -1.14 0.00 0.00 176.83 176.01 1jh4 h MET 11 N 0.00 1.15 0.47 3.45 -0.00 -1.31 -0.70 114.93 117.98 1jh4 h MET 11 Ca 0.06 -0.21 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 1jh4 h MET 11 Cb 0.38 -0.19 0.00 0.00 -0.00 0.00 0.00 31.60 31.79 1jh4 h MET 11 CO -0.00 0.93 -0.22 1.25 -0.00 0.00 0.00 176.91 178.87 1jh4 h LEU 12 N 1.11 -0.53 0.00 -0.10 7.12 -0.84 -1.13 115.31 120.94 1jh4 h LEU 12 Ca 0.26 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1jh4 h LEU 12 Cb 0.21 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1jh4 h LEU 12 CO -0.02 -0.36 0.00 0.00 -0.13 0.00 0.00 178.44 177.93 1jh4 n ALA 13 N -2.38 2.10 -0.28 1.25 0.00 -1.12 -2.13 120.51 117.95 1jh4 n ALA 13 Ca -0.12 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1jh4 n ALA 13 Cb 0.27 -1.13 0.29 0.00 0.00 0.00 0.00 19.45 18.89 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 -0.72 3.79 -4.07 0.00 2.88 -0.28 -4.94 113.62 110.27 1jh4 n SER 14 Ca 0.06 -2.00 -0.17 0.00 -1.33 0.00 0.00 58.87 55.44 1jh4 n SER 14 Cb 0.03 -0.44 -0.13 0.00 -0.75 0.00 0.00 64.21 62.92 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 -1.04 0.78 0.79 -1.46 0.00 -0.91 -5.03 121.76 114.88 1jh4 s ALA 15 Ca 0.45 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.65 1jh4 s ALA 15 Cb 0.24 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.28 1jh4 s ALA 15 CO 0.31 0.11 -0.26 -2.30 0.00 0.00 0.00 175.76 173.62 1jh4 n PRO 16 N 2.01 -0.73 0.00 0.00 -0.01 -1.26 -4.62 135.00 130.40 1jh4 n PRO 16 Ca -0.18 -0.21 0.00 0.00 -0.01 0.00 0.00 63.50 63.09 1jh4 n PRO 16 Cb 0.56 -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 0.83 0.00 0.24 0.52 -0.02 -1.26 -1.97 135.00 133.34 1jh4 n PRO 17 Ca 0.01 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.90 1jh4 n PRO 17 Cb 0.30 -0.97 0.76 0.00 -0.02 0.00 0.00 33.50 33.56 1jh4 n PRO 17 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1jh4 h GLN 18 N 0.00 0.00 -1.48 -0.52 4.20 -2.03 -1.82 115.11 113.46 1jh4 h GLN 18 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1jh4 h GLN 18 Cb 0.00 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 1jh4 h GLN 18 CO 0.00 0.00 0.17 0.39 -0.67 0.00 0.00 178.83 178.72 1jh4 n GLU 19 N -2.55 1.33 0.00 1.46 1.02 -0.83 -4.48 120.64 116.60 1jh4 n GLU 19 Ca -0.02 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 1jh4 n GLU 19 Cb 0.16 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 0.66 0.00 0.00 3.49 10.64 -0.68 -4.13 117.38 127.35 1jh4 n GLN 20 Ca 0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 1jh4 n GLN 20 Cb 0.62 -0.38 0.00 0.00 -0.86 0.00 0.00 30.24 29.62 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 0.96 0.35 2.61 4.76 -1.26 -4.16 118.16 121.27 1jh4 n LYS 21 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 1jh4 n LYS 21 Cb 0.00 -1.32 -0.07 0.00 -1.84 0.00 0.00 35.03 31.80 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1jh4 h GLN 22 N 0.03 -0.90 0.00 1.97 4.15 -1.76 -3.19 115.11 115.41 1jh4 h GLN 22 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1jh4 h GLN 22 Cb 0.32 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1jh4 h GLN 22 CO 0.00 -0.58 0.00 -1.33 -1.93 0.00 0.00 178.83 174.99 1jh4 n MET 23 N -5.40 0.00 -0.23 1.69 2.81 -1.26 -3.70 117.12 111.03 1jh4 n MET 23 Ca -0.12 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.71 1jh4 n MET 23 Cb 0.38 -0.28 -0.01 0.00 -0.71 0.00 0.00 33.22 32.59 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 0.00 1.48 0.00 4.03 -0.00 -1.26 -4.90 117.00 116.35 1jh4 n LEU 24 Ca 0.00 -1.44 0.00 0.00 -0.00 0.00 0.00 56.01 54.57 1jh4 n LEU 24 Cb 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.86 1jh4 n LEU 24 CO 0.00 -0.43 0.00 0.61 -0.00 0.00 0.00 177.39 177.57 1jh4 n GLY 25 N 3.58 0.67 0.00 1.47 0.00 -1.21 -4.21 105.19 105.49 1jh4 n GLY 25 Ca 0.13 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.86 0.00 -0.13 1.61 0.00 -1.26 -4.35 120.64 118.37 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 -0.50 0.00 0.00 0.00 0.00 0.00 31.44 30.94 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 -0.33 0.16 -0.03 3.44 3.00 -1.26 -4.90 116.66 116.73 1jh4 n ARG 27 Ca 0.00 -0.71 -0.14 0.00 -0.00 0.00 0.00 57.85 57.00 1jh4 n ARG 27 Cb 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 32.46 31.81 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 0.07 -0.74 6.15 3.38 -1.89 -3.22 115.31 119.07 1jh4 h LEU 28 Ca 0.00 -0.68 0.16 0.00 0.09 0.00 0.00 57.88 57.45 1jh4 h LEU 28 Cb 1.08 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.67 1jh4 h LEU 28 CO 0.00 0.74 -0.09 0.15 0.09 0.00 0.00 178.44 179.33 1jh4 h PHE 29 N -0.59 -0.22 -0.72 1.13 3.57 -1.80 0.64 116.94 118.96 1jh4 h PHE 29 Ca -0.00 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1jh4 h PHE 29 Cb 0.74 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1jh4 h PHE 29 CO 0.16 -0.28 0.46 -1.35 -2.23 0.00 0.00 178.31 175.07 1jh4 h PRO 30 N 0.05 0.88 0.02 6.41 0.11 -1.87 1.59 132.00 139.18 1jh4 h PRO 30 Ca 0.38 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.44 1jh4 h PRO 30 Cb 0.64 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1jh4 h PRO 30 CO -0.71 0.58 -0.01 -0.07 -0.21 0.00 0.00 178.00 177.58 1jh4 h LEU 31 N 0.90 -0.02 -0.49 2.35 3.38 -0.91 -3.04 115.31 117.49 1jh4 h LEU 31 Ca 0.28 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 1jh4 h LEU 31 Cb -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jh4 h LEU 31 CO -0.10 0.56 -0.09 -0.29 0.09 0.00 0.00 178.44 178.61 1jh4 h ILE 32 N -0.61 1.27 -0.96 1.22 -0.00 0.26 -2.36 117.51 116.33 1jh4 h ILE 32 Ca -0.00 -1.22 0.29 0.00 -0.00 0.00 0.00 64.86 63.93 1jh4 h ILE 32 Cb 0.58 1.06 -0.15 0.00 -0.00 0.00 0.00 36.82 38.31 1jh4 h ILE 32 CO 0.00 0.42 0.44 -0.61 -0.00 0.00 0.00 178.15 178.41 1jh4 h GLN 33 N 0.78 0.27 -0.60 2.19 4.15 0.23 2.14 115.11 124.27 1jh4 h GLN 33 Ca 0.13 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.60 1jh4 h GLN 33 Cb 0.64 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 1jh4 h GLN 33 CO 0.04 0.18 0.40 0.00 -1.93 0.00 0.00 178.83 177.52 1jh4 h ALA 34 N 1.83 1.85 0.00 3.38 0.00 -1.30 -3.25 119.26 121.77 1jh4 h ALA 34 Ca 0.67 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 55.24 1jh4 h ALA 34 Cb 1.47 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1jh4 h ALA 34 CO -0.63 0.04 -2.00 -1.33 0.00 0.00 0.00 179.25 175.33 1jh4 n MET 35 N -4.48 0.57 -3.43 0.00 2.81 0.47 -5.04 117.12 108.03 1jh4 n MET 35 Ca 0.09 0.28 -0.20 0.00 -1.81 0.00 0.00 57.70 56.06 1jh4 n MET 35 Cb 0.26 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.34 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 -2.40 0.00 2.03 8.25 0.61 -4.97 115.22 114.41 1jh4 n HIS 36 Ca -0.42 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1jh4 n HIS 36 Cb 0.76 -4.73 0.00 0.00 1.12 0.00 0.00 29.99 27.14 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 -4.33 0.00 -0.01 -0.41 -0.04 -1.26 -4.67 135.00 124.28 1jh4 n PRO 37 Ca -0.09 0.25 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1jh4 n PRO 37 Cb 0.59 -1.21 -0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.19 0.24 -3.15 0.52 -2.24 -1.26 -5.02 114.28 102.18 1jh4 n THR 38 Ca 0.00 0.45 0.04 0.00 -2.27 0.00 0.00 64.05 62.28 1jh4 n THR 38 Cb 0.00 -1.65 -0.01 0.00 -2.10 0.00 0.00 70.33 66.57 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jh4 s LEU 39 N -5.17 -1.12 0.22 3.22 2.96 -1.26 -5.05 118.68 112.48 1jh4 s LEU 39 Ca -0.03 0.69 -0.13 0.00 -0.22 0.00 0.00 54.13 54.44 1jh4 s LEU 39 Cb 0.00 1.94 0.26 0.00 0.50 0.00 0.00 46.19 48.89 1jh4 s LEU 39 CO 0.04 -0.21 1.62 0.00 -1.32 0.00 0.00 176.35 176.48 1jh4 h ALA 40 N 7.99 0.44 0.38 5.97 0.00 -1.90 0.70 119.26 132.84 1jh4 h ALA 40 Ca -0.20 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jh4 h ALA 40 Cb 1.16 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1jh4 h ALA 40 CO 0.15 -0.42 -0.24 0.78 0.00 0.00 0.00 179.25 179.52 1jh4 h GLY 41 N -0.00 -0.82 1.12 0.00 0.00 -1.97 -2.52 103.07 98.89 1jh4 h GLY 41 Ca 0.32 0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.93 1jh4 h GLY 41 CO -0.69 -0.28 0.22 1.70 0.00 0.00 0.00 176.54 177.49 1jh4 h LYS 42 N -0.59 1.10 -0.98 4.80 3.11 -1.95 -2.91 116.57 119.16 1jh4 h LYS 42 Ca -0.05 -0.23 0.13 0.00 -2.81 0.00 0.00 60.65 57.68 1jh4 h LYS 42 Cb 0.47 -0.16 -0.09 0.00 -1.00 0.00 0.00 32.23 31.46 1jh4 h LYS 42 CO 0.05 0.94 0.60 0.97 -2.81 0.00 0.00 179.45 179.20 1jh4 h ILE 43 N 1.06 0.89 -0.59 2.00 2.10 0.38 -1.76 117.51 121.59 1jh4 h ILE 43 Ca 0.23 -0.32 0.11 0.00 1.08 0.00 0.00 64.86 65.96 1jh4 h ILE 43 Cb 0.30 -0.13 -0.08 0.00 -1.09 0.00 0.00 36.82 35.82 1jh4 h ILE 43 CO -0.01 0.17 0.12 0.74 -1.08 0.00 0.00 178.15 178.10 1jh4 h THR 44 N 0.93 0.64 -0.91 2.19 2.02 -1.23 -0.34 112.91 116.22 1jh4 h THR 44 Ca 0.49 -0.09 0.08 0.00 0.77 0.00 0.00 66.41 67.67 1jh4 h THR 44 Cb 0.53 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 1jh4 h THR 44 CO -0.28 0.05 0.59 1.23 0.37 0.00 0.00 175.52 177.47 1jh4 h GLY 45 N 0.25 1.33 0.55 2.16 0.00 -1.42 0.21 103.07 106.15 1jh4 h GLY 45 Ca 0.31 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1jh4 h GLY 45 CO -0.40 0.25 -0.25 -0.33 0.00 0.00 0.00 176.54 175.82 1jh4 h MET 46 N 0.97 -0.68 -0.07 4.80 2.07 -1.09 -3.06 114.93 117.88 1jh4 h MET 46 Ca 0.41 0.05 0.02 0.00 -2.07 0.00 0.00 59.70 58.10 1jh4 h MET 46 Cb 0.30 0.15 -0.00 0.00 -1.87 0.00 0.00 31.60 30.18 1jh4 h MET 46 CO -0.17 -0.43 0.11 -0.07 1.07 0.00 0.00 176.91 177.43 1jh4 h LEU 47 N -1.16 0.00 -1.41 1.22 -0.00 -1.10 -3.00 115.31 109.86 1jh4 h LEU 47 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1jh4 h LEU 47 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1jh4 h LEU 47 CO 0.12 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.45 1jh4 n LEU 48 N -3.55 0.00 0.01 1.67 7.94 0.71 -3.38 117.00 120.41 1jh4 n LEU 48 Ca -0.01 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.00 1jh4 n LEU 48 Cb 0.20 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.62 1jh4 n LEU 48 CO 0.24 0.00 0.85 -1.84 -1.11 0.00 0.00 177.39 175.53 1jh4 n GLU 49 N 0.70 0.03 -3.72 1.96 0.28 -1.14 -4.80 120.64 113.95 1jh4 n GLU 49 Ca 0.00 0.14 -0.22 0.00 -0.16 0.00 0.00 57.16 56.92 1jh4 n GLU 49 Cb 0.00 -1.54 -0.04 0.00 1.43 0.00 0.00 31.44 31.29 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 -3.02 2.47 0.52 3.84 1.10 -1.22 -5.12 121.20 119.77 1jh4 s ILE 50 Ca 0.10 -1.44 -0.19 0.00 -0.51 0.00 0.00 60.65 58.61 1jh4 s ILE 50 Cb 0.14 -2.91 -0.07 0.00 0.15 0.00 0.00 42.46 39.77 1jh4 s ILE 50 CO 0.41 0.00 1.06 1.51 -2.11 0.00 0.00 174.94 175.81 1jh4 s ASP 51 N -4.10 6.12 0.59 4.50 -4.77 -1.26 -4.90 116.67 112.84 1jh4 s ASP 51 Ca 0.45 1.95 0.30 0.00 -3.30 0.00 0.00 52.55 51.95 1jh4 s ASP 51 Cb -0.01 -2.56 1.39 0.00 -1.09 0.00 0.00 42.92 40.65 1jh4 s ASP 51 CO 0.26 -0.94 1.78 -1.13 0.70 0.00 0.00 175.17 175.84 1jh4 h ASN 52 N 1.28 0.00 0.31 2.11 -0.73 -1.99 0.27 115.58 116.82 1jh4 h ASN 52 Ca -0.49 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.55 1jh4 h ASN 52 Cb 1.23 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.81 1jh4 h ASN 52 CO 0.58 0.00 -0.51 -1.28 -0.37 0.00 0.00 177.43 175.86 1jh4 h SER 53 N 0.00 0.25 0.05 1.15 0.87 -2.01 -2.97 113.55 110.89 1jh4 h SER 53 Ca 0.32 -0.12 -0.25 0.00 -1.23 0.00 0.00 61.79 60.51 1jh4 h SER 53 Cb 1.66 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 63.56 1jh4 h SER 53 CO -0.00 0.71 -0.97 -0.08 -0.53 0.00 0.00 176.83 175.96 1jh4 h GLU 54 N 0.18 0.65 -0.16 2.24 4.57 -0.82 -3.12 114.58 118.12 1jh4 h GLU 54 Ca 0.01 -0.66 0.02 0.00 -1.18 0.00 0.00 59.36 57.54 1jh4 h GLU 54 Cb 0.96 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1jh4 h GLU 54 CO 0.08 1.26 0.11 -0.07 -1.18 0.00 0.00 179.01 179.21 1jh4 h LEU 55 N 0.39 0.13 -0.28 1.64 4.07 -1.48 -1.71 115.31 118.07 1jh4 h LEU 55 Ca -0.10 -0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.78 1jh4 h LEU 55 Cb 1.61 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.31 1jh4 h LEU 55 CO 0.19 0.09 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.46 1jh4 h LEU 56 N 0.16 0.58 -1.26 1.67 4.07 -1.47 -2.37 115.31 116.68 1jh4 h LEU 56 Ca 0.07 -0.39 0.07 0.00 0.08 0.00 0.00 57.88 57.70 1jh4 h LEU 56 Cb 0.08 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.61 1jh4 h LEU 56 CO -0.01 0.84 0.54 0.45 -1.08 0.00 0.00 178.44 179.17 1jh4 h HIS 57 N 0.31 0.90 -0.40 1.13 3.86 -1.27 -1.54 115.15 118.14 1jh4 h HIS 57 Ca 0.06 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 1jh4 h HIS 57 Cb 0.61 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1jh4 h HIS 57 CO 0.06 0.47 -0.08 0.52 0.86 0.00 0.00 177.93 179.76 1jh4 h MET 58 N 0.89 0.77 -0.16 2.45 2.86 -1.28 0.25 114.93 120.70 1jh4 h MET 58 Ca 0.36 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1jh4 h MET 58 Cb 0.25 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1jh4 h MET 58 CO -0.13 0.89 0.05 1.25 1.06 0.00 0.00 176.91 180.04 1jh4 h LEU 59 N 0.58 0.19 -0.15 1.22 6.46 -0.77 -1.59 115.31 121.25 1jh4 h LEU 59 Ca 0.10 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1jh4 h LEU 59 Cb 0.60 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1jh4 h LEU 59 CO 0.04 0.19 -0.74 -1.84 -0.62 0.00 0.00 178.44 175.47 1jh4 n GLU 60 N -4.46 0.20 -3.56 1.25 0.28 -0.79 -4.70 120.64 108.86 1jh4 n GLU 60 Ca -0.01 -0.15 -0.29 0.00 -0.16 0.00 0.00 57.16 56.55 1jh4 n GLU 60 Cb 0.12 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.37 1jh4 n GLU 60 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1jh4 s SER 61 N -2.90 3.27 0.45 -1.84 0.15 0.85 -4.99 113.70 108.68 1jh4 s SER 61 Ca 0.11 -2.30 0.21 0.00 0.70 0.00 0.00 55.95 54.68 1jh4 s SER 61 Cb 0.17 -0.64 1.19 0.00 -1.71 0.00 0.00 66.02 65.03 1jh4 s SER 61 CO 0.76 -0.30 1.86 -0.65 1.20 0.00 0.00 173.24 176.11 1jh4 h PRO 62 N 6.99 0.29 0.11 5.44 0.11 -1.83 0.52 132.00 143.63 1jh4 h PRO 62 Ca 0.02 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.13 1jh4 h PRO 62 Cb 0.96 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 1jh4 h PRO 62 CO 0.35 0.19 -0.26 1.05 -0.21 0.00 0.00 178.00 179.13 1jh4 h GLU 63 N 0.30 -0.44 0.00 1.05 4.11 -1.94 0.08 114.58 117.73 1jh4 h GLU 63 Ca 0.46 0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.76 1jh4 h GLU 63 Cb 1.32 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1jh4 h GLU 63 CO -0.14 -0.30 -0.79 0.77 0.07 0.00 0.00 179.01 178.62 1jh4 h SER 64 N -0.46 0.00 0.46 3.06 0.02 -1.71 -3.10 113.55 111.81 1jh4 h SER 64 Ca 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1jh4 h SER 64 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 1jh4 h SER 64 CO -0.15 0.79 -0.38 0.25 -1.14 0.00 0.00 176.83 176.20 1jh4 h LEU 65 N 0.00 -1.00 -1.73 5.07 6.46 -0.45 -2.41 115.31 121.25 1jh4 h LEU 65 Ca -0.01 0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.90 1jh4 h LEU 65 Cb 1.40 0.32 -0.03 0.00 -0.73 0.00 0.00 40.66 41.63 1jh4 h LEU 65 CO 0.10 -0.52 0.31 -0.09 -0.62 0.00 0.00 178.44 177.62 1jh4 h ARG 66 N -0.81 0.31 -0.73 1.25 2.43 -1.09 -1.85 114.38 113.90 1jh4 h ARG 66 Ca -0.06 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.23 1jh4 h ARG 66 Cb 0.68 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.07 1jh4 h ARG 66 CO -0.00 0.21 0.27 0.77 -1.51 0.00 0.00 179.97 179.70 1jh4 h SER 67 N 0.32 0.23 0.02 -3.80 0.02 -1.36 0.49 113.55 109.48 1jh4 h SER 67 Ca 0.21 0.11 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1jh4 h SER 67 Cb 0.41 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 1jh4 h SER 67 CO -0.05 0.09 -0.40 0.11 -1.14 0.00 0.00 176.83 175.44 1jh4 h LYS 68 N 0.41 0.05 0.35 3.45 1.79 -1.16 -3.15 116.57 118.32 1jh4 h LYS 68 Ca 0.40 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1jh4 h LYS 68 Cb 0.60 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 1jh4 h LYS 68 CO -0.40 1.04 -0.30 0.28 -1.08 0.00 0.00 179.45 178.99 1jh4 h VAL 69 N -0.88 0.37 -0.15 0.50 2.07 -1.21 -1.12 116.25 115.83 1jh4 h VAL 69 Ca -0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1jh4 h VAL 69 Cb 1.18 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 1jh4 h VAL 69 CO -0.01 0.00 -0.43 -0.78 0.02 0.00 0.00 177.57 176.37 1jh4 h ASP 70 N -0.66 -1.34 -0.35 0.57 1.82 -0.20 -0.89 116.42 115.36 1jh4 h ASP 70 Ca -0.02 0.18 0.08 0.00 -0.39 0.00 0.00 57.03 56.87 1jh4 h ASP 70 Cb 0.59 0.55 -0.08 0.00 0.68 0.00 0.00 39.33 41.06 1jh4 h ASP 70 CO -0.03 -0.42 -0.24 -0.33 -1.61 0.00 0.00 179.24 176.61 1jh4 h GLU 71 N -0.48 -0.18 -0.96 0.28 3.07 -1.48 -1.02 114.58 113.81 1jh4 h GLU 71 Ca 0.08 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.06 1jh4 h GLU 71 Cb 0.63 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 28.50 1jh4 h GLU 71 CO -0.41 -0.12 0.59 0.00 -1.40 0.00 0.00 179.01 177.67 1jh4 h ALA 72 N 0.97 1.42 -0.89 3.43 0.00 -0.57 0.10 119.26 123.72 1jh4 h ALA 72 Ca 0.17 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.33 1jh4 h ALA 72 Cb 0.46 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1jh4 h ALA 72 CO -0.46 0.22 0.60 -0.39 0.00 0.00 0.00 179.25 179.22 1jh4 h VAL 73 N 0.96 0.64 0.29 0.00 -1.51 0.20 1.27 116.25 118.10 1jh4 h VAL 73 Ca 0.47 -0.09 -0.01 0.00 -1.23 0.00 0.00 66.70 65.83 1jh4 h VAL 73 Cb 0.42 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 1jh4 h VAL 73 CO -0.25 0.05 -0.14 0.00 -1.23 0.00 0.00 177.57 176.00 1jh4 h ALA 74 N 1.60 -0.42 0.90 5.19 0.00 -0.70 -2.71 119.26 123.13 1jh4 h ALA 74 Ca 0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1jh4 h ALA 74 Cb 1.34 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1jh4 h ALA 74 CO -0.12 -0.39 -0.43 0.28 0.00 0.00 0.00 179.25 178.58 1jh4 h VAL 75 N -1.00 0.08 -0.10 0.00 2.07 -0.71 -2.51 116.25 114.09 1jh4 h VAL 75 Ca -0.04 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1jh4 h VAL 75 Cb 0.30 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1jh4 h VAL 75 CO 0.06 0.00 -0.40 0.25 0.02 0.00 0.00 177.57 177.50 1jh4 h LEU 76 N -1.25 -1.25 -1.57 2.57 6.46 0.14 1.41 115.31 121.83 1jh4 h LEU 76 Ca -0.12 0.16 0.24 0.00 -0.12 0.00 0.00 57.88 58.04 1jh4 h LEU 76 Cb 0.93 0.51 -0.07 0.00 -0.73 0.00 0.00 40.66 41.30 1jh4 h LEU 76 CO 0.20 -0.42 0.64 1.56 -0.62 0.00 0.00 178.44 179.80 1jh4 h GLN 77 N -0.50 0.31 0.06 1.25 4.20 -1.53 0.24 115.11 119.15 1jh4 h GLN 77 Ca 0.07 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1jh4 h GLN 77 Cb 0.62 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1jh4 h GLN 77 CO -0.37 0.21 -0.53 0.00 -0.67 0.00 0.00 178.83 177.47 1jh4 h ALA 78 N 1.59 0.01 0.00 3.87 0.00 -0.51 -3.30 119.26 120.92 1jh4 h ALA 78 Ca 0.50 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jh4 h ALA 78 Cb 1.40 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1jh4 h ALA 78 CO -0.18 0.27 0.00 0.72 0.00 0.00 0.00 179.25 180.07 1jh4 n HIS 79 N -4.36 0.00 1.20 0.00 8.25 0.46 -2.49 115.22 118.29 1jh4 n HIS 79 Ca -0.15 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.32 1jh4 n HIS 79 Cb 0.66 -0.40 0.03 0.00 1.12 0.00 0.00 29.99 31.39 1jh4 n HIS 79 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1jh4 n GLN 80 N -1.40 1.23 -0.05 -0.41 6.02 0.76 -3.01 117.38 120.51 1jh4 n GLN 80 Ca 0.04 -0.22 0.01 0.00 -0.01 0.00 0.00 57.00 56.82 1jh4 n GLN 80 Cb 0.10 -1.38 0.02 0.00 1.02 0.00 0.00 30.24 30.00 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jh4 n ALA 81 N -0.09 1.68 -1.65 -1.58 0.00 -1.04 -5.08 120.51 112.75 1jh4 n ALA 81 Ca 0.02 -1.02 -0.15 0.00 0.00 0.00 0.00 53.44 52.29 1jh4 n ALA 81 Cb 0.22 -0.09 0.15 0.00 0.00 0.00 0.00 19.45 19.73 1jh4 n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jh4 n LYS 82 N -0.39 -0.95 -2.78 0.00 4.76 -1.16 -5.04 118.16 112.60 1jh4 n LYS 82 Ca 0.02 -1.47 -0.36 0.00 -2.87 0.00 0.00 58.31 53.63 1jh4 n LYS 82 Cb 0.42 -0.99 -0.06 0.00 -1.84 0.00 0.00 35.03 32.56 1jh4 n LYS 82 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1jh4 s GLU 83 N -5.08 4.46 0.53 1.97 1.03 -1.26 -4.95 118.70 115.39 1jh4 s GLU 83 Ca 0.54 1.28 0.32 0.00 0.03 0.00 0.00 54.97 57.14 1jh4 s GLU 83 Cb -0.01 -2.61 1.26 0.00 -0.80 0.00 0.00 34.13 31.97 1jh4 s GLU 83 CO 0.38 0.17 1.95 0.00 -1.33 0.00 0.00 175.26 176.43 1jh4 h ALA 84 N 2.77 1.01 -1.57 -0.84 0.00 -2.01 -3.42 119.26 115.21 1jh4 h ALA 84 Ca -0.47 -0.03 -0.48 0.00 0.00 0.00 0.00 54.91 53.93 1jh4 h ALA 84 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1jh4 h ALA 84 CO 0.64 0.04 1.52 0.00 0.00 0.00 0.00 179.25 181.45 1jh4 s ALA 85 N -3.65 1.86 -0.06 0.00 0.00 -1.26 -4.79 121.76 113.86 1jh4 s ALA 85 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 51.96 51.67 1jh4 s ALA 85 Cb 0.09 -4.33 -0.28 0.00 0.00 0.00 0.00 23.12 18.60 1jh4 s ALA 85 CO 0.56 -4.21 0.61 0.37 0.00 0.00 0.00 175.76 173.09 1jh4 h GLN 86 N 17.66 0.29 0.00 0.00 5.75 -2.00 -3.37 115.11 133.45 1jh4 h GLN 86 Ca -0.25 -0.50 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 1jh4 h GLN 86 Cb 1.22 0.19 0.00 0.00 1.07 0.00 0.00 27.48 29.96 1jh4 h GLN 86 CO 1.18 1.18 -0.92 0.36 -2.65 0.00 0.00 178.83 177.98 1jh4 n LYS 87 N -3.48 0.15 -0.38 1.69 2.85 -1.26 -4.03 118.16 113.70 1jh4 n LYS 87 Ca -0.25 -0.01 0.04 0.00 -1.05 0.00 0.00 58.31 57.05 1jh4 n LYS 87 Cb 1.06 -1.54 0.19 0.00 -0.65 0.00 0.00 35.03 34.09 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jh4 n ALA 88 N -1.68 2.99 -2.63 0.58 0.00 -1.26 -4.88 120.51 113.64 1jh4 n ALA 88 Ca 0.03 -0.87 -0.39 0.00 0.00 0.00 0.00 53.44 52.21 1jh4 n ALA 88 Cb 0.39 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1jh4 n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jh4 s VAL 89 N -1.78 5.05 -0.39 0.00 1.01 -1.26 -5.04 120.40 118.00 1jh4 s VAL 89 Ca 0.27 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.24 1jh4 s VAL 89 Cb 0.19 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1jh4 s VAL 89 CO 0.10 0.36 0.34 0.54 0.00 0.00 0.00 175.10 176.44 1jh4 s ASN 90 N 0.28 6.14 -0.26 3.32 2.20 -1.26 -5.05 114.94 120.30 1jh4 s ASN 90 Ca 0.30 -0.64 -0.15 0.00 -0.94 0.00 0.00 52.86 51.42 1jh4 s ASN 90 Cb -0.17 -2.18 -0.04 0.00 -2.00 0.00 0.00 41.25 36.87 1jh4 s ASN 90 CO 0.14 -0.43 0.40 -0.44 -2.94 0.00 0.00 177.10 173.83 1jh4 s SER 91 N 1.73 6.29 -0.01 3.54 0.01 -1.26 -4.94 113.70 119.07 1jh4 s SER 91 Ca 0.08 0.34 0.04 0.00 1.31 0.00 0.00 55.95 57.72 1jh4 s SER 91 Cb -0.18 -2.22 0.12 0.00 0.21 0.00 0.00 66.02 63.95 1jh4 s SER 91 CO 0.11 -0.20 1.03 0.00 0.41 0.00 0.00 173.24 174.60 1jh4 n ALA 92 N 5.32 2.53 -0.03 1.44 0.00 -1.26 -3.37 120.51 125.14 1jh4 n ALA 92 Ca -0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 53.44 53.10 1jh4 n ALA 92 Cb 0.51 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1jh4 n ALA 92 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jh4 n THR 93 N -0.06 0.36 0.00 0.00 -2.24 -1.26 -5.00 114.28 106.08 1jh4 n THR 93 Ca 0.05 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1jh4 n THR 93 Cb 0.17 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1jh4 n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jh4 n GLY 94 N 2.17 0.47 3.70 3.38 0.00 -1.22 -5.04 105.19 108.66 1jh4 n GLY 94 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1jh4 n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jh4 s VAL 95 N 2.48 5.21 -1.18 1.61 1.01 -1.26 -4.99 120.40 123.28 1jh4 s VAL 95 Ca 0.00 0.80 -0.23 0.00 0.00 0.00 0.00 61.98 62.55 1jh4 s VAL 95 Cb 0.00 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.52 1jh4 s VAL 95 CO 0.00 0.31 1.95 -2.16 0.00 0.00 0.00 175.10 175.20 1jh4 s PRO 96 N 0.86 2.36 0.14 2.72 0.04 -1.26 -4.76 135.00 135.09 1jh4 s PRO 96 Ca 0.22 -1.11 -0.01 0.00 0.04 0.00 0.00 61.00 60.14 1jh4 s PRO 96 Cb -0.15 -5.22 -0.04 0.00 0.04 0.00 0.00 34.50 29.13 1jh4 s PRO 96 CO 0.08 -4.15 0.32 0.99 0.04 0.00 0.00 177.00 174.28 1jh4 s THR 97 N 11.66 5.27 0.00 1.26 2.01 -1.26 -5.18 115.64 129.40 1jh4 s THR 97 Ca 0.70 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1jh4 s THR 97 Cb -0.01 -3.68 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1jh4 s THR 97 CO 0.14 -0.03 0.35 1.33 -0.69 0.00 0.00 174.62 175.72