#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 n PRO 2 N 0.00 0.11 -1.32 1.61 -0.04 -1.26 -4.78 135.00 129.32 1jh4 n PRO 2 Ca 0.00 0.35 -0.22 0.00 -0.04 0.00 0.00 63.50 63.59 1jh4 n PRO 2 Cb 0.00 -1.72 0.16 0.00 -0.04 0.00 0.00 33.50 31.90 1jh4 n PRO 2 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1jh4 n LEU 3 N -1.94 0.00 -2.03 1.53 -0.00 -1.26 -4.94 117.00 108.37 1jh4 n LEU 3 Ca 0.03 -1.07 -0.20 0.00 -0.00 0.00 0.00 56.01 54.77 1jh4 n LEU 3 Cb 0.20 -0.77 0.03 0.00 -0.00 0.00 0.00 43.42 42.88 1jh4 n LEU 3 CO 0.17 -1.34 1.29 0.61 -0.00 0.00 0.00 177.39 178.12 1jh4 n GLY 4 N -1.87 4.37 3.68 1.47 0.00 -1.26 -4.95 105.19 106.63 1jh4 n GLY 4 Ca 0.12 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1jh4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jh4 s SER 5 N -0.06 6.98 0.40 1.61 0.15 -1.26 -4.98 113.70 116.55 1jh4 s SER 5 Ca 0.39 1.87 -0.24 0.00 0.70 0.00 0.00 55.95 58.66 1jh4 s SER 5 Cb 0.29 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.94 1jh4 s SER 5 CO -0.03 -0.65 0.92 -2.65 1.20 0.00 0.00 173.24 172.03 1jh4 n PRO 6 N 5.49 1.18 -3.71 5.44 -0.02 -1.26 -4.98 135.00 137.14 1jh4 n PRO 6 Ca 0.12 0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 61.67 1jh4 n PRO 6 Cb 0.45 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.06 4.39 -0.06 2.45 1.98 -1.26 -5.01 118.68 121.22 1jh4 s LEU 7 Ca 0.63 0.65 -0.09 0.00 -2.89 0.00 0.00 54.13 52.43 1jh4 s LEU 7 Cb -0.59 -2.56 -0.29 0.00 0.66 0.00 0.00 46.19 43.41 1jh4 s LEU 7 CO 0.57 0.29 0.61 0.71 -1.89 0.00 0.00 176.35 176.65 1jh4 h THR 8 N 3.36 0.87 0.09 3.68 1.35 -1.98 -2.88 112.91 117.41 1jh4 h THR 8 Ca -0.51 -2.50 -0.00 0.00 -0.55 0.00 0.00 66.41 62.84 1jh4 h THR 8 Cb 1.21 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 1jh4 h THR 8 CO 0.63 0.86 -0.05 0.00 -0.25 0.00 0.00 175.52 176.71 1jh4 h ALA 9 N 0.16 -1.00 -0.15 6.62 0.00 -2.01 -2.60 119.26 120.28 1jh4 h ALA 9 Ca -0.36 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1jh4 h ALA 9 Cb 2.08 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 1jh4 h ALA 9 CO 0.15 -0.99 0.19 0.77 0.00 0.00 0.00 179.25 179.37 1jh4 h SER 10 N -0.13 0.00 -0.75 0.00 0.02 -1.98 -1.07 113.55 109.64 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 0.10 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1jh4 h SER 10 CO 0.02 0.00 0.31 0.00 -1.14 0.00 0.00 176.83 176.02 1jh4 h MET 11 N 0.00 1.11 0.58 3.45 -0.00 -1.27 -0.44 114.93 118.36 1jh4 h MET 11 Ca 0.07 -0.20 -0.03 0.00 -0.00 0.00 0.00 59.70 59.55 1jh4 h MET 11 Cb 0.45 -0.18 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 1jh4 h MET 11 CO -0.00 0.91 -0.30 1.25 -0.00 0.00 0.00 176.91 178.77 1jh4 h LEU 12 N 1.08 -0.72 0.00 -0.10 7.12 -0.81 -0.98 115.31 120.89 1jh4 h LEU 12 Ca 0.25 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1jh4 h LEU 12 Cb 0.20 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1jh4 h LEU 12 CO -0.02 -0.50 0.00 0.00 -0.13 0.00 0.00 178.44 177.79 1jh4 n ALA 13 N -2.47 2.11 0.59 1.25 0.00 -1.13 -2.22 120.51 118.63 1jh4 n ALA 13 Ca -0.13 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.39 1jh4 n ALA 13 Cb 0.34 -1.12 0.22 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.71 3.13 -4.09 0.00 2.88 -0.19 -4.93 113.62 109.71 1jh4 n SER 14 Ca 0.06 -1.95 -0.17 0.00 -1.33 0.00 0.00 58.87 55.48 1jh4 n SER 14 Cb 0.03 -0.18 -0.13 0.00 -0.75 0.00 0.00 64.21 63.18 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 -1.65 0.85 0.74 -1.46 0.00 -0.94 -5.04 121.76 114.26 1jh4 s ALA 15 Ca 0.36 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 1jh4 s ALA 15 Cb 0.22 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 1jh4 s ALA 15 CO 0.31 0.11 -0.58 -2.30 0.00 0.00 0.00 175.76 173.30 1jh4 n PRO 16 N 1.83 -0.19 0.00 0.00 -0.01 -1.26 -4.63 135.00 130.73 1jh4 n PRO 16 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 63.50 63.24 1jh4 n PRO 16 Cb 0.55 -1.05 0.00 0.00 -0.01 0.00 0.00 33.50 32.99 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 1.84 0.00 0.32 0.52 -0.02 -1.26 -1.91 135.00 134.49 1jh4 n PRO 17 Ca -0.00 0.40 0.18 0.00 -2.02 0.00 0.00 63.50 62.06 1jh4 n PRO 17 Cb 0.33 -1.08 0.98 0.00 -0.02 0.00 0.00 33.50 33.70 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 -1.74 -0.52 -0.00 -2.02 -1.89 115.11 108.94 1jh4 h GLN 18 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1jh4 h GLN 18 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.43 1jh4 h GLN 18 CO 0.00 0.00 0.15 0.39 -0.00 0.00 0.00 178.83 179.37 1jh4 n GLU 19 N -2.90 1.28 0.00 0.06 1.02 -0.80 -4.47 120.64 114.82 1jh4 n GLU 19 Ca -0.02 -0.55 0.00 0.00 -0.02 0.00 0.00 57.16 56.56 1jh4 n GLU 19 Cb 0.21 -1.22 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 1.00 0.00 0.00 3.49 10.64 -0.71 -4.04 117.38 127.75 1jh4 n GLN 20 Ca 0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1jh4 n GLN 20 Cb 0.55 -0.38 0.00 0.00 -0.86 0.00 0.00 30.24 29.54 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 -0.13 0.95 0.00 2.61 5.02 -1.26 -4.30 118.16 121.05 1jh4 n LYS 21 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1jh4 n LYS 21 Cb 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1jh4 n GLN 22 N -0.06 0.00 0.00 1.97 0.00 -1.26 -2.95 117.38 115.08 1jh4 n GLN 22 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.45 1jh4 n GLN 22 Cb 0.20 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 29.05 1jh4 n GLN 22 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1jh4 n MET 23 N -1.84 0.00 -0.15 3.69 2.81 -1.26 -2.82 117.12 117.55 1jh4 n MET 23 Ca 0.00 0.05 -0.02 0.00 -1.81 0.00 0.00 57.70 55.91 1jh4 n MET 23 Cb 0.00 -0.61 -0.02 0.00 -0.71 0.00 0.00 33.22 31.88 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 -0.16 0.82 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.54 1jh4 n LEU 24 Ca 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 56.01 55.04 1jh4 n LEU 24 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 1jh4 n LEU 24 CO 0.00 -0.27 0.00 0.61 -0.00 0.00 0.00 177.39 177.73 1jh4 n GLY 25 N 3.08 0.50 0.00 1.47 0.00 -1.13 -4.03 105.19 105.08 1jh4 n GLY 25 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1jh4 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jh4 n GLU 26 N 4.59 0.00 0.00 1.61 1.02 -1.26 -4.31 120.64 122.29 1jh4 n GLU 26 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1jh4 n GLU 26 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1jh4 n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jh4 n ARG 27 N -0.45 0.00 0.14 3.49 5.12 -1.26 -4.91 116.66 118.80 1jh4 n ARG 27 Ca 0.00 -0.33 -0.23 0.00 -1.93 0.00 0.00 57.85 55.36 1jh4 n ARG 27 Cb 0.00 -0.37 -0.16 0.00 -1.16 0.00 0.00 32.46 30.78 1jh4 n ARG 27 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1jh4 h LEU 28 N 0.00 0.75 -0.75 0.55 3.38 -1.90 -3.22 115.31 114.13 1jh4 h LEU 28 Ca 0.00 -0.82 0.15 0.00 0.09 0.00 0.00 57.88 57.30 1jh4 h LEU 28 Cb 0.95 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 1jh4 h LEU 28 CO 0.00 1.64 0.27 0.15 0.09 0.00 0.00 178.44 180.59 1jh4 h PHE 29 N 0.13 0.45 -0.47 1.13 3.57 -1.79 0.88 116.94 120.83 1jh4 h PHE 29 Ca -0.24 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.27 1jh4 h PHE 29 Cb 2.13 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.77 1jh4 h PHE 29 CO 0.11 0.02 0.16 -1.35 -2.23 0.00 0.00 178.31 175.03 1jh4 h PRO 30 N 0.39 0.73 -0.24 6.41 0.11 -1.86 0.53 132.00 138.07 1jh4 h PRO 30 Ca 0.41 -0.15 -0.06 0.00 0.11 0.00 0.00 66.00 66.32 1jh4 h PRO 30 Cb 0.65 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1jh4 h PRO 30 CO -0.43 0.68 -0.10 -0.07 -0.21 0.00 0.00 178.00 177.87 1jh4 h LEU 31 N 0.63 0.49 -0.48 2.35 3.38 -1.14 -2.96 115.31 117.58 1jh4 h LEU 31 Ca 0.16 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1jh4 h LEU 31 Cb 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1jh4 h LEU 31 CO -0.01 0.78 -0.09 -0.29 0.09 0.00 0.00 178.44 178.92 1jh4 h ILE 32 N 0.20 1.27 -0.92 1.22 -0.00 0.78 -2.54 117.51 117.52 1jh4 h ILE 32 Ca 0.05 -1.21 0.26 0.00 -0.00 0.00 0.00 64.86 63.97 1jh4 h ILE 32 Cb 0.58 1.06 -0.16 0.00 -0.00 0.00 0.00 36.82 38.30 1jh4 h ILE 32 CO 0.03 0.42 0.23 1.56 -0.00 0.00 0.00 178.15 180.39 1jh4 h GLN 33 N 0.77 0.14 -0.61 2.19 4.20 0.16 2.35 115.11 124.31 1jh4 h GLN 33 Ca 0.13 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.87 1jh4 h GLN 33 Cb 0.63 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1jh4 h GLN 33 CO 0.04 0.09 0.40 0.00 -0.67 0.00 0.00 178.83 178.70 1jh4 h ALA 34 N 1.85 1.71 0.00 3.87 0.00 -1.29 -3.28 119.26 122.13 1jh4 h ALA 34 Ca 0.60 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 55.15 1jh4 h ALA 34 Cb 1.27 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1jh4 h ALA 34 CO -0.73 0.21 -2.03 -1.33 0.00 0.00 0.00 179.25 175.38 1jh4 n MET 35 N -4.47 0.57 -3.52 0.00 2.81 0.30 -5.03 117.12 107.79 1jh4 n MET 35 Ca 0.08 0.29 -0.21 0.00 -1.81 0.00 0.00 57.70 56.05 1jh4 n MET 35 Cb 0.16 -1.51 0.08 0.00 -0.71 0.00 0.00 33.22 31.25 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 -2.53 0.00 2.03 8.25 0.71 -4.97 115.22 114.39 1jh4 n HIS 36 Ca -0.42 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.01 1jh4 n HIS 36 Cb 0.77 -5.05 0.00 0.00 1.12 0.00 0.00 29.99 26.83 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 -4.56 0.00 -0.06 -0.41 -0.04 -1.26 -4.69 135.00 123.97 1jh4 n PRO 37 Ca -0.14 0.31 -0.06 0.00 -0.04 0.00 0.00 63.50 63.57 1jh4 n PRO 37 Cb 0.62 -1.30 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.43 1.08 -3.29 0.52 -2.24 -1.26 -5.03 114.28 102.63 1jh4 n THR 38 Ca 0.00 0.25 0.03 0.00 -2.27 0.00 0.00 64.05 62.06 1jh4 n THR 38 Cb 0.00 -2.14 -0.02 0.00 -2.10 0.00 0.00 70.33 66.07 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 -7.17 -1.04 0.13 3.22 1.02 -1.26 -5.05 118.68 108.52 1jh4 s LEU 39 Ca -0.18 0.90 -0.25 0.00 0.02 0.00 0.00 54.13 54.62 1jh4 s LEU 39 Cb 0.02 1.97 -0.03 0.00 0.02 0.00 0.00 46.19 48.17 1jh4 s LEU 39 CO 0.27 -0.20 1.64 0.00 0.02 0.00 0.00 176.35 178.08 1jh4 h ALA 40 N 7.93 -0.29 -0.72 4.21 0.00 -1.91 1.09 119.26 129.58 1jh4 h ALA 40 Ca -0.19 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1jh4 h ALA 40 Cb 1.14 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 1jh4 h ALA 40 CO 0.13 -0.73 0.47 0.78 0.00 0.00 0.00 179.25 179.90 1jh4 h GLY 41 N -0.35 0.96 0.80 0.00 0.00 -1.97 -2.77 103.07 99.74 1jh4 h GLY 41 Ca 0.08 -0.31 -0.27 0.00 0.00 0.00 0.00 47.33 46.83 1jh4 h GLY 41 CO -0.26 0.25 -1.27 0.50 0.00 0.00 0.00 176.54 175.76 1jh4 h LYS 42 N 0.79 0.35 -0.75 4.80 1.79 -1.78 -3.34 116.57 118.43 1jh4 h LYS 42 Ca 0.30 -0.59 0.14 0.00 -2.18 0.00 0.00 60.65 58.32 1jh4 h LYS 42 Cb 0.19 0.22 -0.10 0.00 -1.58 0.00 0.00 32.23 30.96 1jh4 h LYS 42 CO -0.10 1.28 0.28 0.82 -1.08 0.00 0.00 179.45 180.66 1jh4 h ILE 43 N -0.18 0.64 -0.41 1.86 5.03 0.13 -1.58 117.51 123.01 1jh4 h ILE 43 Ca -0.25 -0.14 0.07 0.00 -0.12 0.00 0.00 64.86 64.43 1jh4 h ILE 43 Cb 1.85 0.19 -0.06 0.00 -3.03 0.00 0.00 36.82 35.76 1jh4 h ILE 43 CO 0.15 0.08 0.01 0.74 -0.68 0.00 0.00 178.15 178.45 1jh4 h THR 44 N 0.42 0.70 -0.72 -0.27 2.02 -1.63 -0.25 112.91 113.18 1jh4 h THR 44 Ca 0.41 -0.04 0.17 0.00 0.77 0.00 0.00 66.41 67.72 1jh4 h THR 44 Cb 0.64 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 1jh4 h THR 44 CO -0.42 0.02 0.49 1.23 0.37 0.00 0.00 175.52 177.22 1jh4 h GLY 45 N 0.12 0.45 0.18 2.16 0.00 -1.40 0.36 103.07 104.94 1jh4 h GLY 45 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1jh4 h GLY 45 CO -0.33 0.03 -0.08 -0.33 0.00 0.00 0.00 176.54 175.84 1jh4 h MET 46 N 0.25 -0.21 -0.07 4.80 2.07 -1.01 -3.27 114.93 117.50 1jh4 h MET 46 Ca 0.35 0.01 0.02 0.00 -2.07 0.00 0.00 59.70 58.02 1jh4 h MET 46 Cb 1.02 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.79 1jh4 h MET 46 CO -0.08 -0.05 0.11 -0.07 1.07 0.00 0.00 176.91 177.89 1jh4 h LEU 47 N -1.04 0.00 -0.50 1.22 -0.00 -0.74 -2.81 115.31 111.45 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 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1jh4 h LEU 47 CO 0.04 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.37 1jh4 n LEU 48 N -3.56 0.00 0.00 1.67 7.94 0.12 -2.87 117.00 120.30 1jh4 n LEU 48 Ca -0.01 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.99 1jh4 n LEU 48 Cb 0.20 0.00 0.49 0.00 0.53 0.00 0.00 43.42 44.64 1jh4 n LEU 48 CO 0.24 0.00 0.84 -1.84 -1.11 0.00 0.00 177.39 175.53 1jh4 n GLU 49 N -0.00 0.11 -3.79 1.96 0.28 -1.06 -4.81 120.64 113.32 1jh4 n GLU 49 Ca 0.00 0.11 -0.25 0.00 -0.16 0.00 0.00 57.16 56.87 1jh4 n GLU 49 Cb 0.00 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.36 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 -2.85 1.90 0.30 3.84 2.07 -1.14 -5.11 121.20 120.22 1jh4 s ILE 50 Ca 0.14 -1.45 -0.28 0.00 -1.41 0.00 0.00 60.65 57.65 1jh4 s ILE 50 Cb 0.14 -2.35 -0.09 0.00 0.13 0.00 0.00 42.46 40.29 1jh4 s ILE 50 CO 0.37 0.00 1.10 -0.62 -1.91 0.00 0.00 174.94 173.88 1jh4 s ASP 51 N -4.25 7.15 0.60 4.50 2.15 -1.26 -4.89 116.67 120.66 1jh4 s ASP 51 Ca 0.39 2.24 0.28 0.00 0.43 0.00 0.00 52.55 55.89 1jh4 s ASP 51 Cb -0.02 -2.62 1.30 0.00 -0.30 0.00 0.00 42.92 41.28 1jh4 s ASP 51 CO 0.24 -0.22 1.70 -1.13 -0.17 0.00 0.00 175.17 175.58 1jh4 h ASN 52 N 3.56 0.00 0.95 -0.34 -0.73 -1.99 0.64 115.58 117.66 1jh4 h ASN 52 Ca -0.47 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 57.63 1jh4 h ASN 52 Cb 1.21 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 1jh4 h ASN 52 CO 0.66 0.00 -0.31 -1.28 -0.37 0.00 0.00 177.43 176.13 1jh4 h SER 53 N 0.00 0.00 0.04 1.15 0.87 -2.01 -3.09 113.55 110.51 1jh4 h SER 53 Ca 0.30 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.61 1jh4 h SER 53 Cb 1.75 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.72 1jh4 h SER 53 CO -0.00 0.31 -0.98 -0.33 -0.53 0.00 0.00 176.83 175.30 1jh4 h GLU 54 N 0.00 0.66 -0.19 2.24 4.39 -0.06 -3.07 114.58 118.55 1jh4 h GLU 54 Ca -0.00 -0.68 -0.05 0.00 0.34 0.00 0.00 59.36 58.96 1jh4 h GLU 54 Cb 0.87 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1jh4 h GLU 54 CO 0.04 1.27 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.97 1jh4 h LEU 55 N 0.39 0.29 -0.96 1.33 4.07 -1.54 -1.76 115.31 117.13 1jh4 h LEU 55 Ca -0.11 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.71 1jh4 h LEU 55 Cb 1.62 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 43.27 1jh4 h LEU 55 CO 0.19 0.44 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.80 1jh4 h LEU 56 N 0.29 0.60 -0.59 1.67 3.38 -1.53 -1.62 115.31 117.51 1jh4 h LEU 56 Ca 0.06 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1jh4 h LEU 56 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1jh4 h LEU 56 CO 0.02 0.76 0.08 0.45 0.09 0.00 0.00 178.44 179.84 1jh4 h HIS 57 N 0.57 1.07 -0.40 1.13 3.86 -1.24 -2.82 115.15 117.31 1jh4 h HIS 57 Ca 0.10 -0.16 -0.12 0.00 -1.16 0.00 0.00 60.37 59.03 1jh4 h HIS 57 Cb 0.54 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1jh4 h HIS 57 CO 0.02 0.93 -0.24 0.00 0.86 0.00 0.00 177.93 179.50 1jh4 h MET 58 N 0.90 0.87 0.00 2.45 -0.00 -1.16 -2.13 114.93 115.86 1jh4 h MET 58 Ca 0.18 -0.40 -0.00 0.00 -0.00 0.00 0.00 59.70 59.48 1jh4 h MET 58 Cb 0.45 -0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 32.03 1jh4 h MET 58 CO 0.02 1.04 -0.00 1.25 -0.00 0.00 0.00 176.91 179.21 1jh4 h LEU 59 N 0.68 0.00 -0.70 -0.10 6.46 -1.18 0.12 115.31 120.59 1jh4 h LEU 59 Ca 0.08 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1jh4 h LEU 59 Cb 0.81 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1jh4 h LEU 59 CO 0.07 0.00 -0.57 -1.84 -0.62 0.00 0.00 178.44 175.48 1jh4 n GLU 60 N -3.37 0.87 -3.49 1.25 0.28 -1.01 -4.79 120.64 110.37 1jh4 n GLU 60 Ca -0.03 -0.70 -0.23 0.00 -0.16 0.00 0.00 57.16 56.04 1jh4 n GLU 60 Cb 0.08 -1.49 -0.13 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 -2.61 2.41 0.44 -1.84 0.01 0.43 -5.02 113.70 107.53 1jh4 s SER 61 Ca 0.17 -0.86 0.21 0.00 1.31 0.00 0.00 55.95 56.78 1jh4 s SER 61 Cb 0.18 0.08 1.17 0.00 0.21 0.00 0.00 66.02 67.66 1jh4 s SER 61 CO 0.64 -0.39 1.84 -0.65 0.41 0.00 0.00 173.24 175.08 1jh4 h PRO 62 N 8.34 0.31 0.05 12.44 0.11 -1.87 0.18 132.00 151.57 1jh4 h PRO 62 Ca -0.17 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.95 1jh4 h PRO 62 Cb 1.07 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 1jh4 h PRO 62 CO 0.36 0.21 -0.28 1.05 -0.21 0.00 0.00 178.00 179.13 1jh4 h GLU 63 N 0.32 -0.44 0.00 1.05 4.11 -1.95 0.12 114.58 117.79 1jh4 h GLU 63 Ca 0.50 0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.77 1jh4 h GLU 63 Cb 1.39 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.71 1jh4 h GLU 63 CO -0.17 -0.29 -0.90 1.03 0.07 0.00 0.00 179.01 178.75 1jh4 h SER 64 N -0.45 0.01 0.31 3.06 0.87 -1.67 -2.81 113.55 112.86 1jh4 h SER 64 Ca 0.05 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1jh4 h SER 64 Cb 0.52 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1jh4 h SER 64 CO -0.21 0.91 -0.23 0.25 -0.53 0.00 0.00 176.83 177.01 1jh4 h LEU 65 N 0.00 -0.62 -1.81 2.23 6.46 -0.18 -2.49 115.31 118.91 1jh4 h LEU 65 Ca -0.01 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1jh4 h LEU 65 Cb 1.59 0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1jh4 h LEU 65 CO 0.12 -0.34 -0.12 -0.09 -0.62 0.00 0.00 178.44 177.39 1jh4 h ARG 66 N -0.52 0.00 -0.40 1.25 2.43 -0.90 -2.62 114.38 113.61 1jh4 h ARG 66 Ca -0.04 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1jh4 h ARG 66 Cb 0.43 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.91 1jh4 h ARG 66 CO 0.01 0.12 -0.12 0.77 -1.51 0.00 0.00 179.97 179.25 1jh4 h SER 67 N 0.00 -0.42 0.01 -3.80 0.02 -1.18 0.46 113.55 108.65 1jh4 h SER 67 Ca -0.00 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1jh4 h SER 67 Cb 0.23 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1jh4 h SER 67 CO 0.02 -0.15 -0.09 0.11 -1.14 0.00 0.00 176.83 175.58 1jh4 h LYS 68 N -0.02 0.04 0.02 3.45 1.79 -1.25 -3.19 116.57 117.41 1jh4 h LYS 68 Ca 0.19 -0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1jh4 h LYS 68 Cb 0.32 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1jh4 h LYS 68 CO -0.42 0.98 -0.13 0.28 -1.08 0.00 0.00 179.45 179.08 1jh4 h VAL 69 N -0.88 0.68 -0.26 0.50 2.07 -1.40 -1.93 116.25 115.05 1jh4 h VAL 69 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1jh4 h VAL 69 Cb 1.02 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1jh4 h VAL 69 CO 0.02 0.00 -0.34 -0.78 0.02 0.00 0.00 177.57 176.49 1jh4 h ASP 70 N -0.23 -1.08 -0.64 0.57 3.58 -0.22 -0.39 116.42 118.01 1jh4 h ASP 70 Ca 0.04 0.17 0.13 0.00 0.42 0.00 0.00 57.03 57.79 1jh4 h ASP 70 Cb 0.28 0.48 -0.11 0.00 1.72 0.00 0.00 39.33 41.69 1jh4 h ASP 70 CO -0.11 -0.35 -0.06 -0.33 -2.88 0.00 0.00 179.24 175.51 1jh4 h GLU 71 N -0.34 0.06 -0.69 0.28 3.07 -1.48 0.55 114.58 116.03 1jh4 h GLU 71 Ca 0.13 -0.00 0.13 0.00 -0.50 0.00 0.00 59.36 59.11 1jh4 h GLU 71 Cb 0.55 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 28.31 1jh4 h GLU 71 CO -0.44 0.04 -0.28 0.00 -1.40 0.00 0.00 179.01 176.93 1jh4 h ALA 72 N 1.61 0.20 -0.89 3.43 0.00 -0.28 0.35 119.26 123.68 1jh4 h ALA 72 Ca 0.33 0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.62 1jh4 h ALA 72 Cb 0.53 0.71 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 1jh4 h ALA 72 CO -0.59 -0.56 0.48 0.28 0.00 0.00 0.00 179.25 178.86 1jh4 h VAL 73 N -0.08 0.74 0.31 0.00 2.07 -0.38 1.10 116.25 120.01 1jh4 h VAL 73 Ca 0.30 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1jh4 h VAL 73 Cb 0.55 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1jh4 h VAL 73 CO -0.74 0.12 -0.15 0.00 0.02 0.00 0.00 177.57 176.82 1jh4 h ALA 74 N 1.57 -0.42 0.79 1.67 0.00 -0.16 -2.92 119.26 119.79 1jh4 h ALA 74 Ca 0.49 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1jh4 h ALA 74 Cb 0.69 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jh4 h ALA 74 CO -0.36 -0.40 -0.38 -0.24 0.00 0.00 0.00 179.25 177.87 1jh4 h VAL 75 N -1.09 0.07 -0.28 0.00 3.04 -0.48 -2.72 116.25 114.79 1jh4 h VAL 75 Ca -0.04 -0.20 0.06 0.00 -1.01 0.00 0.00 66.70 65.52 1jh4 h VAL 75 Cb 0.37 0.09 -0.08 0.00 -2.01 0.00 0.00 31.29 29.66 1jh4 h VAL 75 CO 0.07 0.01 -0.33 0.25 -1.01 0.00 0.00 177.57 176.56 1jh4 h LEU 76 N -1.24 -1.05 -1.69 3.16 6.46 0.11 1.55 115.31 122.60 1jh4 h LEU 76 Ca -0.11 0.17 0.22 0.00 -0.12 0.00 0.00 57.88 58.05 1jh4 h LEU 76 Cb 0.82 0.47 -0.06 0.00 -0.73 0.00 0.00 40.66 41.17 1jh4 h LEU 76 CO 0.18 -0.34 0.60 -0.61 -0.62 0.00 0.00 178.44 177.65 1jh4 h GLN 77 N -0.32 0.24 0.00 1.25 4.15 -1.51 0.42 115.11 119.34 1jh4 h GLN 77 Ca 0.14 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1jh4 h GLN 77 Cb 0.54 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1jh4 h GLN 77 CO -0.46 0.16 -0.13 0.00 -1.93 0.00 0.00 178.83 176.47 1jh4 h ALA 78 N 1.60 0.02 0.00 3.38 0.00 0.04 -3.30 119.26 121.00 1jh4 h ALA 78 Ca 0.45 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jh4 h ALA 78 Cb 1.36 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jh4 h ALA 78 CO -0.12 0.08 0.00 1.58 0.00 0.00 0.00 179.25 180.79 1jh4 n HIS 79 N -4.63 0.00 0.91 0.00 -0.00 0.49 -2.76 115.22 109.22 1jh4 n HIS 79 Ca -0.10 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.08 1jh4 n HIS 79 Cb 0.39 -0.33 0.00 0.00 -0.12 0.00 0.00 29.99 29.93 1jh4 n HIS 79 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1jh4 n GLN 80 N -1.33 0.80 -1.45 1.57 1.13 0.14 -4.88 117.38 113.36 1jh4 n GLN 80 Ca 0.04 0.00 -0.57 0.00 -1.94 0.00 0.00 57.00 54.52 1jh4 n GLN 80 Cb 0.08 -1.35 -0.09 0.00 0.11 0.00 0.00 30.24 28.99 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jh4 n ALA 81 N 0.02 0.25 -0.81 -1.58 0.00 -1.11 -4.91 120.51 112.36 1jh4 n ALA 81 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 1jh4 n ALA 81 Cb 0.17 -2.24 0.20 0.00 0.00 0.00 0.00 19.45 17.59 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jh4 n LYS 82 N 6.97 -3.24 -2.25 0.00 2.85 -1.26 -4.84 118.16 116.40 1jh4 n LYS 82 Ca 0.43 -1.25 -0.39 0.00 -1.05 0.00 0.00 58.31 56.05 1jh4 n LYS 82 Cb 0.07 -1.32 -0.02 0.00 -0.65 0.00 0.00 35.03 33.11 1jh4 n LYS 82 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1jh4 n GLU 83 N -4.38 2.61 -2.14 -1.58 0.28 -1.26 -4.96 120.64 109.21 1jh4 n GLU 83 Ca 0.11 -2.89 -0.39 0.00 -0.16 0.00 0.00 57.16 53.83 1jh4 n GLU 83 Cb 0.45 -3.50 -0.01 0.00 1.43 0.00 0.00 31.44 29.81 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jh4 s ALA 84 N 6.06 3.26 -0.14 -1.84 0.00 -1.26 -4.98 121.76 122.87 1jh4 s ALA 84 Ca 0.57 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 53.50 1jh4 s ALA 84 Cb 0.05 -3.45 -0.16 0.00 0.00 0.00 0.00 23.12 19.56 1jh4 s ALA 84 CO 0.08 -0.70 0.39 0.00 0.00 0.00 0.00 175.76 175.53 1jh4 h ALA 85 N 2.80 0.04 0.00 0.00 0.00 -2.02 -3.38 119.26 116.70 1jh4 h ALA 85 Ca -0.49 -0.49 -0.17 0.00 0.00 0.00 0.00 54.91 53.76 1jh4 h ALA 85 Cb 1.24 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1jh4 h ALA 85 CO 0.63 0.16 -0.83 1.96 0.00 0.00 0.00 179.25 181.17 1jh4 h GLN 86 N -1.00 0.00 -2.48 0.00 4.20 -2.03 -3.33 115.11 110.48 1jh4 h GLN 86 Ca -0.06 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.09 1jh4 h GLN 86 Cb 0.74 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.44 1jh4 h GLN 86 CO -0.04 0.83 1.86 1.63 -0.67 0.00 0.00 178.83 182.44 1jh4 n LYS 87 N -3.51 3.39 -0.84 1.46 5.02 -1.26 -4.92 118.16 117.50 1jh4 n LYS 87 Ca -0.00 -2.39 -0.04 0.00 -2.02 0.00 0.00 58.31 53.85 1jh4 n LYS 87 Cb 0.81 -2.45 0.02 0.00 -0.02 0.00 0.00 35.03 33.39 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jh4 n ALA 88 N 2.22 -0.03 -1.46 7.82 0.00 -1.25 -4.73 120.51 123.08 1jh4 n ALA 88 Ca 0.61 -0.34 -0.29 0.00 0.00 0.00 0.00 53.44 53.41 1jh4 n ALA 88 Cb 0.44 0.04 0.18 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.60 1.88 -0.08 0.00 1.01 -1.26 -4.90 120.40 116.44 1jh4 s VAL 89 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 1jh4 s VAL 89 Cb -0.01 -2.71 -0.17 0.00 0.00 0.00 0.00 36.38 33.50 1jh4 s VAL 89 CO 0.08 0.00 3.23 0.59 0.00 0.00 0.00 175.10 179.00 1jh4 n ASN 90 N -4.10 5.49 0.04 3.32 3.02 -1.26 -4.18 115.26 117.59 1jh4 n ASN 90 Ca 0.10 -2.61 -0.01 0.00 -0.03 0.00 0.00 54.58 52.04 1jh4 n ASN 90 Cb 0.59 -1.34 -0.08 0.00 -0.61 0.00 0.00 39.78 38.34 1jh4 n ASN 90 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1jh4 h SER 91 N 2.69 0.00 -1.98 6.41 0.87 -2.04 -3.48 113.55 116.03 1jh4 h SER 91 Ca 0.20 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.63 1jh4 h SER 91 Cb 1.31 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 63.33 1jh4 h SER 91 CO 0.32 0.61 0.01 0.00 -0.53 0.00 0.00 176.83 177.24 1jh4 n ALA 92 N -2.39 -1.33 -2.89 6.23 0.00 -1.26 -4.93 120.51 113.94 1jh4 n ALA 92 Ca -0.09 -0.54 -0.43 0.00 0.00 0.00 0.00 53.44 52.38 1jh4 n ALA 92 Cb 0.85 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 20.22 1jh4 n ALA 92 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jh4 s THR 93 N -1.58 4.43 0.00 0.00 -4.23 -1.26 -4.96 115.64 108.04 1jh4 s THR 93 Ca 0.23 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1jh4 s THR 93 Cb -0.03 -4.63 0.00 0.00 1.34 0.00 0.00 72.50 69.18 1jh4 s THR 93 CO 0.18 -1.37 0.00 0.61 -0.54 0.00 0.00 174.62 173.51 1jh4 n GLY 94 N 5.31 1.60 0.09 3.99 0.00 -1.26 -4.91 105.19 110.00 1jh4 n GLY 94 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1jh4 n GLY 94 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jh4 h VAL 95 N 0.00 0.51 -3.95 1.61 2.07 -2.02 -3.47 116.25 111.00 1jh4 h VAL 95 Ca 0.00 -1.63 -0.50 0.00 0.82 0.00 0.00 66.70 65.39 1jh4 h VAL 95 Cb 0.00 1.21 0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1jh4 h VAL 95 CO 0.00 0.17 0.48 -2.16 0.02 0.00 0.00 177.57 176.09 1jh4 s PRO 96 N -2.27 4.03 -0.23 1.57 0.04 -1.26 -4.99 135.00 131.89 1jh4 s PRO 96 Ca -0.21 1.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 1jh4 s PRO 96 Cb 0.04 -2.62 -0.10 0.00 0.04 0.00 0.00 34.50 31.86 1jh4 s PRO 96 CO 0.41 -0.32 -0.27 0.25 0.04 0.00 0.00 177.00 177.11 1jh4 n THR 97 N -0.02 1.51 0.21 1.26 -2.24 -1.26 -4.85 114.28 108.89 1jh4 n THR 97 Ca 0.05 -0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.74 1jh4 n THR 97 Cb 0.47 -2.10 0.02 0.00 -2.10 0.00 0.00 70.33 66.62 1jh4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02