#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 0.94 0.66 1.61 0.04 -1.26 -5.05 135.00 131.94 1jh4 s PRO 2 Ca 0.00 0.63 -0.09 0.00 0.04 0.00 0.00 61.00 61.59 1jh4 s PRO 2 Cb 0.00 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1jh4 s PRO 2 CO 0.00 -2.41 1.00 -0.51 0.04 0.00 0.00 177.00 175.12 1jh4 s LEU 3 N -6.28 3.04 -0.30 -3.56 1.02 -1.26 -4.88 118.68 106.45 1jh4 s LEU 3 Ca 0.64 0.89 -0.08 0.00 0.02 0.00 0.00 54.13 55.60 1jh4 s LEU 3 Cb -0.18 -3.68 0.01 0.00 0.02 0.00 0.00 46.19 42.36 1jh4 s LEU 3 CO 0.57 -1.25 0.10 -0.83 0.02 0.00 0.00 176.35 174.97 1jh4 s GLY 4 N -4.35 1.81 -0.12 -3.19 0.00 -1.26 -4.98 107.32 95.23 1jh4 s GLY 4 Ca 0.56 -1.45 -0.27 0.00 0.00 0.00 0.00 44.72 43.57 1jh4 s GLY 4 CO 0.48 0.67 0.79 1.76 0.00 0.00 0.00 173.10 176.80 1jh4 h SER 5 N 8.27 -0.00 -2.08 1.64 0.02 -1.98 -3.45 113.55 115.96 1jh4 h SER 5 Ca -0.31 -0.88 -0.61 0.00 -0.84 0.00 0.00 61.79 59.14 1jh4 h SER 5 Cb 1.13 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.70 1jh4 h SER 5 CO 0.61 0.91 0.98 -2.65 -1.14 0.00 0.00 176.83 175.53 1jh4 n PRO 6 N -4.65 2.11 -2.67 3.45 -0.02 -1.26 -4.93 135.00 127.02 1jh4 n PRO 6 Ca -0.09 0.77 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 1jh4 n PRO 6 Cb 0.43 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 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 2.93 4.44 -0.04 2.45 2.01 -1.26 -4.96 118.68 124.26 1jh4 s LEU 7 Ca 0.88 1.80 -0.04 0.00 0.01 0.00 0.00 54.13 56.78 1jh4 s LEU 7 Cb -0.71 -3.58 -0.28 0.00 0.01 0.00 0.00 46.19 41.63 1jh4 s LEU 7 CO 0.47 -0.18 0.68 0.71 1.01 0.00 0.00 176.35 179.04 1jh4 h THR 8 N 4.30 0.95 0.09 5.49 1.35 -1.97 -2.97 112.91 120.15 1jh4 h THR 8 Ca -0.42 -2.61 -0.00 0.00 -0.55 0.00 0.00 66.41 62.82 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 0.74 0.81 -0.05 0.00 -0.25 0.00 0.00 175.52 176.77 1jh4 h ALA 9 N 0.36 -1.01 -0.20 6.62 0.00 -2.01 -2.57 119.26 120.45 1jh4 h ALA 9 Ca -0.31 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1jh4 h ALA 9 Cb 2.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 1jh4 h ALA 9 CO 0.14 -1.00 0.20 0.77 0.00 0.00 0.00 179.25 179.37 1jh4 h SER 10 N -0.13 0.00 -0.54 0.00 0.02 -1.98 -1.41 113.55 109.50 1jh4 h SER 10 Ca -0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1jh4 h SER 10 Cb 0.10 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1jh4 h SER 10 CO 0.02 0.00 0.24 0.00 -1.14 0.00 0.00 176.83 175.95 1jh4 h MET 11 N 0.00 0.80 0.41 3.45 -0.00 -1.34 -0.55 114.93 117.70 1jh4 h MET 11 Ca 0.09 -0.13 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 1jh4 h MET 11 Cb 0.50 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 31.94 1jh4 h MET 11 CO -0.00 0.68 -0.37 1.25 -0.00 0.00 0.00 176.91 178.47 1jh4 h LEU 12 N 0.73 -0.99 0.00 -0.10 7.12 -0.85 -0.31 115.31 120.92 1jh4 h LEU 12 Ca 0.18 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1jh4 h LEU 12 Cb 0.16 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1jh4 h LEU 12 CO -0.02 -0.52 0.00 0.00 -0.13 0.00 0.00 178.44 177.77 1jh4 n ALA 13 N -2.66 2.09 -0.03 1.25 0.00 -1.14 -2.22 120.51 117.81 1jh4 n ALA 13 Ca -0.10 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1jh4 n ALA 13 Cb 0.38 -1.10 0.24 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.67 3.54 -4.08 0.00 2.88 -0.13 -4.94 113.62 110.22 1jh4 n SER 14 Ca 0.05 -1.97 -0.18 0.00 -1.33 0.00 0.00 58.87 55.43 1jh4 n SER 14 Cb 0.02 -0.34 -0.13 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 -1.20 0.88 0.73 -1.46 0.00 -0.94 -5.04 121.76 114.73 1jh4 s ALA 15 Ca 0.40 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 1jh4 s ALA 15 Cb 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1jh4 s ALA 15 CO 0.30 0.15 -0.35 -2.30 0.00 0.00 0.00 175.76 173.55 1jh4 n PRO 16 N 2.10 -0.41 0.00 0.00 -0.01 -1.26 -4.61 135.00 130.81 1jh4 n PRO 16 Ca -0.18 -0.12 0.00 0.00 -0.01 0.00 0.00 63.50 63.19 1jh4 n PRO 16 Cb 0.55 -1.10 0.00 0.00 -0.01 0.00 0.00 33.50 32.95 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 1.41 0.00 0.28 0.52 -0.02 -1.26 -2.06 135.00 133.86 1jh4 n PRO 17 Ca 0.00 0.38 0.17 0.00 -2.02 0.00 0.00 63.50 62.03 1jh4 n PRO 17 Cb 0.27 -1.09 0.91 0.00 -0.02 0.00 0.00 33.50 33.57 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 -1.59 -0.52 3.07 -2.02 -2.16 115.11 111.88 1jh4 h GLN 18 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.52 1jh4 h GLN 18 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 27.46 1jh4 h GLN 18 CO 0.00 0.00 0.28 0.39 0.09 0.00 0.00 178.83 179.59 1jh4 n GLU 19 N -2.74 1.54 0.00 0.06 1.02 -0.88 -4.51 120.64 115.14 1jh4 n GLU 19 Ca -0.02 -1.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 1jh4 n GLU 19 Cb 0.14 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 0.62 0.00 0.00 3.49 10.64 -0.82 -4.04 117.38 127.27 1jh4 n GLN 20 Ca 0.21 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.38 1jh4 n GLN 20 Cb 0.59 -0.51 0.00 0.00 -0.86 0.00 0.00 30.24 29.47 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 -0.26 0.97 0.32 2.61 4.76 -1.26 -4.23 118.16 121.07 1jh4 n LYS 21 Ca 0.00 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.31 1jh4 n LYS 21 Cb 0.00 -1.38 -0.06 0.00 -1.84 0.00 0.00 35.03 31.75 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 -0.79 0.00 1.97 1.08 -1.75 -3.05 115.11 112.58 1jh4 h GLN 22 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1jh4 h GLN 22 Cb 0.38 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1jh4 h GLN 22 CO 0.00 -0.53 0.00 -1.33 -0.95 0.00 0.00 178.83 176.02 1jh4 n MET 23 N -4.53 0.00 -0.17 1.46 2.81 -1.26 -3.38 117.12 112.05 1jh4 n MET 23 Ca -0.10 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.76 1jh4 n MET 23 Cb 0.33 -0.49 -0.02 0.00 -0.71 0.00 0.00 33.22 32.33 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 0.99 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.87 1jh4 n LEU 24 Ca 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 56.01 54.89 1jh4 n LEU 24 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 1jh4 n LEU 24 CO 0.00 -0.36 0.00 0.61 -0.00 0.00 0.00 177.39 177.64 1jh4 n GLY 25 N 3.27 0.54 0.00 1.47 0.00 -1.15 -4.07 105.19 105.24 1jh4 n GLY 25 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 5.99 0.00 -0.30 1.61 0.00 -1.26 -4.32 120.64 122.36 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 -0.36 0.00 0.00 0.00 0.00 0.00 31.44 31.09 1jh4 n GLU 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1jh4 n ARG 27 N -0.23 0.05 -0.05 3.44 5.12 -1.26 -4.90 116.66 118.84 1jh4 n ARG 27 Ca 0.00 -0.84 -0.13 0.00 -1.93 0.00 0.00 57.85 54.95 1jh4 n ARG 27 Cb 0.00 -0.52 -0.12 0.00 -1.16 0.00 0.00 32.46 30.66 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 -0.01 -0.80 0.55 3.38 -1.87 -3.22 115.31 113.34 1jh4 h LEU 28 Ca 0.00 -0.81 0.18 0.00 0.09 0.00 0.00 57.88 57.34 1jh4 h LEU 28 Cb 1.23 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.84 1jh4 h LEU 28 CO 0.00 0.83 -0.04 0.15 0.09 0.00 0.00 178.44 179.47 1jh4 h PHE 29 N -0.87 -0.14 -0.47 1.13 3.57 -1.80 0.55 116.94 118.91 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 0.82 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1jh4 h PHE 29 CO 0.22 -0.29 0.27 -1.35 -2.23 0.00 0.00 178.31 174.93 1jh4 h PRO 30 N 0.07 0.53 0.06 6.41 0.11 -1.88 1.32 132.00 138.62 1jh4 h PRO 30 Ca 0.43 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.51 1jh4 h PRO 30 Cb 0.77 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1jh4 h PRO 30 CO -0.74 0.35 -0.03 -0.07 -0.21 0.00 0.00 178.00 177.30 1jh4 h LEU 31 N 0.55 -0.07 -0.35 2.35 3.38 -0.81 -2.89 115.31 117.46 1jh4 h LEU 31 Ca 0.19 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1jh4 h LEU 31 Cb 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jh4 h LEU 31 CO -0.09 0.34 -0.11 -0.29 0.09 0.00 0.00 178.44 178.37 1jh4 h ILE 32 N -0.49 1.28 -0.93 1.22 -0.00 0.04 -2.60 117.51 116.02 1jh4 h ILE 32 Ca -0.01 -1.20 0.28 0.00 -0.00 0.00 0.00 64.86 63.93 1jh4 h ILE 32 Cb 0.43 1.32 -0.15 0.00 -0.00 0.00 0.00 36.82 38.42 1jh4 h ILE 32 CO 0.01 0.39 0.29 -0.61 -0.00 0.00 0.00 178.15 178.24 1jh4 h GLN 33 N 0.49 0.17 -0.72 2.19 -0.00 0.17 2.40 115.11 119.81 1jh4 h GLN 33 Ca 0.09 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.82 1jh4 h GLN 33 Cb 0.63 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 28.03 1jh4 h GLN 33 CO 0.04 0.11 0.47 0.00 0.00 0.00 0.00 178.83 179.45 1jh4 h ALA 34 N 1.85 1.84 0.00 3.38 0.00 -1.24 -3.23 119.26 121.86 1jh4 h ALA 34 Ca 0.63 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 55.09 1jh4 h ALA 34 Cb 1.36 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1jh4 h ALA 34 CO -0.70 0.02 -2.39 -1.33 0.00 0.00 0.00 179.25 174.84 1jh4 n MET 35 N -4.49 0.59 -3.56 0.00 2.81 0.45 -4.87 117.12 108.05 1jh4 n MET 35 Ca 0.12 0.29 -0.20 0.00 -1.81 0.00 0.00 57.70 56.10 1jh4 n MET 35 Cb 0.32 -1.52 0.06 0.00 -0.71 0.00 0.00 33.22 31.36 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 -4.22 -2.06 0.00 2.03 8.25 0.70 -4.49 115.22 115.43 1jh4 n HIS 36 Ca -0.52 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 57.81 1jh4 n HIS 36 Cb 0.87 -4.59 0.00 0.00 1.12 0.00 0.00 29.99 27.39 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 -4.13 0.00 -0.07 -0.41 -0.04 -1.26 -4.73 135.00 124.36 1jh4 n PRO 37 Ca -0.27 0.40 -0.06 0.00 -0.04 0.00 0.00 63.50 63.53 1jh4 n PRO 37 Cb 0.67 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 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 -1.70 1.24 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.66 1jh4 n THR 38 Ca 0.00 0.22 0.05 0.00 -2.27 0.00 0.00 64.05 62.05 1jh4 n THR 38 Cb 0.00 -2.23 -0.01 0.00 -2.10 0.00 0.00 70.33 65.98 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 -7.53 -0.77 0.22 3.22 1.43 -1.26 -5.05 118.68 108.94 1jh4 s LEU 39 Ca -0.20 0.49 -0.09 0.00 -1.03 0.00 0.00 54.13 53.30 1jh4 s LEU 39 Cb 0.03 1.65 0.34 0.00 0.03 0.00 0.00 46.19 48.24 1jh4 s LEU 39 CO 0.30 -0.14 1.68 0.00 0.23 0.00 0.00 176.35 178.41 1jh4 h ALA 40 N 8.00 0.72 0.28 4.21 0.00 -1.92 0.49 119.26 131.04 1jh4 h ALA 40 Ca -0.17 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jh4 h ALA 40 Cb 1.17 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jh4 h ALA 40 CO 0.02 -0.36 -0.17 0.78 0.00 0.00 0.00 179.25 179.53 1jh4 h GLY 41 N 0.19 -0.63 1.06 0.00 0.00 -1.97 -2.57 103.07 99.15 1jh4 h GLY 41 Ca 0.35 0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.87 1jh4 h GLY 41 CO -0.50 -0.22 0.20 0.50 0.00 0.00 0.00 176.54 176.52 1jh4 h LYS 42 N -0.41 1.16 -0.89 4.80 1.79 -1.97 -2.94 116.57 118.11 1jh4 h LYS 42 Ca -0.04 -0.27 0.14 0.00 -2.18 0.00 0.00 60.65 58.31 1jh4 h LYS 42 Cb 0.33 -0.16 -0.09 0.00 -1.58 0.00 0.00 32.23 30.73 1jh4 h LYS 42 CO 0.04 1.00 0.49 0.97 -1.08 0.00 0.00 179.45 180.87 1jh4 h ILE 43 N 1.11 0.77 -0.66 1.86 2.10 -0.07 -1.26 117.51 121.36 1jh4 h ILE 43 Ca 0.23 -0.24 0.11 0.00 1.08 0.00 0.00 64.86 66.04 1jh4 h ILE 43 Cb 0.34 -0.00 -0.08 0.00 -1.09 0.00 0.00 36.82 35.99 1jh4 h ILE 43 CO -0.00 0.13 0.24 0.74 -1.08 0.00 0.00 178.15 178.18 1jh4 h THR 44 N 0.71 0.71 -0.62 2.19 2.02 -1.27 0.65 112.91 117.31 1jh4 h THR 44 Ca 0.48 -0.14 0.08 0.00 0.77 0.00 0.00 66.41 67.60 1jh4 h THR 44 Cb 0.63 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1jh4 h THR 44 CO -0.34 0.07 0.41 1.23 0.37 0.00 0.00 175.52 177.27 1jh4 h GLY 45 N 0.40 0.69 0.35 2.16 0.00 -1.32 0.77 103.07 106.12 1jh4 h GLY 45 Ca 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1jh4 h GLY 45 CO -0.36 0.14 -0.17 -0.33 0.00 0.00 0.00 176.54 175.83 1jh4 h MET 46 N 0.52 -0.45 -0.01 4.80 2.07 -0.85 -3.17 114.93 117.84 1jh4 h MET 46 Ca 0.28 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.94 1jh4 h MET 46 Cb 0.41 0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1jh4 h MET 46 CO -0.08 -0.30 0.07 -0.07 1.07 0.00 0.00 176.91 177.60 1jh4 h LEU 47 N -0.89 0.00 -1.28 1.22 -0.00 -1.21 -2.91 115.31 110.24 1jh4 h LEU 47 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1jh4 h LEU 47 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1jh4 h LEU 47 CO 0.08 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.70 1jh4 n LEU 48 N -3.12 0.08 0.08 1.67 4.32 0.25 -3.16 117.00 117.13 1jh4 n LEU 48 Ca -0.03 -0.04 0.12 0.00 -0.02 0.00 0.00 56.01 56.04 1jh4 n LEU 48 Cb 0.14 -0.03 0.46 0.00 -1.62 0.00 0.00 43.42 42.37 1jh4 n LEU 48 CO 0.20 0.02 0.87 1.21 -1.22 0.00 0.00 177.39 178.46 1jh4 n GLU 49 N 0.61 0.16 -3.58 3.23 4.07 -1.10 -4.81 120.64 119.22 1jh4 n GLU 49 Ca 0.00 0.26 -0.23 0.00 -0.06 0.00 0.00 57.16 57.13 1jh4 n GLU 49 Cb 0.02 -1.74 -0.00 0.00 -0.06 0.00 0.00 31.44 29.65 1jh4 n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1jh4 s ILE 50 N -3.15 2.14 0.40 6.31 2.07 -1.19 -5.11 121.20 122.67 1jh4 s ILE 50 Ca 0.08 -1.33 -0.24 0.00 -1.41 0.00 0.00 60.65 57.75 1jh4 s ILE 50 Cb 0.12 -2.47 -0.09 0.00 0.13 0.00 0.00 42.46 40.15 1jh4 s ILE 50 CO 0.47 0.00 1.07 -0.62 -1.91 0.00 0.00 174.94 173.95 1jh4 s ASP 51 N -4.31 6.70 0.59 4.50 -1.08 -1.26 -4.90 116.67 116.92 1jh4 s ASP 51 Ca 0.45 2.09 0.29 0.00 -0.52 0.00 0.00 52.55 54.86 1jh4 s ASP 51 Cb -0.03 -2.59 1.28 0.00 -1.46 0.00 0.00 42.92 40.12 1jh4 s ASP 51 CO 0.27 -0.53 1.66 -1.13 0.52 0.00 0.00 175.17 175.96 1jh4 h ASN 52 N 2.51 0.00 0.67 -0.34 -0.73 -1.99 0.38 115.58 116.08 1jh4 h ASN 52 Ca -0.48 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 57.58 1jh4 h ASN 52 Cb 1.22 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.79 1jh4 h ASN 52 CO 0.62 0.00 -0.50 0.28 -0.37 0.00 0.00 177.43 177.46 1jh4 h SER 53 N 0.00 0.00 0.06 1.15 0.02 -2.01 -3.07 113.55 109.71 1jh4 h SER 53 Ca 0.36 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.08 1jh4 h SER 53 Cb 1.97 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.53 1jh4 h SER 53 CO -0.00 0.50 -0.92 -0.08 -1.14 0.00 0.00 176.83 175.19 1jh4 h GLU 54 N 0.00 0.51 -0.21 3.45 4.22 -0.60 -3.07 114.58 118.88 1jh4 h GLU 54 Ca -0.01 -0.63 0.00 0.00 0.08 0.00 0.00 59.36 58.80 1jh4 h GLU 54 Cb 0.98 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1jh4 h GLU 54 CO 0.07 1.25 0.14 -0.07 -2.18 0.00 0.00 179.01 178.22 1jh4 h LEU 55 N 0.05 0.24 -0.24 1.64 4.07 -1.58 -1.59 115.31 117.90 1jh4 h LEU 55 Ca -0.13 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.77 1jh4 h LEU 55 Cb 1.63 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.30 1jh4 h LEU 55 CO 0.18 0.18 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.62 1jh4 h LEU 56 N 0.29 0.45 -1.01 1.67 4.07 -1.56 -2.61 115.31 116.61 1jh4 h LEU 56 Ca 0.08 -0.34 0.07 0.00 0.08 0.00 0.00 57.88 57.77 1jh4 h LEU 56 Cb -0.03 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 41.52 1jh4 h LEU 56 CO -0.02 0.68 0.65 0.45 -1.08 0.00 0.00 178.44 179.12 1jh4 h HIS 57 N 0.21 1.20 -0.23 1.13 3.86 -1.22 -2.01 115.15 118.09 1jh4 h HIS 57 Ca 0.07 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1jh4 h HIS 57 Cb 0.47 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1jh4 h HIS 57 CO 0.04 0.61 0.14 0.52 0.86 0.00 0.00 177.93 180.11 1jh4 h MET 58 N 1.17 0.31 -0.00 2.45 2.86 -1.20 -1.18 114.93 119.34 1jh4 h MET 58 Ca 0.44 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1jh4 h MET 58 Cb 0.19 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1jh4 h MET 58 CO -0.18 0.24 0.00 1.25 1.06 0.00 0.00 176.91 179.29 1jh4 h LEU 59 N 0.29 0.00 0.00 1.22 6.46 -1.00 0.11 115.31 122.40 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 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1jh4 h LEU 59 CO -0.02 0.00 -0.84 -0.62 -0.62 0.00 0.00 178.44 176.34 1jh4 n GLU 60 N -3.31 0.12 -3.45 1.25 1.02 -0.62 -4.73 120.64 110.92 1jh4 n GLU 60 Ca -0.03 -0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.87 1jh4 n GLU 60 Cb 0.08 -1.54 -0.11 0.00 -0.02 0.00 0.00 31.44 29.84 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 -3.39 2.46 0.57 1.62 0.01 0.39 -5.00 113.70 110.37 1jh4 s SER 61 Ca 0.07 -1.44 0.29 0.00 1.31 0.00 0.00 55.95 56.19 1jh4 s SER 61 Cb 0.16 0.03 1.46 0.00 0.21 0.00 0.00 66.02 67.88 1jh4 s SER 61 CO 0.78 -0.36 1.88 -0.65 0.41 0.00 0.00 173.24 175.30 1jh4 h PRO 62 N 7.76 0.00 0.44 12.44 0.11 -1.84 -0.03 132.00 150.87 1jh4 h PRO 62 Ca -0.07 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1jh4 h PRO 62 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jh4 h PRO 62 CO 0.32 0.00 -0.26 0.93 -0.21 0.00 0.00 178.00 178.78 1jh4 h GLU 63 N 0.00 -0.63 -0.16 1.05 5.08 -1.94 0.26 114.58 118.23 1jh4 h GLU 63 Ca 0.29 0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.57 1jh4 h GLU 63 Cb 1.39 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1jh4 h GLU 63 CO -0.00 -0.42 -0.43 0.77 -1.00 0.00 0.00 179.01 177.93 1jh4 h SER 64 N -0.66 0.40 0.70 1.42 0.02 -1.81 -2.91 113.55 110.70 1jh4 h SER 64 Ca -0.06 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.69 1jh4 h SER 64 Cb 0.52 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1jh4 h SER 64 CO 0.06 0.78 -0.49 0.25 -1.14 0.00 0.00 176.83 176.29 1jh4 h LEU 65 N 0.31 -1.27 -2.11 5.07 7.12 -0.92 -2.12 115.31 121.40 1jh4 h LEU 65 Ca 0.02 0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.15 1jh4 h LEU 65 Cb 0.88 0.39 -0.01 0.00 -0.53 0.00 0.00 40.66 41.40 1jh4 h LEU 65 CO 0.07 -0.72 0.11 0.03 -0.13 0.00 0.00 178.44 177.80 1jh4 h ARG 66 N -1.13 0.00 -0.41 1.25 -0.00 -0.51 -1.76 114.38 111.82 1jh4 h ARG 66 Ca -0.09 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.43 1jh4 h ARG 66 Cb 0.92 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.85 1jh4 h ARG 66 CO 0.05 0.00 0.18 1.03 0.00 0.00 0.00 179.97 181.24 1jh4 h SER 67 N 0.00 0.24 0.01 7.04 0.87 -1.18 0.28 113.55 120.81 1jh4 h SER 67 Ca 0.06 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1jh4 h SER 67 Cb 0.28 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1jh4 h SER 67 CO -0.00 0.18 -0.00 0.11 -0.53 0.00 0.00 176.83 176.58 1jh4 h LYS 68 N 0.37 -0.01 -0.08 2.24 1.79 -1.00 -2.97 116.57 116.91 1jh4 h LYS 68 Ca 0.18 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.68 1jh4 h LYS 68 Cb 0.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1jh4 h LYS 68 CO -0.15 0.75 -0.08 0.28 -1.08 0.00 0.00 179.45 179.16 1jh4 h VAL 69 N -0.81 0.76 -0.11 0.50 2.07 -1.34 -1.42 116.25 115.90 1jh4 h VAL 69 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1jh4 h VAL 69 Cb 0.77 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1jh4 h VAL 69 CO 0.00 0.00 -0.26 -0.78 0.02 0.00 0.00 177.57 176.55 1jh4 h ASP 70 N -0.11 -0.80 -0.05 0.57 1.82 -0.57 -1.61 116.42 115.68 1jh4 h ASP 70 Ca 0.06 0.12 0.02 0.00 -0.39 0.00 0.00 57.03 56.85 1jh4 h ASP 70 Cb 0.20 0.35 -0.06 0.00 0.68 0.00 0.00 39.33 40.49 1jh4 h ASP 70 CO -0.14 -0.31 -0.54 -0.33 -1.61 0.00 0.00 179.24 176.30 1jh4 h GLU 71 N -0.34 -0.62 -0.88 0.28 4.39 -1.32 -1.41 114.58 114.68 1jh4 h GLU 71 Ca 0.09 0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.03 1jh4 h GLU 71 Cb 0.48 0.14 -0.11 0.00 -0.10 0.00 0.00 28.75 29.16 1jh4 h GLU 71 CO -0.30 -0.41 0.42 0.00 -1.16 0.00 0.00 179.01 177.55 1jh4 h ALA 72 N -0.38 1.39 -0.87 3.43 0.00 -0.99 0.57 119.26 122.41 1jh4 h ALA 72 Ca 0.02 0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.28 1jh4 h ALA 72 Cb 0.71 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1jh4 h ALA 72 CO -0.39 -0.24 0.60 0.28 0.00 0.00 0.00 179.25 179.50 1jh4 h VAL 73 N 0.49 0.63 0.32 0.00 2.07 -0.26 1.70 116.25 121.21 1jh4 h VAL 73 Ca 0.53 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.96 1jh4 h VAL 73 Cb 0.92 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1jh4 h VAL 73 CO -0.46 0.04 -0.15 0.00 0.02 0.00 0.00 177.57 177.01 1jh4 h ALA 74 N 1.60 -0.43 0.61 1.67 0.00 0.35 -2.76 119.26 120.30 1jh4 h ALA 74 Ca 0.44 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1jh4 h ALA 74 Cb 1.37 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.33 1jh4 h ALA 74 CO -0.10 -0.41 -0.29 0.28 0.00 0.00 0.00 179.25 178.73 1jh4 h VAL 75 N -1.10 0.24 0.01 0.00 2.07 -0.81 -2.77 116.25 113.88 1jh4 h VAL 75 Ca -0.04 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1jh4 h VAL 75 Cb 0.36 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1jh4 h VAL 75 CO 0.07 0.03 -0.31 0.25 0.02 0.00 0.00 177.57 177.64 1jh4 h LEU 76 N -1.07 -0.94 -1.89 2.57 6.46 0.23 1.13 115.31 121.80 1jh4 h LEU 76 Ca -0.08 0.10 0.25 0.00 -0.12 0.00 0.00 57.88 58.03 1jh4 h LEU 76 Cb 0.68 0.36 -0.03 0.00 -0.73 0.00 0.00 40.66 40.93 1jh4 h LEU 76 CO 0.14 -0.30 0.72 -0.61 -0.62 0.00 0.00 178.44 177.76 1jh4 h GLN 77 N -0.39 0.00 0.00 1.25 4.15 -1.54 0.93 115.11 119.51 1jh4 h GLN 77 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 1jh4 h GLN 77 Cb 0.41 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1jh4 h GLN 77 CO -0.20 0.00 -0.20 0.00 -1.93 0.00 0.00 178.83 176.50 1jh4 h ALA 78 N 1.37 0.04 -0.64 3.38 0.00 -0.71 -2.92 119.26 119.79 1jh4 h ALA 78 Ca 0.41 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1jh4 h ALA 78 Cb 1.83 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1jh4 h ALA 78 CO -0.00 0.12 0.10 0.45 0.00 0.00 0.00 179.25 179.91 1jh4 h HIS 79 N -1.00 1.12 -0.02 0.00 3.86 0.32 -2.69 115.15 116.73 1jh4 h HIS 79 Ca -0.05 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 58.90 1jh4 h HIS 79 Cb 0.94 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1jh4 h HIS 79 CO 0.22 0.94 -0.48 0.37 0.86 0.00 0.00 177.93 179.84 1jh4 h GLN 80 N 0.99 0.05 -2.67 2.45 4.15 0.63 -3.28 115.11 117.43 1jh4 h GLN 80 Ca 0.20 -0.03 -0.62 0.00 0.77 0.00 0.00 58.65 58.97 1jh4 h GLN 80 Cb 0.43 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 1jh4 h GLN 80 CO 0.01 0.52 2.60 0.00 -1.93 0.00 0.00 178.83 180.03 1jh4 n ALA 81 N -2.45 7.11 -0.10 3.38 0.00 -1.01 -4.60 120.51 122.83 1jh4 n ALA 81 Ca -0.02 -3.44 -0.11 0.00 0.00 0.00 0.00 53.44 49.87 1jh4 n ALA 81 Cb 0.51 -2.96 -0.04 0.00 0.00 0.00 0.00 19.45 16.96 1jh4 n ALA 81 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1jh4 h LYS 82 N 4.46 0.55 -4.69 0.00 3.11 -1.73 -3.34 116.57 114.93 1jh4 h LYS 82 Ca 0.70 -0.21 -0.62 0.00 -2.81 0.00 0.00 60.65 57.71 1jh4 h LYS 82 Cb 0.48 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.67 1jh4 h LYS 82 CO 1.42 0.74 2.33 -0.85 -2.81 0.00 0.00 179.45 180.28 1jh4 n GLU 83 N -4.51 2.14 -0.38 1.90 0.28 -1.26 -4.93 120.64 113.88 1jh4 n GLU 83 Ca -0.03 -2.37 -0.17 0.00 -0.16 0.00 0.00 57.16 54.44 1jh4 n GLU 83 Cb 0.31 -3.24 0.15 0.00 1.43 0.00 0.00 31.44 30.08 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jh4 n ALA 84 N 8.36 -2.32 -1.93 -1.84 0.00 -1.25 -5.04 120.51 116.49 1jh4 n ALA 84 Ca 0.49 -0.88 -0.29 0.00 0.00 0.00 0.00 53.44 52.76 1jh4 n ALA 84 Cb 0.42 -0.07 0.17 0.00 0.00 0.00 0.00 19.45 19.97 1jh4 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jh4 s ALA 85 N -2.61 2.35 -0.75 0.00 0.00 -1.26 -4.98 121.76 114.52 1jh4 s ALA 85 Ca 0.38 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 50.97 1jh4 s ALA 85 Cb -0.05 -2.78 0.05 0.00 0.00 0.00 0.00 23.12 20.34 1jh4 s ALA 85 CO 0.30 -2.28 1.16 -0.65 0.00 0.00 0.00 175.76 174.29 1jh4 s GLN 86 N -5.82 3.22 0.01 0.00 -0.21 -1.26 -4.84 119.66 110.77 1jh4 s GLN 86 Ca 0.72 -0.66 0.29 0.00 0.02 0.00 0.00 55.36 55.73 1jh4 s GLN 86 Cb -0.05 -4.35 1.21 0.00 1.00 0.00 0.00 33.01 30.82 1jh4 s GLN 86 CO 0.52 -2.00 1.91 1.63 -2.12 0.00 0.00 175.29 175.24 1jh4 n LYS 87 N 8.48 0.01 -1.18 2.91 5.02 -1.26 -4.86 118.16 127.28 1jh4 n LYS 87 Ca 0.04 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 1jh4 n LYS 87 Cb 0.48 -1.51 0.23 0.00 -0.02 0.00 0.00 35.03 34.21 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jh4 s ALA 88 N -3.00 0.81 -0.20 7.82 0.00 -1.26 -5.03 121.76 120.89 1jh4 s ALA 88 Ca 0.14 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.05 1jh4 s ALA 88 Cb 0.19 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1jh4 s ALA 88 CO 0.53 -3.44 0.09 0.08 0.00 0.00 0.00 175.76 173.02 1jh4 s VAL 89 N -3.11 4.97 -0.47 0.00 1.01 -1.26 -4.99 120.40 116.54 1jh4 s VAL 89 Ca 0.71 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.66 1jh4 s VAL 89 Cb -0.09 -3.26 -0.13 0.00 0.00 0.00 0.00 36.38 32.90 1jh4 s VAL 89 CO 0.56 0.43 3.22 0.59 0.00 0.00 0.00 175.10 179.90 1jh4 n ASN 90 N 3.72 6.32 -0.11 3.32 4.13 -1.26 -4.24 115.26 127.14 1jh4 n ASN 90 Ca -0.16 -2.72 -0.19 0.00 1.68 0.00 0.00 54.58 53.19 1jh4 n ASN 90 Cb 0.52 -1.39 -0.06 0.00 -1.54 0.00 0.00 39.78 37.31 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 2.21 1.86 -4.51 6.41 7.64 -1.26 -4.88 113.62 121.09 1jh4 n SER 91 Ca 0.52 0.32 -0.43 0.00 1.01 0.00 0.00 58.87 60.28 1jh4 n SER 91 Cb 0.67 -0.74 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 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 -2.66 3.26 -0.10 -0.43 0.00 -1.26 -4.84 121.76 115.73 1jh4 s ALA 92 Ca -0.32 -1.28 0.15 0.00 0.00 0.00 0.00 51.96 50.51 1jh4 s ALA 92 Cb 0.09 -3.55 -0.22 0.00 0.00 0.00 0.00 23.12 19.45 1jh4 s ALA 92 CO 0.43 -2.13 0.18 0.25 0.00 0.00 0.00 175.76 174.49 1jh4 n THR 93 N 6.03 0.64 -2.86 0.00 -2.24 -1.26 -4.91 114.28 109.67 1jh4 n THR 93 Ca -0.00 -0.54 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 1jh4 n THR 93 Cb 0.47 -0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 1jh4 n THR 93 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jh4 s GLY 94 N -4.50 1.60 0.34 3.38 0.00 -1.26 -5.04 107.32 101.84 1jh4 s GLY 94 Ca -0.07 -0.53 -0.08 0.00 0.00 0.00 0.00 44.72 44.04 1jh4 s GLY 94 CO 0.65 1.92 0.65 -1.34 0.00 0.00 0.00 173.10 174.98 1jh4 s VAL 95 N 3.34 4.90 -0.89 1.40 -7.23 -1.26 -4.98 120.40 115.68 1jh4 s VAL 95 Ca 0.36 0.36 -0.25 0.00 -1.81 0.00 0.00 61.98 60.64 1jh4 s VAL 95 Cb -0.12 -3.72 -0.06 0.00 0.56 0.00 0.00 36.38 33.04 1jh4 s VAL 95 CO 0.18 -0.39 2.00 -2.16 -0.31 0.00 0.00 175.10 174.43 1jh4 s PRO 96 N -3.61 2.44 -0.16 4.82 0.04 -1.26 -4.82 135.00 132.45 1jh4 s PRO 96 Ca 0.48 -0.20 -0.02 0.00 0.04 0.00 0.00 61.00 61.30 1jh4 s PRO 96 Cb -0.11 -5.03 0.01 0.00 0.04 0.00 0.00 34.50 29.41 1jh4 s PRO 96 CO 0.29 -3.51 2.50 0.25 0.04 0.00 0.00 177.00 176.57 1jh4 n THR 97 N 7.99 2.65 -0.74 1.26 -2.24 -1.26 -5.34 114.28 116.60 1jh4 n THR 97 Ca 0.41 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1jh4 n THR 97 Cb 0.46 -1.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 1jh4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02