#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 -0.18 0.93 1.61 0.04 -1.26 -5.04 135.00 131.11 1jh4 s PRO 2 Ca 0.00 0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.14 1jh4 s PRO 2 Cb 0.00 -1.69 0.15 0.00 0.04 0.00 0.00 34.50 33.00 1jh4 s PRO 2 CO 0.00 -3.08 1.11 -0.51 0.04 0.00 0.00 177.00 174.56 1jh4 s LEU 3 N -6.60 1.93 0.00 -3.56 1.43 -1.26 -5.06 118.68 105.56 1jh4 s LEU 3 Ca 0.68 1.14 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 1jh4 s LEU 3 Cb -0.14 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1jh4 s LEU 3 CO 0.56 -2.73 0.00 0.61 0.23 0.00 0.00 176.35 175.02 1jh4 n GLY 4 N -1.65 -1.32 3.72 -3.19 0.00 -1.26 -4.98 105.19 96.52 1jh4 n GLY 4 Ca 0.06 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1jh4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jh4 s SER 5 N -1.15 6.93 -0.33 1.61 0.01 -1.26 -4.90 113.70 114.60 1jh4 s SER 5 Ca 0.00 2.24 -0.35 0.00 1.31 0.00 0.00 55.95 59.15 1jh4 s SER 5 Cb 0.00 -2.59 -0.11 0.00 0.21 0.00 0.00 66.02 63.53 1jh4 s SER 5 CO 0.00 -0.56 2.17 -2.65 0.41 0.00 0.00 173.24 172.61 1jh4 n PRO 6 N 3.63 1.15 -4.04 12.44 -0.02 -1.26 -4.94 135.00 141.96 1jh4 n PRO 6 Ca 0.09 0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 61.53 1jh4 n PRO 6 Cb 0.44 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.34 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 7.19 4.05 -0.03 2.45 2.01 -1.26 -5.01 118.68 128.08 1jh4 s LEU 7 Ca 1.08 0.30 -0.03 0.00 0.01 0.00 0.00 54.13 55.49 1jh4 s LEU 7 Cb -0.83 -1.98 -0.27 0.00 0.01 0.00 0.00 46.19 43.12 1jh4 s LEU 7 CO 0.49 0.35 0.72 0.71 1.01 0.00 0.00 176.35 179.63 1jh4 h THR 8 N 4.21 0.99 0.05 5.49 1.35 -1.98 -2.92 112.91 120.10 1jh4 h THR 8 Ca -0.50 -2.66 -0.00 0.00 -0.55 0.00 0.00 66.41 62.69 1jh4 h THR 8 Cb 1.20 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1jh4 h THR 8 CO 0.60 0.80 -0.02 0.00 -0.25 0.00 0.00 175.52 176.64 1jh4 h ALA 9 N 0.43 -1.00 -0.12 6.62 0.00 -2.01 -2.54 119.26 120.65 1jh4 h ALA 9 Ca -0.29 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1jh4 h ALA 9 Cb 2.03 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 1jh4 h ALA 9 CO 0.14 -0.99 0.18 0.77 0.00 0.00 0.00 179.25 179.35 1jh4 h SER 10 N -0.07 0.00 -0.76 0.00 0.02 -1.97 -0.33 113.55 110.45 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 0.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1jh4 h SER 10 CO 0.01 0.00 0.31 -0.03 -1.14 0.00 0.00 176.83 175.98 1jh4 h MET 11 N 0.00 1.13 0.55 3.45 1.85 -1.30 -0.23 114.93 120.39 1jh4 h MET 11 Ca 0.06 -0.20 -0.03 0.00 -0.61 0.00 0.00 59.70 58.92 1jh4 h MET 11 Cb 0.41 -0.18 0.01 0.00 0.43 0.00 0.00 31.60 32.26 1jh4 h MET 11 CO -0.00 0.92 -0.26 1.25 -0.40 0.00 0.00 176.91 178.41 1jh4 h LEU 12 N 1.09 -0.63 -0.12 3.39 7.12 -0.64 -2.41 115.31 123.12 1jh4 h LEU 12 Ca 0.25 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.22 1jh4 h LEU 12 Cb 0.21 0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1jh4 h LEU 12 CO -0.02 -0.33 0.00 0.00 -0.13 0.00 0.00 178.44 177.96 1jh4 n ALA 13 N -2.52 1.99 0.00 1.25 0.00 -1.13 -2.38 120.51 117.72 1jh4 n ALA 13 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1jh4 n ALA 13 Cb 0.33 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 1jh4 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jh4 h SER 14 N 0.06 0.23 -2.14 0.00 0.87 -0.50 -3.41 113.55 108.66 1jh4 h SER 14 Ca 0.00 -0.46 -0.55 0.00 -1.23 0.00 0.00 61.79 59.55 1jh4 h SER 14 Cb 0.03 -0.07 -0.41 0.00 -0.44 0.00 0.00 62.40 61.51 1jh4 h SER 14 CO 0.00 1.41 -0.87 0.00 -0.53 0.00 0.00 176.83 176.84 1jh4 n ALA 15 N -2.74 3.41 -0.31 6.23 0.00 -1.00 -4.98 120.51 121.12 1jh4 n ALA 15 Ca -0.22 -4.12 0.02 0.00 0.00 0.00 0.00 53.44 49.12 1jh4 n ALA 15 Cb 1.05 -0.83 0.09 0.00 0.00 0.00 0.00 19.45 19.76 1jh4 n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jh4 h PRO 16 N 3.39 -0.02 0.00 0.00 0.10 -1.80 -2.56 132.00 131.11 1jh4 h PRO 16 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.23 1jh4 h PRO 16 Cb 0.73 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.83 1jh4 h PRO 16 CO 0.67 -0.01 0.00 -2.30 0.10 0.00 0.00 178.00 176.46 1jh4 n PRO 17 N -5.54 1.93 0.21 1.05 -0.02 -1.26 -4.31 135.00 127.07 1jh4 n PRO 17 Ca 0.12 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.69 1jh4 n PRO 17 Cb 0.43 0.00 0.50 0.00 -0.02 0.00 0.00 33.50 34.41 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 -1.47 -0.52 -0.00 -2.04 -1.30 115.11 109.78 1jh4 h GLN 18 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.50 1jh4 h GLN 18 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 27.41 1jh4 h GLN 18 CO 0.00 0.00 0.19 0.39 -0.00 0.00 0.00 178.83 179.41 1jh4 n GLU 19 N -2.31 1.37 0.00 0.06 4.71 -1.25 -4.49 120.64 118.74 1jh4 n GLU 19 Ca -0.01 -0.77 0.00 0.00 -0.01 0.00 0.00 57.16 56.37 1jh4 n GLU 19 Cb 0.33 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1jh4 n GLU 19 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jh4 n GLN 20 N 0.60 0.00 0.00 3.49 10.64 -0.49 -4.08 117.38 127.54 1jh4 n GLN 20 Ca 0.15 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.32 1jh4 n GLN 20 Cb 0.63 -0.42 0.00 0.00 -0.86 0.00 0.00 30.24 29.60 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 -0.16 0.97 0.16 2.61 4.76 -1.26 -4.28 118.16 120.95 1jh4 n LYS 21 Ca 0.00 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.38 1jh4 n LYS 21 Cb 0.00 -1.29 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 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 -0.39 0.00 1.97 4.20 -1.75 -3.08 115.11 116.07 1jh4 h GLN 22 Ca 0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1jh4 h GLN 22 Cb 0.29 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1jh4 h GLN 22 CO 0.00 -0.26 0.00 -1.33 -0.67 0.00 0.00 178.83 176.57 1jh4 n MET 23 N -3.26 0.00 -0.14 1.46 2.81 -1.26 -3.13 117.12 113.60 1jh4 n MET 23 Ca -0.05 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.82 1jh4 n MET 23 Cb 0.16 -0.51 -0.02 0.00 -0.71 0.00 0.00 33.22 32.14 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 0.74 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.61 1jh4 n LEU 24 Ca 0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 56.01 55.09 1jh4 n LEU 24 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1jh4 n LEU 24 CO 0.00 -0.29 0.00 0.61 -0.00 0.00 0.00 177.39 177.71 1jh4 n GLY 25 N 3.06 0.59 0.00 1.47 0.00 -1.16 -4.14 105.19 105.01 1jh4 n GLY 25 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 5.35 0.00 -0.17 1.61 0.00 -1.26 -4.32 120.64 121.85 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 -0.37 0.00 0.00 0.00 0.00 0.00 31.44 31.07 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 0.00 -0.00 3.44 5.12 -1.26 -4.90 116.66 118.83 1jh4 n ARG 27 Ca 0.00 -0.64 -0.17 0.00 -1.93 0.00 0.00 57.85 55.11 1jh4 n ARG 27 Cb 0.00 -0.48 -0.13 0.00 -1.16 0.00 0.00 32.46 30.69 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 0.31 -0.76 0.55 3.38 -1.90 -3.25 115.31 113.65 1jh4 h LEU 28 Ca 0.00 -0.88 0.17 0.00 0.09 0.00 0.00 57.88 57.26 1jh4 h LEU 28 Cb 1.13 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.66 1jh4 h LEU 28 CO 0.00 1.17 0.15 0.15 0.09 0.00 0.00 178.44 180.00 1jh4 h PHE 29 N -0.49 0.22 -0.36 1.13 3.57 -1.81 0.77 116.94 119.97 1jh4 h PHE 29 Ca -0.07 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1jh4 h PHE 29 Cb 1.28 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 1jh4 h PHE 29 CO 0.20 -0.14 0.24 -1.35 -2.23 0.00 0.00 178.31 175.03 1jh4 h PRO 30 N 0.22 0.47 -0.05 6.41 0.11 -1.87 1.07 132.00 138.36 1jh4 h PRO 30 Ca 0.43 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 1jh4 h PRO 30 Cb 0.77 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 1jh4 h PRO 30 CO -0.56 0.31 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.39 1jh4 h LEU 31 N 0.48 0.16 -0.49 2.35 3.38 -1.11 -3.01 115.31 117.07 1jh4 h LEU 31 Ca 0.13 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1jh4 h LEU 31 Cb -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1jh4 h LEU 31 CO -0.03 0.65 -0.07 -0.29 0.09 0.00 0.00 178.44 178.79 1jh4 h ILE 32 N -0.33 1.27 -0.94 1.22 -0.00 0.52 -2.30 117.51 116.95 1jh4 h ILE 32 Ca 0.01 -1.19 0.28 0.00 -0.00 0.00 0.00 64.86 63.96 1jh4 h ILE 32 Cb 0.61 1.04 -0.15 0.00 -0.00 0.00 0.00 36.82 38.32 1jh4 h ILE 32 CO 0.02 0.41 0.36 1.56 -0.00 0.00 0.00 178.15 180.50 1jh4 h GLN 33 N 0.77 0.22 -0.68 2.19 1.08 0.12 2.30 115.11 121.10 1jh4 h GLN 33 Ca 0.13 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.39 1jh4 h GLN 33 Cb 0.61 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 1jh4 h GLN 33 CO 0.04 0.15 0.45 0.00 -0.95 0.00 0.00 178.83 178.51 1jh4 h ALA 34 N 1.83 1.78 0.00 3.87 0.00 -1.27 -3.23 119.26 122.25 1jh4 h ALA 34 Ca 0.64 -0.02 -0.42 0.00 0.00 0.00 0.00 54.91 55.11 1jh4 h ALA 34 Cb 1.39 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1jh4 h ALA 34 CO -0.66 0.10 -2.29 -1.33 0.00 0.00 0.00 179.25 175.06 1jh4 n MET 35 N -4.48 0.58 -3.57 0.00 2.81 0.35 -5.03 117.12 107.78 1jh4 n MET 35 Ca 0.10 0.32 -0.20 0.00 -1.81 0.00 0.00 57.70 56.11 1jh4 n MET 35 Cb 0.26 -1.54 0.06 0.00 -0.71 0.00 0.00 33.22 31.29 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 -4.29 -2.05 0.00 2.03 8.25 0.69 -4.96 115.22 114.89 1jh4 n HIS 36 Ca -0.50 0.87 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1jh4 n HIS 36 Cb 0.84 -4.62 0.00 0.00 1.12 0.00 0.00 29.99 27.33 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 -4.16 0.00 -0.08 -0.41 -0.04 -1.26 -4.71 135.00 124.34 1jh4 n PRO 37 Ca -0.28 0.39 -0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1jh4 n PRO 37 Cb 0.67 -1.26 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.68 1.41 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.85 1jh4 n THR 38 Ca 0.00 0.19 0.05 0.00 -2.27 0.00 0.00 64.05 62.02 1jh4 n THR 38 Cb 0.00 -2.34 -0.01 0.00 -2.10 0.00 0.00 70.33 65.88 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 -7.93 -0.69 0.20 3.22 1.43 -1.26 -5.04 118.68 108.61 1jh4 s LEU 39 Ca -0.22 0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 53.09 1jh4 s LEU 39 Cb 0.03 1.54 0.22 0.00 0.03 0.00 0.00 46.19 48.01 1jh4 s LEU 39 CO 0.32 -0.13 1.66 0.00 0.23 0.00 0.00 176.35 178.43 1jh4 h ALA 40 N 7.88 0.46 0.15 4.21 0.00 -1.91 0.82 119.26 130.87 1jh4 h ALA 40 Ca -0.14 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jh4 h ALA 40 Cb 1.17 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1jh4 h ALA 40 CO -0.02 -0.41 -0.15 0.78 0.00 0.00 0.00 179.25 179.45 1jh4 h GLY 41 N 0.06 -0.86 1.15 0.00 0.00 -1.97 -2.46 103.07 99.00 1jh4 h GLY 41 Ca 0.28 0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.90 1jh4 h GLY 41 CO -0.51 -0.29 0.05 0.50 0.00 0.00 0.00 176.54 176.29 1jh4 h LYS 42 N -0.30 1.03 -0.88 4.80 1.79 -1.96 -3.02 116.57 118.03 1jh4 h LYS 42 Ca -0.02 -0.29 0.14 0.00 -2.18 0.00 0.00 60.65 58.31 1jh4 h LYS 42 Cb 0.26 -0.11 -0.09 0.00 -1.58 0.00 0.00 32.23 30.70 1jh4 h LYS 42 CO -0.02 0.97 0.48 0.97 -1.08 0.00 0.00 179.45 180.77 1jh4 h ILE 43 N 0.95 0.76 -0.78 1.86 2.10 0.66 -0.70 117.51 122.36 1jh4 h ILE 43 Ca 0.18 -0.24 0.13 0.00 1.08 0.00 0.00 64.86 66.01 1jh4 h ILE 43 Cb 0.48 0.01 -0.09 0.00 -1.09 0.00 0.00 36.82 36.13 1jh4 h ILE 43 CO 0.02 0.13 0.38 0.74 -1.08 0.00 0.00 178.15 178.33 1jh4 h THR 44 N 0.69 0.75 -0.75 2.19 2.02 -1.30 -0.73 112.91 115.78 1jh4 h THR 44 Ca 0.47 -0.20 0.06 0.00 0.77 0.00 0.00 66.41 67.52 1jh4 h THR 44 Cb 0.63 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1jh4 h THR 44 CO -0.34 0.10 0.50 1.23 0.37 0.00 0.00 175.52 177.38 1jh4 h GLY 45 N 0.58 1.02 0.22 2.16 0.00 -1.22 0.36 103.07 106.18 1jh4 h GLY 45 Ca 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1jh4 h GLY 45 CO -0.34 0.25 -0.06 -0.33 0.00 0.00 0.00 176.54 176.05 1jh4 h MET 46 N 0.81 -0.17 -0.02 4.80 2.07 -1.14 -3.21 114.93 118.07 1jh4 h MET 46 Ca 0.32 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.97 1jh4 h MET 46 Cb 0.23 0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 29.99 1jh4 h MET 46 CO -0.11 0.19 0.09 -0.07 1.07 0.00 0.00 176.91 178.08 1jh4 h LEU 47 N -0.96 0.00 -1.44 1.22 -0.00 -1.17 -2.96 115.31 110.00 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 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1jh4 h LEU 47 CO 0.03 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.65 1jh4 n LEU 48 N -3.22 0.08 0.04 1.67 4.32 0.11 -3.39 117.00 116.60 1jh4 n LEU 48 Ca -0.02 -0.04 0.11 0.00 -0.02 0.00 0.00 56.01 56.03 1jh4 n LEU 48 Cb 0.16 -0.02 0.44 0.00 -1.62 0.00 0.00 43.42 42.38 1jh4 n LEU 48 CO 0.21 0.02 0.84 1.21 -1.22 0.00 0.00 177.39 178.44 1jh4 n GLU 49 N 0.70 0.08 -3.76 3.23 2.13 -1.12 -4.80 120.64 117.09 1jh4 n GLU 49 Ca 0.00 0.22 -0.22 0.00 0.66 0.00 0.00 57.16 57.82 1jh4 n GLU 49 Cb 0.02 -1.62 -0.04 0.00 0.27 0.00 0.00 31.44 30.06 1jh4 n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1jh4 s ILE 50 N -3.08 2.47 0.53 6.31 1.10 -1.22 -5.12 121.20 122.18 1jh4 s ILE 50 Ca 0.09 -1.46 -0.19 0.00 -0.51 0.00 0.00 60.65 58.58 1jh4 s ILE 50 Cb 0.12 -2.93 -0.06 0.00 0.15 0.00 0.00 42.46 39.74 1jh4 s ILE 50 CO 0.40 0.00 1.06 -0.62 -2.11 0.00 0.00 174.94 173.67 1jh4 s ASP 51 N -4.08 6.06 0.57 4.50 -1.08 -1.26 -4.91 116.67 116.48 1jh4 s ASP 51 Ca 0.45 1.92 0.32 0.00 -0.52 0.00 0.00 52.55 54.72 1jh4 s ASP 51 Cb -0.01 -2.55 1.42 0.00 -1.46 0.00 0.00 42.92 40.32 1jh4 s ASP 51 CO 0.26 -0.98 1.76 -1.13 0.52 0.00 0.00 175.17 175.60 1jh4 h ASN 52 N 1.12 0.00 0.64 -0.34 -0.73 -2.00 0.17 115.58 114.44 1jh4 h ASN 52 Ca -0.49 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 57.61 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 -0.34 -1.28 -0.37 0.00 0.00 177.43 176.02 1jh4 h SER 53 N 0.00 0.00 0.00 1.15 0.87 -2.01 -3.12 113.55 110.45 1jh4 h SER 53 Ca 0.41 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.71 1jh4 h SER 53 Cb 1.92 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.90 1jh4 h SER 53 CO -0.00 0.34 -0.99 -0.08 -0.53 0.00 0.00 176.83 175.56 1jh4 h GLU 54 N 0.00 0.70 -0.39 2.24 4.57 -1.01 -3.10 114.58 117.59 1jh4 h GLU 54 Ca -0.00 -0.72 -0.01 0.00 -1.18 0.00 0.00 59.36 57.44 1jh4 h GLU 54 Cb 0.76 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.52 1jh4 h GLU 54 CO 0.04 1.30 0.18 -0.07 -1.18 0.00 0.00 179.01 179.29 1jh4 h LEU 55 N 0.41 0.48 -0.83 1.64 4.07 -1.58 -1.41 115.31 118.10 1jh4 h LEU 55 Ca -0.11 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.71 1jh4 h LEU 55 Cb 1.64 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 43.24 1jh4 h LEU 55 CO 0.20 0.42 -0.21 -0.07 -1.08 0.00 0.00 178.44 177.70 1jh4 h LEU 56 N 0.55 0.65 -0.63 1.67 3.38 -1.55 -0.61 115.31 118.77 1jh4 h LEU 56 Ca 0.14 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 1jh4 h LEU 56 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1jh4 h LEU 56 CO -0.02 0.86 0.08 -0.74 0.09 0.00 0.00 178.44 178.71 1jh4 h HIS 57 N 0.58 1.13 -0.10 1.13 2.76 -1.20 -2.77 115.15 116.68 1jh4 h HIS 57 Ca 0.09 -0.17 -0.20 0.00 -2.20 0.00 0.00 60.37 57.89 1jh4 h HIS 57 Cb 0.67 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1jh4 h HIS 57 CO 0.03 0.97 -0.76 0.52 -1.30 0.00 0.00 177.93 177.39 1jh4 h MET 58 N 0.97 0.54 -0.05 5.26 2.86 -1.21 -2.41 114.93 120.89 1jh4 h MET 58 Ca 0.19 -0.45 -0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1jh4 h MET 58 Cb 0.46 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1jh4 h MET 58 CO 0.02 1.08 0.02 1.25 1.06 0.00 0.00 176.91 180.34 1jh4 h LEU 59 N 0.37 0.06 -1.49 1.22 6.46 -0.96 0.21 115.31 121.17 1jh4 h LEU 59 Ca -0.04 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1jh4 h LEU 59 Cb 1.36 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 1jh4 h LEU 59 CO 0.14 0.06 -0.12 -1.84 -0.62 0.00 0.00 178.44 176.05 1jh4 n GLU 60 N -4.52 1.89 -3.43 1.25 0.28 -1.06 -4.71 120.64 110.35 1jh4 n GLU 60 Ca -0.02 -1.49 -0.24 0.00 -0.16 0.00 0.00 57.16 55.24 1jh4 n GLU 60 Cb 0.10 -1.47 -0.10 0.00 1.43 0.00 0.00 31.44 31.39 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 -2.14 2.29 0.55 -1.84 0.01 0.06 -5.00 113.70 107.63 1jh4 s SER 61 Ca 0.27 -1.88 0.31 0.00 1.31 0.00 0.00 55.95 55.97 1jh4 s SER 61 Cb 0.20 -0.01 1.47 0.00 0.21 0.00 0.00 66.02 67.89 1jh4 s SER 61 CO 0.38 -0.30 1.86 -0.65 0.41 0.00 0.00 173.24 174.94 1jh4 h PRO 62 N 7.13 0.00 0.24 12.44 0.11 -1.83 -1.86 132.00 148.23 1jh4 h PRO 62 Ca 0.04 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.16 1jh4 h PRO 62 Cb 1.01 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1jh4 h PRO 62 CO 0.25 0.00 -0.45 1.05 -0.21 0.00 0.00 178.00 178.64 1jh4 h GLU 63 N 0.00 -0.74 -0.00 1.05 -0.00 -1.95 0.49 114.58 113.43 1jh4 h GLU 63 Ca 0.39 0.05 -0.17 0.00 -0.00 0.00 0.00 59.36 59.63 1jh4 h GLU 63 Cb 1.69 0.17 -0.02 0.00 -0.00 0.00 0.00 28.75 30.59 1jh4 h GLU 63 CO -0.00 -0.49 -0.80 1.03 -0.00 0.00 0.00 179.01 178.75 1jh4 h SER 64 N -0.76 0.13 0.53 3.06 0.87 -1.76 -3.11 113.55 112.50 1jh4 h SER 64 Ca -0.01 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1jh4 h SER 64 Cb 0.74 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1jh4 h SER 64 CO -0.19 0.87 -0.37 0.25 -0.53 0.00 0.00 176.83 176.86 1jh4 h LEU 65 N 0.06 -0.97 -1.87 2.23 7.12 -1.00 -2.19 115.31 118.70 1jh4 h LEU 65 Ca -0.02 0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.14 1jh4 h LEU 65 Cb 1.40 0.29 -0.02 0.00 -0.53 0.00 0.00 40.66 41.80 1jh4 h LEU 65 CO 0.11 -0.55 0.29 0.03 -0.13 0.00 0.00 178.44 178.20 1jh4 h ARG 66 N -0.86 0.15 -0.60 1.25 2.47 -1.02 -1.54 114.38 114.24 1jh4 h ARG 66 Ca -0.07 -0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.73 1jh4 h ARG 66 Cb 0.70 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.92 1jh4 h ARG 66 CO 0.04 0.10 0.22 1.03 0.56 0.00 0.00 179.97 181.92 1jh4 h SER 67 N 0.16 0.22 0.01 7.04 0.87 -1.33 0.13 113.55 120.65 1jh4 h SER 67 Ca 0.20 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1jh4 h SER 67 Cb 0.58 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1jh4 h SER 67 CO -0.03 0.14 -0.09 0.11 -0.53 0.00 0.00 176.83 176.43 1jh4 h LYS 68 N 0.41 0.04 0.09 2.24 1.57 -0.89 -3.16 116.57 116.87 1jh4 h LYS 68 Ca 0.30 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1jh4 h LYS 68 Cb 0.36 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1jh4 h LYS 68 CO -0.30 0.96 -0.21 0.28 -0.57 0.00 0.00 179.45 179.62 1jh4 h VAL 69 N -0.85 0.53 -0.35 0.50 2.07 -1.35 -1.59 116.25 115.21 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 1.01 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1jh4 h VAL 69 CO 0.02 0.00 -0.44 -0.78 0.02 0.00 0.00 177.57 176.39 1jh4 h ASP 70 N -0.38 -1.45 -0.16 0.57 3.58 -0.90 0.19 116.42 117.87 1jh4 h ASP 70 Ca 0.03 0.21 0.05 0.00 0.42 0.00 0.00 57.03 57.74 1jh4 h ASP 70 Cb 0.41 0.62 -0.07 0.00 1.72 0.00 0.00 39.33 42.02 1jh4 h ASP 70 CO -0.13 -0.38 -0.38 -0.33 -2.88 0.00 0.00 179.24 175.13 1jh4 h GLU 71 N -0.37 -0.42 -1.00 0.28 4.39 -1.47 -0.88 114.58 115.10 1jh4 h GLU 71 Ca 0.12 0.03 0.14 0.00 0.34 0.00 0.00 59.36 59.99 1jh4 h GLU 71 Cb 0.60 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.25 1jh4 h GLU 71 CO -0.54 -0.28 0.62 0.00 -1.16 0.00 0.00 179.01 177.65 1jh4 h ALA 72 N 0.27 1.56 -0.93 3.43 0.00 -0.62 0.30 119.26 123.26 1jh4 h ALA 72 Ca 0.09 0.04 0.21 0.00 0.00 0.00 0.00 54.91 55.25 1jh4 h ALA 72 Cb 0.60 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 1jh4 h ALA 72 CO -0.40 0.14 0.61 0.28 0.00 0.00 0.00 179.25 179.88 1jh4 h VAL 73 N 0.93 0.67 0.30 0.00 2.07 0.47 1.46 116.25 122.15 1jh4 h VAL 73 Ca 0.52 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.87 1jh4 h VAL 73 Cb 0.61 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1jh4 h VAL 73 CO -0.30 0.08 -0.15 0.00 0.02 0.00 0.00 177.57 177.23 1jh4 h ALA 74 N 1.61 -0.41 0.70 1.67 0.00 -0.17 -2.82 119.26 119.85 1jh4 h ALA 74 Ca 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1jh4 h ALA 74 Cb 1.16 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1jh4 h ALA 74 CO -0.21 -0.38 -0.34 0.28 0.00 0.00 0.00 179.25 178.60 1jh4 h VAL 75 N -1.09 0.00 0.04 0.00 2.07 -0.66 -2.61 116.25 113.99 1jh4 h VAL 75 Ca -0.04 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1jh4 h VAL 75 Cb 0.35 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1jh4 h VAL 75 CO 0.07 0.00 -0.35 0.25 0.02 0.00 0.00 177.57 177.56 1jh4 h LEU 76 N -1.14 -1.06 -1.92 2.57 6.46 0.18 1.26 115.31 121.65 1jh4 h LEU 76 Ca -0.10 0.12 0.22 0.00 -0.12 0.00 0.00 57.88 58.00 1jh4 h LEU 76 Cb 0.72 0.40 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 1jh4 h LEU 76 CO 0.16 -0.35 0.63 -0.61 -0.62 0.00 0.00 178.44 177.65 1jh4 h GLN 77 N -0.46 0.00 0.05 1.25 5.75 -1.46 0.84 115.11 121.07 1jh4 h GLN 77 Ca 0.00 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 1jh4 h GLN 77 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1jh4 h GLN 77 CO -0.21 0.00 -0.46 0.00 -2.65 0.00 0.00 178.83 175.51 1jh4 h ALA 78 N 1.44 0.01 0.00 3.38 0.00 -0.60 -3.31 119.26 120.18 1jh4 h ALA 78 Ca 0.36 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jh4 h ALA 78 Cb 1.61 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1jh4 h ALA 78 CO -0.00 0.23 0.00 0.72 0.00 0.00 0.00 179.25 180.20 1jh4 n HIS 79 N -4.40 0.00 0.00 0.00 8.25 0.41 -4.10 115.22 115.39 1jh4 n HIS 79 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1jh4 n HIS 79 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 1jh4 n HIS 79 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1jh4 n GLN 80 N -0.93 0.00 -2.61 -0.41 7.27 0.27 -4.45 117.38 116.52 1jh4 n GLN 80 Ca 0.20 0.48 -0.42 0.00 0.07 0.00 0.00 57.00 57.33 1jh4 n GLN 80 Cb 0.09 -1.15 -0.01 0.00 2.41 0.00 0.00 30.24 31.58 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jh4 s ALA 81 N -3.01 3.09 1.04 1.69 0.00 -1.26 -4.99 121.76 118.32 1jh4 s ALA 81 Ca 0.00 -2.65 -0.02 0.00 0.00 0.00 0.00 51.96 49.29 1jh4 s ALA 81 Cb 0.00 -4.54 0.03 0.00 0.00 0.00 0.00 23.12 18.61 1jh4 s ALA 81 CO 0.00 -3.40 0.08 1.17 0.00 0.00 0.00 175.76 173.62 1jh4 n LYS 82 N 8.38 -1.97 0.13 0.00 0.00 -1.26 -4.91 118.16 118.52 1jh4 n LYS 82 Ca 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 58.31 58.56 1jh4 n LYS 82 Cb 0.48 -0.16 0.13 0.00 0.00 0.00 0.00 35.03 35.48 1jh4 n LYS 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1jh4 h GLU 83 N 0.00 0.00 -5.13 1.64 3.07 -1.97 -3.39 114.58 108.80 1jh4 h GLU 83 Ca -0.03 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.39 1jh4 h GLU 83 Cb 0.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1jh4 h GLU 83 CO 0.02 0.66 1.44 0.00 -1.40 0.00 0.00 179.01 179.73 1jh4 n ALA 84 N -2.39 2.20 -0.63 3.43 0.00 -1.26 -4.71 120.51 117.15 1jh4 n ALA 84 Ca -0.01 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.36 1jh4 n ALA 84 Cb 0.67 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.59 1jh4 n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jh4 n ALA 85 N 12.21 -0.01 0.06 0.00 0.00 -1.26 -4.22 120.51 127.29 1jh4 n ALA 85 Ca 0.46 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.70 1jh4 n ALA 85 Cb 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.75 1jh4 n ALA 85 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1jh4 h GLN 86 N 0.00 0.32 -1.99 0.00 7.50 -1.98 -3.35 115.11 115.61 1jh4 h GLN 86 Ca 0.00 -0.54 -0.43 0.00 0.50 0.00 0.00 58.65 58.18 1jh4 h GLN 86 Cb 0.00 0.20 -0.15 0.00 0.05 0.00 0.00 27.48 27.58 1jh4 h GLN 86 CO 0.00 1.21 0.23 1.63 -1.50 0.00 0.00 178.83 180.40 1jh4 n LYS 87 N -3.51 2.30 -2.45 1.46 5.02 -1.26 -4.94 118.16 114.78 1jh4 n LYS 87 Ca -0.22 -2.04 -0.43 0.00 -2.02 0.00 0.00 58.31 53.60 1jh4 n LYS 87 Cb 1.06 -2.10 -0.02 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.16 3.59 -0.30 7.82 0.00 -1.26 -4.85 121.76 125.60 1jh4 s ALA 88 Ca 0.60 0.33 0.20 0.00 0.00 0.00 0.00 51.96 53.08 1jh4 s ALA 88 Cb 0.37 -3.65 -0.29 0.00 0.00 0.00 0.00 23.12 19.55 1jh4 s ALA 88 CO -0.17 -1.32 0.57 1.55 0.00 0.00 0.00 175.76 176.39 1jh4 n VAL 89 N 5.59 0.00 -1.22 0.00 3.14 -1.26 -4.31 118.33 120.27 1jh4 n VAL 89 Ca 0.14 -0.33 -0.21 0.00 -2.96 0.00 0.00 64.34 60.97 1jh4 n VAL 89 Cb 0.45 0.33 0.20 0.00 -1.06 0.00 0.00 33.84 33.76 1jh4 n VAL 89 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 1jh4 n ASN 90 N -1.98 3.80 -4.86 6.55 6.94 -1.26 -4.99 115.26 119.47 1jh4 n ASN 90 Ca -0.01 -3.58 -0.31 0.00 -0.02 0.00 0.00 54.58 50.66 1jh4 n ASN 90 Cb 0.46 -0.82 0.03 0.00 -2.36 0.00 0.00 39.78 37.10 1jh4 n ASN 90 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1jh4 s SER 91 N -1.34 5.75 -0.71 0.53 0.01 -1.26 -4.93 113.70 111.75 1jh4 s SER 91 Ca 0.56 1.39 -0.07 0.00 1.31 0.00 0.00 55.95 59.14 1jh4 s SER 91 Cb 0.47 -2.32 -0.12 0.00 0.21 0.00 0.00 66.02 64.26 1jh4 s SER 91 CO 0.11 -1.18 3.15 0.00 0.41 0.00 0.00 173.24 175.73 1jh4 n ALA 92 N -2.94 6.80 -2.70 1.44 0.00 -1.26 -4.65 120.51 117.20 1jh4 n ALA 92 Ca 0.07 -2.80 -0.36 0.00 0.00 0.00 0.00 53.44 50.34 1jh4 n ALA 92 Cb 0.55 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.34 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 2.46 4.96 0.00 0.00 -2.24 -1.26 -4.65 114.28 113.55 1jh4 n THR 93 Ca 0.57 -5.77 0.06 0.00 -2.27 0.00 0.00 64.05 56.64 1jh4 n THR 93 Cb 0.58 -1.48 -0.12 0.00 -2.10 0.00 0.00 70.33 67.20 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 -0.15 -1.12 0.10 3.38 0.00 -1.26 -4.64 105.19 101.49 1jh4 n GLY 94 Ca 0.42 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 1jh4 n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jh4 n VAL 95 N -2.52 1.50 -2.18 1.61 0.31 -1.26 -4.91 118.33 110.87 1jh4 n VAL 95 Ca -0.09 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.82 1jh4 n VAL 95 Cb 0.70 -2.21 -0.02 0.00 -0.91 0.00 0.00 33.84 31.40 1jh4 n VAL 95 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1jh4 s PRO 96 N -2.63 4.07 -0.22 5.55 0.04 -1.26 -4.88 135.00 135.67 1jh4 s PRO 96 Ca -0.29 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 1jh4 s PRO 96 Cb 0.07 -3.93 -0.13 0.00 0.04 0.00 0.00 34.50 30.55 1jh4 s PRO 96 CO 0.42 -0.96 -0.23 2.41 0.04 0.00 0.00 177.00 178.68 1jh4 n THR 97 N 5.77 1.25 -0.75 1.26 -1.04 -1.26 -4.94 114.28 114.56 1jh4 n THR 97 Ca 0.17 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 1jh4 n THR 97 Cb 0.44 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 1jh4 n THR 97 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76