#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 -1.57 -0.07 1.61 -0.04 -1.26 -5.01 135.00 128.66 1jh4 n PRO 2 Ca 0.00 -0.49 -0.12 0.00 -0.04 0.00 0.00 63.50 62.86 1jh4 n PRO 2 Cb 0.00 -0.45 -0.15 0.00 -0.04 0.00 0.00 33.50 32.86 1jh4 n PRO 2 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jh4 n LEU 3 N 0.00 0.95 -4.18 1.53 7.99 -1.26 -4.69 117.00 117.34 1jh4 n LEU 3 Ca 0.04 0.15 -0.40 0.00 -0.01 0.00 0.00 56.01 55.79 1jh4 n LEU 3 Cb 0.16 0.04 -0.05 0.00 -0.11 0.00 0.00 43.42 43.46 1jh4 n LEU 3 CO 0.11 0.55 0.37 -0.83 -1.51 0.00 0.00 177.39 176.09 1jh4 s GLY 4 N -5.50 2.91 -0.10 -0.72 0.00 -1.26 -5.05 107.32 97.60 1jh4 s GLY 4 Ca -0.13 -3.63 -0.26 0.00 0.00 0.00 0.00 44.72 40.71 1jh4 s GLY 4 CO 0.79 1.21 0.84 -0.56 0.00 0.00 0.00 173.10 175.38 1jh4 s SER 5 N 0.69 7.07 0.97 1.64 0.01 -1.26 -5.05 113.70 117.78 1jh4 s SER 5 Ca 0.24 1.30 -0.11 0.00 1.31 0.00 0.00 55.95 58.69 1jh4 s SER 5 Cb -0.11 -2.47 0.18 0.00 0.21 0.00 0.00 66.02 63.82 1jh4 s SER 5 CO -0.09 -0.30 0.40 -2.65 0.41 0.00 0.00 173.24 171.01 1jh4 n PRO 6 N 4.58 -1.69 -3.93 12.44 -0.02 -1.26 -4.98 135.00 140.14 1jh4 n PRO 6 Ca 0.04 -0.67 -0.36 0.00 -2.02 0.00 0.00 63.50 60.48 1jh4 n PRO 6 Cb 0.50 -1.20 -0.07 0.00 -0.02 0.00 0.00 33.50 32.71 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 0.00 4.21 -0.08 2.45 2.01 -1.26 -5.02 118.68 120.99 1jh4 s LEU 7 Ca 0.31 0.35 -0.12 0.00 0.01 0.00 0.00 54.13 54.68 1jh4 s LEU 7 Cb -0.05 -2.03 -0.29 0.00 0.01 0.00 0.00 46.19 43.82 1jh4 s LEU 7 CO 0.26 0.34 0.59 0.71 1.01 0.00 0.00 176.35 179.27 1jh4 h THR 8 N 4.20 0.93 0.04 5.49 1.35 -1.98 -2.88 112.91 120.07 1jh4 h THR 8 Ca -0.50 -2.45 -0.00 0.00 -0.55 0.00 0.00 66.41 62.90 1jh4 h THR 8 Cb 1.21 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 1jh4 h THR 8 CO 0.62 0.81 -0.02 0.00 -0.25 0.00 0.00 175.52 176.68 1jh4 h ALA 9 N 0.05 -0.97 -0.09 6.62 0.00 -2.01 -2.50 119.26 120.37 1jh4 h ALA 9 Ca -0.34 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1jh4 h ALA 9 Cb 1.98 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.83 1jh4 h ALA 9 CO 0.13 -0.97 0.19 0.77 0.00 0.00 0.00 179.25 179.37 1jh4 h SER 10 N -0.05 0.00 -0.56 0.00 0.02 -1.96 -0.23 113.55 110.76 1jh4 h SER 10 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1jh4 h SER 10 Cb 0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1jh4 h SER 10 CO 0.01 0.00 0.24 -0.03 -1.14 0.00 0.00 176.83 175.91 1jh4 h MET 11 N 0.00 0.83 0.58 3.45 1.85 -1.25 0.27 114.93 120.66 1jh4 h MET 11 Ca 0.04 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 1jh4 h MET 11 Cb 0.43 -0.14 0.01 0.00 0.43 0.00 0.00 31.60 32.32 1jh4 h MET 11 CO -0.00 0.71 -0.28 1.25 -0.40 0.00 0.00 176.91 178.19 1jh4 h LEU 12 N 0.77 -0.66 -0.30 3.39 7.12 -0.60 -2.86 115.31 122.16 1jh4 h LEU 12 Ca 0.19 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1jh4 h LEU 12 Cb 0.17 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 1jh4 h LEU 12 CO -0.02 -0.29 0.00 0.00 -0.13 0.00 0.00 178.44 178.00 1jh4 n ALA 13 N -2.62 1.98 -0.04 1.25 0.00 -1.10 -2.50 120.51 117.48 1jh4 n ALA 13 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1jh4 n ALA 13 Cb 0.34 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.28 1.33 -3.06 0.00 2.88 0.08 -4.58 113.62 109.99 1jh4 n SER 14 Ca 0.00 0.20 -0.23 0.00 -1.33 0.00 0.00 58.87 57.51 1jh4 n SER 14 Cb 0.04 -0.23 -0.04 0.00 -0.75 0.00 0.00 64.21 63.24 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh4 n ALA 15 N -2.84 3.45 -0.33 -1.46 0.00 -1.04 -4.97 120.51 113.33 1jh4 n ALA 15 Ca -0.29 -4.11 0.06 0.00 0.00 0.00 0.00 53.44 49.11 1jh4 n ALA 15 Cb 1.06 -0.82 0.15 0.00 0.00 0.00 0.00 19.45 19.84 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 3.00 0.01 0.00 0.00 0.10 -1.81 -2.50 132.00 130.80 1jh4 h PRO 16 Ca 0.12 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.22 1jh4 h PRO 16 Cb 0.72 -0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.81 1jh4 h PRO 16 CO 0.67 0.01 0.00 -2.30 0.10 0.00 0.00 178.00 176.48 1jh4 n PRO 17 N -5.55 1.90 0.24 1.05 -0.02 -1.26 -4.31 135.00 127.05 1jh4 n PRO 17 Ca 0.16 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.75 1jh4 n PRO 17 Cb 0.52 0.00 0.58 0.00 -0.02 0.00 0.00 33.50 34.57 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 -1.45 -0.52 -0.00 -2.04 -1.22 115.11 109.88 1jh4 h GLN 18 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 1jh4 h GLN 18 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.42 1jh4 h GLN 18 CO 0.00 0.00 0.17 0.39 -0.00 0.00 0.00 178.83 179.39 1jh4 n GLU 19 N -2.44 1.32 0.00 0.06 1.02 -1.25 -4.39 120.64 114.96 1jh4 n GLU 19 Ca -0.01 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 1jh4 n GLU 19 Cb 0.33 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 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 -0.46 -4.17 117.38 127.50 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 0.63 -0.29 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 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 -0.06 0.98 0.00 2.61 4.76 -1.26 -4.31 118.16 120.89 1jh4 n LYS 21 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jh4 n LYS 21 Cb 0.00 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1jh4 n GLN 22 N -0.24 0.00 0.00 1.97 0.00 -1.26 -3.09 117.38 114.77 1jh4 n GLN 22 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 57.00 57.46 1jh4 n GLN 22 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 28.96 1jh4 n GLN 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jh4 n MET 23 N -1.88 0.00 -0.19 3.69 0.00 -1.26 -2.98 117.12 114.50 1jh4 n MET 23 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 57.70 57.67 1jh4 n MET 23 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 33.22 32.66 1jh4 n MET 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1jh4 n LEU 24 N -0.06 1.18 0.00 3.17 -0.00 -1.26 -4.89 117.00 115.13 1jh4 n LEU 24 Ca 0.00 -1.28 0.00 0.00 -0.00 0.00 0.00 56.01 54.73 1jh4 n LEU 24 Cb 0.00 -0.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 1jh4 n LEU 24 CO 0.00 -0.46 0.00 0.61 -0.00 0.00 0.00 177.39 177.54 1jh4 n GLY 25 N 3.49 0.38 0.00 1.47 0.00 -1.16 -4.16 105.19 105.20 1jh4 n GLY 25 Ca 0.10 -0.14 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 1.18 0.00 0.00 0.00 173.32 174.50 1jh4 n GLU 26 N 3.04 0.00 -0.22 1.61 1.02 -1.26 -4.34 120.64 120.49 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 -0.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 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 -0.37 0.00 0.05 3.49 5.12 -1.26 -4.90 116.66 118.79 1jh4 n ARG 27 Ca 0.00 -0.58 -0.20 0.00 -1.93 0.00 0.00 57.85 55.14 1jh4 n ARG 27 Cb 0.00 -0.40 -0.13 0.00 -1.16 0.00 0.00 32.46 30.77 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 0.60 -0.65 0.55 3.38 -1.90 -3.21 115.31 114.07 1jh4 h LEU 28 Ca 0.00 -0.87 0.14 0.00 0.09 0.00 0.00 57.88 57.24 1jh4 h LEU 28 Cb 1.14 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.60 1jh4 h LEU 28 CO 0.00 1.40 0.03 0.15 0.09 0.00 0.00 178.44 180.11 1jh4 h PHE 29 N -0.13 0.01 -0.38 1.13 3.57 -1.80 1.29 116.94 120.63 1jh4 h PHE 29 Ca -0.14 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1jh4 h PHE 29 Cb 1.63 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 1jh4 h PHE 29 CO 0.16 -0.16 0.23 -1.35 -2.23 0.00 0.00 178.31 174.96 1jh4 h PRO 30 N 0.14 0.52 -0.03 6.41 0.11 -1.88 1.25 132.00 138.52 1jh4 h PRO 30 Ca 0.35 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1jh4 h PRO 30 Cb 0.58 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1jh4 h PRO 30 CO -0.54 0.38 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.53 1jh4 h LEU 31 N 0.50 0.07 -0.51 2.35 3.38 -1.17 -2.98 115.31 116.95 1jh4 h LEU 31 Ca 0.14 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 1jh4 h LEU 31 Cb -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1jh4 h LEU 31 CO -0.03 0.52 -0.14 -0.29 0.09 0.00 0.00 178.44 178.59 1jh4 h ILE 32 N -0.37 1.27 -0.91 1.22 -0.00 0.16 -2.42 117.51 116.47 1jh4 h ILE 32 Ca 0.01 -1.30 0.25 0.00 -0.00 0.00 0.00 64.86 63.82 1jh4 h ILE 32 Cb 0.49 1.05 -0.14 0.00 -0.00 0.00 0.00 36.82 38.22 1jh4 h ILE 32 CO 0.01 0.45 0.30 -0.61 -0.00 0.00 0.00 178.15 178.30 1jh4 h GLN 33 N 0.86 0.22 -0.52 2.19 4.15 0.16 2.16 115.11 124.32 1jh4 h GLN 33 Ca 0.13 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.60 1jh4 h GLN 33 Cb 0.72 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 1jh4 h GLN 33 CO 0.05 0.14 0.35 0.00 -1.93 0.00 0.00 178.83 177.45 1jh4 h ALA 34 N 1.80 1.95 0.00 3.38 0.00 -1.27 -3.25 119.26 121.87 1jh4 h ALA 34 Ca 0.59 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 55.13 1jh4 h ALA 34 Cb 1.23 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1jh4 h ALA 34 CO -0.66 -0.05 -2.14 -1.33 0.00 0.00 0.00 179.25 175.08 1jh4 n MET 35 N -4.47 0.57 -3.54 0.00 2.81 0.40 -5.04 117.12 107.85 1jh4 n MET 35 Ca 0.08 0.28 -0.20 0.00 -1.81 0.00 0.00 57.70 56.05 1jh4 n MET 35 Cb 0.29 -1.51 0.08 0.00 -0.71 0.00 0.00 33.22 31.37 1jh4 n MET 35 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1jh4 n HIS 36 N -4.31 -2.32 0.00 2.03 8.25 0.63 -4.97 115.22 114.53 1jh4 n HIS 36 Ca -0.45 0.94 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1jh4 n HIS 36 Cb 0.80 -4.91 0.00 0.00 1.12 0.00 0.00 29.99 26.99 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 -4.40 0.00 -0.08 -0.41 -0.04 -1.26 -4.64 135.00 124.17 1jh4 n PRO 37 Ca -0.20 0.34 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1jh4 n PRO 37 Cb 0.64 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.53 1.46 -3.15 0.52 -2.24 -1.26 -4.88 114.28 103.20 1jh4 n THR 38 Ca 0.00 0.17 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 1jh4 n THR 38 Cb 0.00 -2.35 -0.01 0.00 -2.10 0.00 0.00 70.33 65.86 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 -7.96 -0.73 0.18 3.22 1.43 -1.26 -4.43 118.68 109.12 1jh4 s LEU 39 Ca -0.24 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.10 1jh4 s LEU 39 Cb 0.03 1.59 0.15 0.00 0.03 0.00 0.00 46.19 47.99 1jh4 s LEU 39 CO 0.36 -0.14 1.68 0.00 0.23 0.00 0.00 176.35 178.49 1jh4 h ALA 40 N 7.93 0.40 0.39 4.21 0.00 -1.91 0.86 119.26 131.13 1jh4 h ALA 40 Ca -0.15 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jh4 h ALA 40 Cb 1.17 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1jh4 h ALA 40 CO -0.00 -0.41 -0.38 0.78 0.00 0.00 0.00 179.25 179.24 1jh4 h GLY 41 N 0.08 -1.13 1.11 0.00 0.00 -1.97 -2.29 103.07 98.87 1jh4 h GLY 41 Ca 0.23 0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.96 1jh4 h GLY 41 CO -0.40 -0.35 -0.09 0.50 0.00 0.00 0.00 176.54 176.19 1jh4 h LYS 42 N -0.77 1.04 -0.95 4.80 1.79 -1.95 -3.07 116.57 117.46 1jh4 h LYS 42 Ca -0.05 -0.38 0.13 0.00 -2.18 0.00 0.00 60.65 58.18 1jh4 h LYS 42 Cb 0.67 -0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.17 1jh4 h LYS 42 CO -0.04 1.07 0.60 0.97 -1.08 0.00 0.00 179.45 180.97 1jh4 h ILE 43 N 0.92 0.88 -0.72 1.86 2.10 0.78 -1.52 117.51 121.82 1jh4 h ILE 43 Ca 0.15 -0.29 0.11 0.00 1.08 0.00 0.00 64.86 65.90 1jh4 h ILE 43 Cb 0.66 -0.05 -0.08 0.00 -1.09 0.00 0.00 36.82 36.26 1jh4 h ILE 43 CO 0.05 0.16 0.32 0.74 -1.08 0.00 0.00 178.15 178.33 1jh4 h THR 44 N 0.86 0.77 -0.98 2.19 2.02 -1.30 -0.41 112.91 116.05 1jh4 h THR 44 Ca 0.47 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.52 1jh4 h THR 44 Cb 0.59 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.14 1jh4 h THR 44 CO -0.24 0.09 0.64 1.23 0.37 0.00 0.00 175.52 177.61 1jh4 h GLY 45 N 0.52 1.44 0.56 2.16 0.00 -1.39 0.15 103.07 106.50 1jh4 h GLY 45 Ca 0.37 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1jh4 h GLY 45 CO -0.32 0.40 -0.21 -0.33 0.00 0.00 0.00 176.54 176.08 1jh4 h MET 46 N 1.22 -0.57 0.00 4.80 2.07 -1.22 -2.96 114.93 118.27 1jh4 h MET 46 Ca 0.39 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 58.06 1jh4 h MET 46 Cb 0.03 0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.89 1jh4 h MET 46 CO -0.13 -0.29 0.07 -0.07 1.07 0.00 0.00 176.91 177.56 1jh4 h LEU 47 N -1.04 0.00 -0.84 1.22 -0.00 -1.00 -2.99 115.31 110.66 1jh4 h LEU 47 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1jh4 h LEU 47 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1jh4 h LEU 47 CO 0.10 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.43 1jh4 n LEU 48 N -2.97 0.00 0.00 1.67 7.94 0.50 -3.13 117.00 121.01 1jh4 n LEU 48 Ca -0.03 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.98 1jh4 n LEU 48 Cb 0.13 0.00 0.52 0.00 0.53 0.00 0.00 43.42 44.60 1jh4 n LEU 48 CO 0.18 0.00 0.85 -1.84 -1.11 0.00 0.00 177.39 175.46 1jh4 n GLU 49 N 0.34 0.20 -4.00 1.96 0.28 -1.13 -4.80 120.64 113.49 1jh4 n GLU 49 Ca 0.00 0.10 -0.22 0.00 -0.16 0.00 0.00 57.16 56.88 1jh4 n GLU 49 Cb 0.00 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.32 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 -2.72 3.41 0.36 3.84 1.10 -1.18 -5.12 121.20 120.89 1jh4 s ILE 50 Ca 0.17 -1.55 -0.26 0.00 -0.51 0.00 0.00 60.65 58.50 1jh4 s ILE 50 Cb 0.14 -3.09 -0.09 0.00 0.15 0.00 0.00 42.46 39.57 1jh4 s ILE 50 CO 0.35 -0.21 1.07 -0.62 -2.11 0.00 0.00 174.94 173.42 1jh4 s ASP 51 N -3.89 6.90 0.61 4.50 2.15 -1.26 -4.90 116.67 120.77 1jh4 s ASP 51 Ca 0.38 2.13 0.26 0.00 0.43 0.00 0.00 52.55 55.75 1jh4 s ASP 51 Cb -0.05 -2.60 1.14 0.00 -0.30 0.00 0.00 42.92 41.11 1jh4 s ASP 51 CO 0.24 -0.40 1.57 -1.13 -0.17 0.00 0.00 175.17 175.28 1jh4 h ASN 52 N 2.91 0.00 0.63 -0.34 -0.73 -1.99 0.54 115.58 116.60 1jh4 h ASN 52 Ca -0.48 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 57.55 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 0.64 0.00 -0.68 0.77 -0.37 0.00 0.00 177.43 177.79 1jh4 h SER 53 N 0.00 0.05 -0.05 1.15 4.64 -2.01 -3.09 113.55 114.24 1jh4 h SER 53 Ca 0.31 -0.03 -0.22 0.00 -0.47 0.00 0.00 61.79 61.38 1jh4 h SER 53 Cb 1.99 -0.01 0.02 0.00 -0.31 0.00 0.00 62.40 64.08 1jh4 h SER 53 CO -0.00 0.71 -0.82 -0.33 -0.87 0.00 0.00 176.83 175.52 1jh4 h GLU 54 N 0.03 0.65 -0.35 4.77 4.39 -0.27 -3.18 114.58 120.62 1jh4 h GLU 54 Ca -0.01 -0.63 -0.02 0.00 0.34 0.00 0.00 59.36 59.05 1jh4 h GLU 54 Cb 1.20 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 30.00 1jh4 h GLU 54 CO 0.09 1.23 0.15 -0.07 -1.16 0.00 0.00 179.01 179.25 1jh4 h LEU 55 N 0.29 0.44 -0.43 1.33 4.07 -1.58 -1.95 115.31 117.48 1jh4 h LEU 55 Ca -0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.81 1jh4 h LEU 55 Cb 1.48 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 1jh4 h LEU 55 CO 0.16 0.39 0.18 -0.07 -1.08 0.00 0.00 178.44 178.02 1jh4 h LEU 56 N 0.49 0.59 -0.93 1.67 3.38 -1.55 -0.12 115.31 118.84 1jh4 h LEU 56 Ca 0.12 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1jh4 h LEU 56 Cb 0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1jh4 h LEU 56 CO -0.01 0.59 0.62 0.45 0.09 0.00 0.00 178.44 180.18 1jh4 h HIS 57 N 0.56 1.17 -0.32 1.13 3.86 -1.37 -2.50 115.15 117.68 1jh4 h HIS 57 Ca 0.15 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1jh4 h HIS 57 Cb 0.18 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.24 1jh4 h HIS 57 CO -0.00 0.73 0.09 0.52 0.86 0.00 0.00 177.93 180.13 1jh4 h MET 58 N 1.25 0.51 0.00 2.45 2.86 -0.92 -0.92 114.93 120.17 1jh4 h MET 58 Ca 0.34 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1jh4 h MET 58 Cb -0.13 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 1jh4 h MET 58 CO -0.08 0.56 -0.00 1.25 1.06 0.00 0.00 176.91 179.70 1jh4 h LEU 59 N 0.36 0.00 -1.46 1.22 6.46 -0.61 0.11 115.31 121.39 1jh4 h LEU 59 Ca 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1jh4 h LEU 59 Cb 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1jh4 h LEU 59 CO -0.00 0.00 -0.13 -0.62 -0.62 0.00 0.00 178.44 177.07 1jh4 n GLU 60 N -3.38 1.63 -3.41 1.25 1.02 -0.98 -4.77 120.64 111.99 1jh4 n GLU 60 Ca -0.03 -1.38 -0.23 0.00 -0.02 0.00 0.00 57.16 55.50 1jh4 n GLU 60 Cb 0.08 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.77 2.14 0.61 1.62 0.01 0.36 -5.00 113.70 111.67 1jh4 s SER 61 Ca 0.20 -1.90 0.28 0.00 1.31 0.00 0.00 55.95 55.84 1jh4 s SER 61 Cb 0.16 0.05 1.42 0.00 0.21 0.00 0.00 66.02 67.86 1jh4 s SER 61 CO 0.32 -0.29 1.83 -0.65 0.41 0.00 0.00 173.24 174.86 1jh4 h PRO 62 N 7.05 0.00 0.74 12.44 0.11 -1.85 -1.42 132.00 149.06 1jh4 h PRO 62 Ca 0.05 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 1jh4 h PRO 62 Cb 1.01 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.13 1jh4 h PRO 62 CO 0.23 0.00 -0.35 0.93 -0.21 0.00 0.00 178.00 178.60 1jh4 h GLU 63 N 0.00 -0.95 -0.22 1.05 5.08 -1.94 0.17 114.58 117.76 1jh4 h GLU 63 Ca 0.18 0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 1jh4 h GLU 63 Cb 1.23 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1jh4 h GLU 63 CO -0.00 -0.63 -0.36 0.77 -1.00 0.00 0.00 179.01 177.78 1jh4 h SER 64 N -1.01 0.50 0.63 1.42 0.02 -1.80 -3.02 113.55 110.29 1jh4 h SER 64 Ca -0.10 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1jh4 h SER 64 Cb 0.76 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1jh4 h SER 64 CO 0.17 0.82 -0.47 0.25 -1.14 0.00 0.00 176.83 176.46 1jh4 h LEU 65 N 0.40 -1.22 -2.10 5.07 7.12 -1.22 -1.71 115.31 121.65 1jh4 h LEU 65 Ca 0.04 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.23 1jh4 h LEU 65 Cb 0.82 0.38 -0.01 0.00 -0.53 0.00 0.00 40.66 41.31 1jh4 h LEU 65 CO 0.07 -0.68 0.29 -0.09 -0.13 0.00 0.00 178.44 177.90 1jh4 h ARG 66 N -1.06 0.00 -0.23 1.25 2.43 -0.67 -1.20 114.38 114.91 1jh4 h ARG 66 Ca -0.08 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1jh4 h ARG 66 Cb 0.88 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1jh4 h ARG 66 CO 0.03 0.00 0.11 1.03 -1.51 0.00 0.00 179.97 179.63 1jh4 h SER 67 N 0.00 0.16 -0.00 -3.80 0.87 -1.18 0.18 113.55 109.79 1jh4 h SER 67 Ca 0.15 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1jh4 h SER 67 Cb 0.73 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1jh4 h SER 67 CO -0.00 0.13 -0.06 0.11 -0.53 0.00 0.00 176.83 176.47 1jh4 h LYS 68 N 0.24 0.04 0.34 2.24 1.57 -1.04 -2.96 116.57 117.00 1jh4 h LYS 68 Ca 0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1jh4 h LYS 68 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1jh4 h LYS 68 CO -0.07 0.82 -0.33 0.28 -0.57 0.00 0.00 179.45 179.57 1jh4 h VAL 69 N -0.71 0.31 -0.40 0.50 2.07 -1.37 -0.42 116.25 116.22 1jh4 h VAL 69 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1jh4 h VAL 69 Cb 0.84 0.31 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 1jh4 h VAL 69 CO 0.01 0.00 -0.39 -0.78 0.02 0.00 0.00 177.57 176.43 1jh4 h ASP 70 N -0.70 -1.30 0.08 0.57 1.82 -0.77 0.15 116.42 116.27 1jh4 h ASP 70 Ca -0.02 0.21 0.01 0.00 -0.39 0.00 0.00 57.03 56.84 1jh4 h ASP 70 Cb 0.63 0.58 -0.05 0.00 0.68 0.00 0.00 39.33 41.18 1jh4 h ASP 70 CO -0.06 -0.35 -0.50 -0.33 -1.61 0.00 0.00 179.24 176.39 1jh4 h GLU 71 N -0.30 -0.67 -0.66 0.28 4.39 -1.33 -1.78 114.58 114.50 1jh4 h GLU 71 Ca 0.15 0.05 0.14 0.00 0.34 0.00 0.00 59.36 60.04 1jh4 h GLU 71 Cb 0.57 0.15 -0.11 0.00 -0.10 0.00 0.00 28.75 29.26 1jh4 h GLU 71 CO -0.56 -0.45 0.04 0.00 -1.16 0.00 0.00 179.01 176.88 1jh4 h ALA 72 N -0.57 0.71 -1.00 3.43 0.00 -0.47 0.32 119.26 121.69 1jh4 h ALA 72 Ca -0.00 0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.28 1jh4 h ALA 72 Cb 0.71 0.32 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 1jh4 h ALA 72 CO -0.29 -0.38 0.62 0.28 0.00 0.00 0.00 179.25 179.47 1jh4 h VAL 73 N 0.15 0.75 0.16 0.00 2.07 0.07 1.42 116.25 120.87 1jh4 h VAL 73 Ca 0.36 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1jh4 h VAL 73 Cb 0.59 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1jh4 h VAL 73 CO -0.54 0.14 -0.07 0.00 0.02 0.00 0.00 177.57 177.12 1jh4 h ALA 74 N 1.62 -0.21 0.52 1.67 0.00 0.30 -2.95 119.26 120.22 1jh4 h ALA 74 Ca 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1jh4 h ALA 74 Cb 0.84 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1jh4 h ALA 74 CO -0.34 -0.28 -0.25 -0.24 0.00 0.00 0.00 179.25 178.14 1jh4 h VAL 75 N -0.88 0.00 -0.03 0.00 3.04 -0.22 -2.81 116.25 115.34 1jh4 h VAL 75 Ca -0.02 -0.37 0.03 0.00 -1.01 0.00 0.00 66.70 65.33 1jh4 h VAL 75 Cb 0.52 0.00 -0.06 0.00 -2.01 0.00 0.00 31.29 29.74 1jh4 h VAL 75 CO 0.04 0.00 -0.45 0.25 -1.01 0.00 0.00 177.57 176.39 1jh4 h LEU 76 N -1.07 -1.40 -1.96 3.16 5.85 0.17 0.95 115.31 121.02 1jh4 h LEU 76 Ca -0.07 0.17 0.22 0.00 0.84 0.00 0.00 57.88 59.04 1jh4 h LEU 76 Cb 0.54 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1jh4 h LEU 76 CO 0.12 -0.47 0.60 -0.61 -0.34 0.00 0.00 178.44 177.74 1jh4 h GLN 77 N -0.58 0.00 0.05 1.25 -0.00 -1.50 0.43 115.11 114.75 1jh4 h GLN 77 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.61 1jh4 h GLN 77 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.15 1jh4 h GLN 77 CO -0.35 0.00 -0.43 0.00 0.00 0.00 0.00 178.83 178.05 1jh4 h ALA 78 N 1.50 0.01 0.00 3.38 0.00 -0.24 -3.29 119.26 120.63 1jh4 h ALA 78 Ca 0.36 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jh4 h ALA 78 Cb 1.56 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1jh4 h ALA 78 CO -0.00 0.22 0.00 0.72 0.00 0.00 0.00 179.25 180.19 1jh4 n HIS 79 N -4.42 0.00 0.13 0.00 8.25 0.29 -3.81 115.22 115.67 1jh4 n HIS 79 Ca -0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.21 1jh4 n HIS 79 Cb 0.62 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.66 1jh4 n HIS 79 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1jh4 h GLN 80 N 0.00 -0.37 -1.94 -0.41 -0.00 -0.31 -3.22 115.11 108.86 1jh4 h GLN 80 Ca 0.00 0.03 -0.12 0.00 -0.00 0.00 0.00 58.65 58.56 1jh4 h GLN 80 Cb 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 27.48 27.52 1jh4 h GLN 80 CO 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 178.83 178.76 1jh4 n ALA 81 N -2.57 4.94 -0.45 3.38 0.00 -1.25 -4.57 120.51 119.99 1jh4 n ALA 81 Ca -0.08 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.46 1jh4 n ALA 81 Cb 0.26 -1.48 0.01 0.00 0.00 0.00 0.00 19.45 18.24 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 1.62 1.10 -2.94 0.00 5.02 -1.22 -4.76 118.16 116.99 1jh4 n LYS 82 Ca 0.18 -0.19 -0.44 0.00 -2.02 0.00 0.00 58.31 55.84 1jh4 n LYS 82 Cb 0.63 -1.07 -0.01 0.00 -0.02 0.00 0.00 35.03 34.56 1jh4 n LYS 82 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1jh4 s GLU 83 N -0.22 3.95 -0.33 1.97 8.01 -1.26 -4.99 118.70 125.83 1jh4 s GLU 83 Ca 0.04 -2.34 -0.29 0.00 0.01 0.00 0.00 54.97 52.39 1jh4 s GLU 83 Cb 0.03 -5.03 -0.01 0.00 -4.31 0.00 0.00 34.13 24.82 1jh4 s GLU 83 CO -0.00 -1.77 1.52 0.00 0.01 0.00 0.00 175.26 175.01 1jh4 s ALA 84 N 1.93 3.12 -0.31 5.21 0.00 -1.26 -4.86 121.76 125.58 1jh4 s ALA 84 Ca 0.40 0.12 0.24 0.00 0.00 0.00 0.00 51.96 52.72 1jh4 s ALA 84 Cb -0.03 -3.91 1.11 0.00 0.00 0.00 0.00 23.12 20.30 1jh4 s ALA 84 CO -0.03 -2.23 1.72 0.00 0.00 0.00 0.00 175.76 175.23 1jh4 h ALA 85 N 10.91 1.00 -0.15 0.00 0.00 -2.00 -3.26 119.26 125.77 1jh4 h ALA 85 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jh4 h ALA 85 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1jh4 h ALA 85 CO 1.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 181.34 1jh4 n GLN 86 N -2.31 0.00 -1.35 0.00 6.02 -1.26 -4.15 117.38 114.33 1jh4 n GLN 86 Ca 0.00 0.48 -0.38 0.00 -0.01 0.00 0.00 57.00 57.09 1jh4 n GLN 86 Cb 0.15 -1.14 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jh4 n LYS 87 N -1.93 2.98 0.01 -1.09 5.02 -1.23 -4.44 118.16 117.50 1jh4 n LYS 87 Ca 0.00 -2.19 -0.05 0.00 -2.02 0.00 0.00 58.31 54.05 1jh4 n LYS 87 Cb 0.00 -2.92 -0.11 0.00 -0.02 0.00 0.00 35.03 31.98 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jh4 h ALA 88 N 5.79 0.67 0.15 7.82 0.00 -1.72 -3.38 119.26 128.60 1jh4 h ALA 88 Ca 0.68 -1.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.23 1jh4 h ALA 88 Cb 0.42 0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.53 1jh4 h ALA 88 CO 1.79 1.31 -0.87 0.28 0.00 0.00 0.00 179.25 181.75 1jh4 h VAL 89 N 0.00 1.49 -0.96 0.00 2.07 -1.93 -3.37 116.25 113.56 1jh4 h VAL 89 Ca -0.19 -2.55 -0.74 0.00 0.82 0.00 0.00 66.70 64.03 1jh4 h VAL 89 Cb 1.83 3.19 -0.11 0.00 -1.52 0.00 0.00 31.29 34.68 1jh4 h VAL 89 CO 0.08 0.73 2.45 -0.46 0.02 0.00 0.00 177.57 180.39 1jh4 n ASN 90 N -4.09 5.57 -4.55 0.57 6.94 -1.26 -4.96 115.26 113.49 1jh4 n ASN 90 Ca -0.14 -3.02 -0.25 0.00 -0.02 0.00 0.00 54.58 51.15 1jh4 n ASN 90 Cb 0.85 -1.50 0.13 0.00 -2.36 0.00 0.00 39.78 36.90 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 4.03 -0.94 0.53 0.01 -1.26 -4.92 113.70 112.48 1jh4 s SER 91 Ca 0.46 -0.36 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 1jh4 s SER 91 Cb 0.13 0.11 -0.17 0.00 0.21 0.00 0.00 66.02 66.29 1jh4 s SER 91 CO -0.04 -2.09 1.94 0.00 0.41 0.00 0.00 173.24 173.46 1jh4 n ALA 92 N -3.03 1.59 -2.81 1.44 0.00 -1.26 -4.77 120.51 111.67 1jh4 n ALA 92 Ca 0.16 -2.85 -0.41 0.00 0.00 0.00 0.00 53.44 50.35 1jh4 n ALA 92 Cb 0.61 -3.51 0.01 0.00 0.00 0.00 0.00 19.45 16.56 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 7.69 5.64 -1.73 0.00 -2.24 -1.26 -4.87 114.28 117.51 1jh4 n THR 93 Ca 0.45 -5.94 -0.34 0.00 -2.27 0.00 0.00 64.05 55.94 1jh4 n THR 93 Cb 0.45 -1.77 -0.03 0.00 -2.10 0.00 0.00 70.33 66.88 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 0.50 4.75 0.06 3.38 0.00 -1.26 -4.61 105.19 108.01 1jh4 n GLY 94 Ca 0.38 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 44.42 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 2.41 0.76 -0.77 1.61 2.07 -2.01 -3.41 116.25 116.91 1jh4 h VAL 95 Ca 0.59 -1.58 -0.34 0.00 0.82 0.00 0.00 66.70 66.20 1jh4 h VAL 95 Cb 0.50 1.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1jh4 h VAL 95 CO 1.24 0.26 0.85 -2.16 0.02 0.00 0.00 177.57 177.78 1jh4 s PRO 96 N -1.86 2.70 0.22 1.57 0.04 -1.26 -4.96 135.00 131.46 1jh4 s PRO 96 Ca -0.09 -0.43 0.04 0.00 0.04 0.00 0.00 61.00 60.56 1jh4 s PRO 96 Cb -0.01 -5.11 -0.03 0.00 0.04 0.00 0.00 34.50 29.39 1jh4 s PRO 96 CO 0.30 -3.22 0.35 0.99 0.04 0.00 0.00 177.00 175.46 1jh4 s THR 97 N 9.36 5.27 -0.57 1.26 2.01 -1.26 -5.24 115.64 126.46 1jh4 s THR 97 Ca 0.67 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.87 1jh4 s THR 97 Cb -0.06 -3.82 0.04 0.00 0.01 0.00 0.00 72.50 68.67 1jh4 s THR 97 CO -0.02 -0.27 0.65 0.52 -0.69 0.00 0.00 174.62 174.81