#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 2.64 0.20 1.61 0.04 -1.26 -4.79 135.00 133.43 1jh4 s PRO 2 Ca 0.00 0.27 0.26 0.00 0.04 0.00 0.00 61.00 61.56 1jh4 s PRO 2 Cb 0.00 -4.61 0.71 0.00 0.04 0.00 0.00 34.50 30.63 1jh4 s PRO 2 CO 0.00 -2.92 1.68 1.28 0.04 0.00 0.00 177.00 177.09 1jh4 n LEU 3 N 12.98 0.82 -4.97 -3.56 4.77 -1.26 -4.85 117.00 120.92 1jh4 n LEU 3 Ca 0.26 0.51 -0.21 0.00 -0.03 0.00 0.00 56.01 56.55 1jh4 n LEU 3 Cb 0.50 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1jh4 n LEU 3 CO 0.67 -0.16 -0.02 -0.83 -1.33 0.00 0.00 177.39 175.72 1jh4 s GLY 4 N -3.61 1.29 -0.44 -0.72 0.00 -1.26 -5.08 107.32 97.49 1jh4 s GLY 4 Ca 0.10 -1.27 -0.14 0.00 0.00 0.00 0.00 44.72 43.40 1jh4 s GLY 4 CO 0.62 -1.27 0.35 -1.35 0.00 0.00 0.00 173.10 171.45 1jh4 s SER 5 N -4.02 6.06 -0.08 1.64 1.04 -1.26 -5.04 113.70 112.03 1jh4 s SER 5 Ca 0.36 -1.21 -0.34 0.00 0.48 0.00 0.00 55.95 55.23 1jh4 s SER 5 Cb -0.09 -2.15 -0.12 0.00 0.10 0.00 0.00 66.02 63.76 1jh4 s SER 5 CO 0.29 -0.57 1.87 -2.65 0.98 0.00 0.00 173.24 173.16 1jh4 n PRO 6 N 5.15 2.15 -3.98 4.02 -0.02 -1.26 -4.97 135.00 136.09 1jh4 n PRO 6 Ca -0.12 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 1jh4 n PRO 6 Cb 0.45 -2.63 -0.11 0.00 -0.02 0.00 0.00 33.50 31.19 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 3.93 3.55 0.00 2.45 2.01 -1.26 -4.99 118.68 124.38 1jh4 s LEU 7 Ca 0.92 -0.08 0.07 0.00 0.01 0.00 0.00 54.13 55.06 1jh4 s LEU 7 Cb -0.70 -1.91 -0.23 0.00 0.01 0.00 0.00 46.19 43.35 1jh4 s LEU 7 CO 0.51 0.09 0.84 0.71 1.01 0.00 0.00 176.35 179.51 1jh4 h THR 8 N 5.20 1.11 0.46 5.49 1.35 -1.99 -3.02 112.91 121.52 1jh4 h THR 8 Ca -0.36 -2.89 -0.02 0.00 -0.55 0.00 0.00 66.41 62.59 1jh4 h THR 8 Cb 1.18 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 70.19 1jh4 h THR 8 CO 0.64 0.69 -0.23 0.00 -0.25 0.00 0.00 175.52 176.37 1jh4 h ALA 9 N 0.86 -1.15 -0.24 6.62 0.00 -2.00 -2.18 119.26 121.16 1jh4 h ALA 9 Ca -0.21 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.63 1jh4 h ALA 9 Cb 1.95 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 1jh4 h ALA 9 CO 0.11 -1.11 0.22 0.77 0.00 0.00 0.00 179.25 179.24 1jh4 h SER 10 N -0.63 0.00 -0.01 0.00 0.02 -1.95 -1.57 113.55 109.40 1jh4 h SER 10 Ca -0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1jh4 h SER 10 Cb 0.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 1jh4 h SER 10 CO 0.09 0.00 0.01 0.24 -1.14 0.00 0.00 176.83 176.03 1jh4 h MET 11 N 0.00 0.02 0.63 3.45 2.86 -1.34 0.13 114.93 120.68 1jh4 h MET 11 Ca 0.11 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1jh4 h MET 11 Cb 0.55 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.21 1jh4 h MET 11 CO -0.00 0.14 -0.30 1.25 1.06 0.00 0.00 176.91 179.06 1jh4 h LEU 12 N -0.11 -0.72 -0.27 1.22 7.12 -0.68 -2.09 115.31 119.79 1jh4 h LEU 12 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1jh4 h LEU 12 Cb 0.13 0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1jh4 h LEU 12 CO -0.00 -0.50 0.00 0.00 -0.13 0.00 0.00 178.44 177.81 1jh4 n ALA 13 N -2.47 2.00 -0.01 1.25 0.00 -0.86 -2.76 120.51 117.66 1jh4 n ALA 13 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 1jh4 n ALA 13 Cb 0.35 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.30 1.98 -3.16 0.00 2.88 0.43 -4.61 113.62 110.84 1jh4 n SER 14 Ca 0.00 0.21 -0.24 0.00 -1.33 0.00 0.00 58.87 57.51 1jh4 n SER 14 Cb 0.04 -0.75 -0.05 0.00 -0.75 0.00 0.00 64.21 62.70 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 -2.97 3.34 -0.31 -1.46 0.00 -1.11 -4.97 120.51 113.03 1jh4 n ALA 15 Ca -0.31 -4.09 0.09 0.00 0.00 0.00 0.00 53.44 49.13 1jh4 n ALA 15 Cb 1.05 -0.84 0.21 0.00 0.00 0.00 0.00 19.45 19.87 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 3.44 0.05 0.00 0.00 0.10 -1.82 -2.51 132.00 131.27 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 0.74 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 31.83 1jh4 h PRO 16 CO 0.66 0.03 0.00 -2.30 0.10 0.00 0.00 178.00 176.50 1jh4 n PRO 17 N -5.44 1.96 0.28 1.05 -0.02 -1.26 -4.31 135.00 127.26 1jh4 n PRO 17 Ca 0.18 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 1jh4 n PRO 17 Cb 0.60 0.00 0.68 0.00 -0.02 0.00 0.00 33.50 34.76 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 -1.30 -0.52 3.07 -2.05 -1.28 115.11 113.03 1jh4 h GLN 18 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.63 1jh4 h GLN 18 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.50 1jh4 h GLN 18 CO 0.00 0.00 0.14 0.39 0.09 0.00 0.00 178.83 179.45 1jh4 n GLU 19 N -2.62 1.27 0.00 0.06 1.02 -1.25 -4.36 120.64 114.76 1jh4 n GLU 19 Ca -0.02 -0.60 0.00 0.00 -0.02 0.00 0.00 57.16 56.53 1jh4 n GLU 19 Cb 0.34 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.50 0.00 0.00 3.49 10.64 -0.49 -4.11 117.38 127.42 1jh4 n GLN 20 Ca 0.12 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 1jh4 n GLN 20 Cb 0.65 -0.36 0.00 0.00 -0.86 0.00 0.00 30.24 29.67 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 0.98 0.00 2.61 4.76 -1.26 -4.31 118.16 120.80 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 -1.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1jh4 n LYS 21 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1jh4 n GLN 22 N -0.28 0.00 0.00 1.97 6.02 -1.26 -3.12 117.38 120.71 1jh4 n GLN 22 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1jh4 n GLN 22 Cb 0.10 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1jh4 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jh4 n MET 23 N -1.22 0.00 -0.17 -1.09 0.00 -1.26 -3.05 117.12 110.33 1jh4 n MET 23 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.66 1jh4 n MET 23 Cb 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 33.22 32.70 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 -0.01 1.08 0.00 3.17 -0.00 -1.26 -4.89 117.00 115.09 1jh4 n LEU 24 Ca 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 56.01 54.74 1jh4 n LEU 24 Cb 0.00 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 1jh4 n LEU 24 CO 0.00 -0.57 0.00 0.61 -0.00 0.00 0.00 177.39 177.43 1jh4 n GLY 25 N 3.58 0.49 0.00 1.47 0.00 -1.17 -4.24 105.19 105.32 1jh4 n GLY 25 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1jh4 n GLY 25 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jh4 n GLU 26 N 1.32 0.00 -0.16 1.61 0.00 -1.25 -4.21 120.64 117.95 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 -0.49 0.00 0.00 0.00 0.00 0.00 31.44 30.95 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 -0.32 0.00 0.05 3.44 5.12 -1.26 -4.84 116.66 118.85 1jh4 n ARG 27 Ca 0.00 -0.56 -0.20 0.00 -1.93 0.00 0.00 57.85 55.16 1jh4 n ARG 27 Cb 0.00 -0.43 -0.13 0.00 -1.16 0.00 0.00 32.46 30.74 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 0.61 -0.52 0.55 3.38 -1.89 -3.21 115.31 114.23 1jh4 h LEU 28 Ca 0.00 -0.86 0.10 0.00 0.09 0.00 0.00 57.88 57.22 1jh4 h LEU 28 Cb 1.11 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 1jh4 h LEU 28 CO 0.00 1.41 -0.12 0.15 0.09 0.00 0.00 178.44 179.98 1jh4 h PHE 29 N -0.10 -0.25 -0.48 1.13 3.57 -1.80 0.95 116.94 119.97 1jh4 h PHE 29 Ca -0.14 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1jh4 h PHE 29 Cb 1.63 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 40.52 1jh4 h PHE 29 CO 0.16 -0.21 0.22 -1.35 -2.23 0.00 0.00 178.31 174.90 1jh4 h PRO 30 N 0.01 0.43 -0.15 6.41 0.11 -1.87 1.32 132.00 138.25 1jh4 h PRO 30 Ca 0.25 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 1jh4 h PRO 30 Cb 0.39 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1jh4 h PRO 30 CO -0.53 0.28 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.42 1jh4 h LEU 31 N 0.44 0.31 -0.48 2.35 3.38 -1.12 -2.88 115.31 117.31 1jh4 h LEU 31 Ca 0.22 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 1jh4 h LEU 31 Cb 0.15 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1jh4 h LEU 31 CO -0.17 0.64 -0.13 -0.29 0.09 0.00 0.00 178.44 178.58 1jh4 h ILE 32 N -0.02 1.27 -0.90 1.22 -0.00 0.11 -2.53 117.51 116.65 1jh4 h ILE 32 Ca 0.03 -1.27 0.25 0.00 -0.00 0.00 0.00 64.86 63.88 1jh4 h ILE 32 Cb 0.52 1.10 -0.15 0.00 -0.00 0.00 0.00 36.82 38.29 1jh4 h ILE 32 CO 0.02 0.44 0.23 1.56 -0.00 0.00 0.00 178.15 180.39 1jh4 h GLN 33 N 0.78 0.16 -0.54 2.19 1.08 0.18 2.23 115.11 121.19 1jh4 h GLN 33 Ca 0.12 -0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.37 1jh4 h GLN 33 Cb 0.69 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 1jh4 h GLN 33 CO 0.05 0.11 0.36 0.00 -0.95 0.00 0.00 178.83 178.40 1jh4 h ALA 34 N 1.83 1.85 0.00 3.87 0.00 -1.23 -3.27 119.26 122.31 1jh4 h ALA 34 Ca 0.58 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 55.19 1jh4 h ALA 34 Cb 1.21 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1jh4 h ALA 34 CO -0.70 0.06 -1.87 -1.33 0.00 0.00 0.00 179.25 175.40 1jh4 n MET 35 N -4.47 0.56 -3.51 0.00 2.81 0.38 -5.03 117.12 107.85 1jh4 n MET 35 Ca 0.07 0.29 -0.20 0.00 -1.81 0.00 0.00 57.70 56.05 1jh4 n MET 35 Cb 0.23 -1.51 0.08 0.00 -0.71 0.00 0.00 33.22 31.32 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 -4.35 -2.54 0.00 2.03 8.25 0.66 -4.96 115.22 114.31 1jh4 n HIS 36 Ca -0.38 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1jh4 n HIS 36 Cb 0.73 -5.07 0.00 0.00 1.12 0.00 0.00 29.99 26.77 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 -4.57 0.00 -0.05 -0.41 -0.04 -1.26 -4.69 135.00 123.98 1jh4 n PRO 37 Ca -0.14 0.27 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 1jh4 n PRO 37 Cb 0.62 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.27 0.96 -3.17 0.52 -2.24 -1.26 -5.03 114.28 102.80 1jh4 n THR 38 Ca 0.00 0.28 0.04 0.00 -2.27 0.00 0.00 64.05 62.10 1jh4 n THR 38 Cb 0.00 -2.07 -0.01 0.00 -2.10 0.00 0.00 70.33 66.15 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jh4 s LEU 39 N -6.92 -1.23 0.17 3.22 1.98 -1.26 -5.06 118.68 109.59 1jh4 s LEU 39 Ca -0.16 0.81 -0.18 0.00 -2.89 0.00 0.00 54.13 51.71 1jh4 s LEU 39 Cb 0.02 2.05 0.10 0.00 0.66 0.00 0.00 46.19 49.02 1jh4 s LEU 39 CO 0.24 -0.23 1.64 0.00 -1.89 0.00 0.00 176.35 176.11 1jh4 h ALA 40 N 8.00 0.16 -0.46 5.97 0.00 -1.91 0.59 119.26 131.62 1jh4 h ALA 40 Ca -0.21 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jh4 h ALA 40 Cb 1.16 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1jh4 h ALA 40 CO 0.20 -0.52 0.30 0.78 0.00 0.00 0.00 179.25 180.01 1jh4 h GLY 41 N -0.08 0.64 1.16 0.00 0.00 -1.97 -2.74 103.07 100.08 1jh4 h GLY 41 Ca 0.20 -0.24 -0.25 0.00 0.00 0.00 0.00 47.33 47.04 1jh4 h GLY 41 CO -0.46 0.24 -0.97 0.50 0.00 0.00 0.00 176.54 175.85 1jh4 h LYS 42 N 0.62 0.69 -0.97 4.80 1.79 -1.88 -3.26 116.57 118.35 1jh4 h LYS 42 Ca 0.17 -0.72 0.15 0.00 -2.18 0.00 0.00 60.65 58.07 1jh4 h LYS 42 Cb -0.06 0.20 -0.10 0.00 -1.58 0.00 0.00 32.23 30.69 1jh4 h LYS 42 CO -0.04 1.30 0.58 0.97 -1.08 0.00 0.00 179.45 181.19 1jh4 h ILE 43 N 0.36 0.79 -0.23 1.86 2.10 0.24 -1.99 117.51 120.64 1jh4 h ILE 43 Ca -0.12 -0.28 0.03 0.00 1.08 0.00 0.00 64.86 65.57 1jh4 h ILE 43 Cb 1.63 -0.10 -0.03 0.00 -1.09 0.00 0.00 36.82 37.23 1jh4 h ILE 43 CO 0.19 0.15 0.06 0.74 -1.08 0.00 0.00 178.15 178.22 1jh4 h THR 44 N 0.82 0.92 -0.42 2.19 2.02 -1.53 -1.28 112.91 115.63 1jh4 h THR 44 Ca 0.52 -0.06 0.12 0.00 0.77 0.00 0.00 66.41 67.77 1jh4 h THR 44 Cb 0.69 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1jh4 h THR 44 CO -0.33 0.03 0.32 1.23 0.37 0.00 0.00 175.52 177.14 1jh4 h GLY 45 N 0.16 0.00 0.17 2.16 0.00 -1.45 0.35 103.07 104.46 1jh4 h GLY 45 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1jh4 h GLY 45 CO -0.12 0.00 -0.08 -0.33 0.00 0.00 0.00 176.54 176.01 1jh4 h MET 46 N 0.00 -0.22 -0.04 4.80 2.07 -1.20 -3.28 114.93 117.05 1jh4 h MET 46 Ca 0.20 0.02 0.01 0.00 -2.07 0.00 0.00 59.70 57.86 1jh4 h MET 46 Cb 0.84 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.61 1jh4 h MET 46 CO -0.00 -0.15 0.12 -0.07 1.07 0.00 0.00 176.91 177.88 1jh4 h LEU 47 N -0.93 0.00 -0.49 1.22 -0.00 -1.00 -3.00 115.31 111.11 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 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1jh4 h LEU 47 CO 0.04 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.66 1jh4 n LEU 48 N -3.32 0.00 0.00 1.67 4.32 0.09 -2.74 117.00 117.02 1jh4 n LEU 48 Ca -0.02 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.10 1jh4 n LEU 48 Cb 0.20 0.00 0.67 0.00 -1.62 0.00 0.00 43.42 42.66 1jh4 n LEU 48 CO 0.21 0.00 0.95 1.21 -1.22 0.00 0.00 177.39 178.54 1jh4 n GLU 49 N -0.01 0.37 -3.68 3.23 0.00 -1.13 -4.81 120.64 114.61 1jh4 n GLU 49 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 57.16 56.97 1jh4 n GLU 49 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 29.91 1jh4 n GLU 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1jh4 s ILE 50 N -2.58 2.43 0.44 6.31 2.07 -1.11 -5.11 121.20 123.65 1jh4 s ILE 50 Ca 0.25 -1.41 -0.23 0.00 -1.41 0.00 0.00 60.65 57.85 1jh4 s ILE 50 Cb 0.18 -2.84 -0.08 0.00 0.13 0.00 0.00 42.46 39.84 1jh4 s ILE 50 CO 0.41 0.00 1.07 -0.62 -1.91 0.00 0.00 174.94 173.88 1jh4 s ASP 51 N -4.13 6.52 0.65 4.50 2.15 -1.26 -4.91 116.67 120.19 1jh4 s ASP 51 Ca 0.45 2.06 0.30 0.00 0.43 0.00 0.00 52.55 55.79 1jh4 s ASP 51 Cb -0.02 -2.58 1.64 0.00 -0.30 0.00 0.00 42.92 41.66 1jh4 s ASP 51 CO 0.26 -0.66 1.95 -1.13 -0.17 0.00 0.00 175.17 175.43 1jh4 h ASN 52 N 2.14 0.00 0.70 -0.34 -1.24 -1.99 0.50 115.58 115.34 1jh4 h ASN 52 Ca -0.49 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.41 1jh4 h ASN 52 Cb 1.22 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.26 1jh4 h ASN 52 CO 0.61 0.00 -0.53 -1.28 -1.29 0.00 0.00 177.43 174.94 1jh4 h SER 53 N 0.00 0.00 0.37 1.15 0.87 -2.01 -3.12 113.55 110.81 1jh4 h SER 53 Ca 0.04 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.41 1jh4 h SER 53 Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1jh4 h SER 53 CO -0.00 0.53 -0.80 -0.08 -0.53 0.00 0.00 176.83 175.95 1jh4 h GLU 54 N 0.00 0.33 -0.64 2.24 4.22 -1.26 -3.13 114.58 116.34 1jh4 h GLU 54 Ca -0.01 -0.31 -0.03 0.00 0.08 0.00 0.00 59.36 59.10 1jh4 h GLU 54 Cb 1.02 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 1jh4 h GLU 54 CO 0.07 0.97 0.29 -0.07 -2.18 0.00 0.00 179.01 178.09 1jh4 h LEU 55 N 0.21 0.85 -1.48 1.64 4.07 -1.57 -1.56 115.31 117.48 1jh4 h LEU 55 Ca -0.04 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 57.79 1jh4 h LEU 55 Cb 1.40 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.89 1jh4 h LEU 55 CO 0.13 0.76 0.37 -0.07 -1.08 0.00 0.00 178.44 178.55 1jh4 h LEU 56 N 0.89 0.60 -0.06 1.67 3.38 -1.54 -0.78 115.31 119.48 1jh4 h LEU 56 Ca 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1jh4 h LEU 56 Cb 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jh4 h LEU 56 CO -0.02 0.43 -0.02 0.45 0.09 0.00 0.00 178.44 179.37 1jh4 h HIS 57 N 0.71 0.13 -0.45 1.13 3.86 -1.31 -2.84 115.15 116.38 1jh4 h HIS 57 Ca 0.21 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1jh4 h HIS 57 Cb -0.02 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1jh4 h HIS 57 CO -0.00 0.46 0.21 0.00 0.86 0.00 0.00 177.93 179.46 1jh4 h MET 58 N -0.23 0.66 -0.01 2.45 -0.00 -0.86 -0.07 114.93 116.87 1jh4 h MET 58 Ca 0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1jh4 h MET 58 Cb 0.42 -0.12 -0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1jh4 h MET 58 CO 0.01 0.57 0.02 1.25 -0.00 0.00 0.00 176.91 178.75 1jh4 h LEU 59 N 0.59 0.00 -0.08 -0.10 6.46 -1.19 0.43 115.31 121.42 1jh4 h LEU 59 Ca 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1jh4 h LEU 59 Cb 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1jh4 h LEU 59 CO -0.02 0.00 -0.71 -0.62 -0.62 0.00 0.00 178.44 176.47 1jh4 n GLU 60 N -3.36 0.11 -3.51 1.25 -0.58 -0.50 -4.77 120.64 109.28 1jh4 n GLU 60 Ca -0.03 -0.08 -0.25 0.00 -0.42 0.00 0.00 57.16 56.39 1jh4 n GLU 60 Cb 0.09 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.33 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1jh4 s SER 61 N -2.95 2.73 0.50 1.62 1.04 0.15 -5.01 113.70 111.78 1jh4 s SER 61 Ca 0.11 -0.98 0.25 0.00 0.48 0.00 0.00 55.95 55.81 1jh4 s SER 61 Cb 0.17 -0.06 1.32 0.00 0.10 0.00 0.00 66.02 67.55 1jh4 s SER 61 CO 0.76 -0.41 1.92 -0.65 0.98 0.00 0.00 173.24 175.85 1jh4 h PRO 62 N 8.37 0.13 0.16 4.02 0.11 -1.86 -0.13 132.00 142.80 1jh4 h PRO 62 Ca -0.17 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.94 1jh4 h PRO 62 Cb 1.06 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1jh4 h PRO 62 CO 0.38 0.09 -0.22 1.05 -0.21 0.00 0.00 178.00 179.08 1jh4 h GLU 63 N 0.14 -0.43 0.02 1.05 4.11 -1.95 0.17 114.58 117.68 1jh4 h GLU 63 Ca 0.37 0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.62 1jh4 h GLU 63 Cb 1.25 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1jh4 h GLU 63 CO -0.05 -0.29 -0.94 0.77 0.07 0.00 0.00 179.01 178.57 1jh4 h SER 64 N -0.45 0.17 0.34 3.06 0.02 -1.74 -2.99 113.55 111.96 1jh4 h SER 64 Ca 0.01 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1jh4 h SER 64 Cb 0.44 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1jh4 h SER 64 CO -0.09 1.01 -0.23 0.25 -1.14 0.00 0.00 176.83 176.63 1jh4 h LEU 65 N 0.06 -0.60 -2.30 5.07 7.12 -0.75 -2.16 115.31 121.74 1jh4 h LEU 65 Ca -0.04 0.04 0.02 0.00 0.13 0.00 0.00 57.88 58.03 1jh4 h LEU 65 Cb 1.61 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 41.92 1jh4 h LEU 65 CO 0.14 -0.34 0.08 -0.09 -0.13 0.00 0.00 178.44 178.09 1jh4 h ARG 66 N -0.54 0.00 -0.27 1.25 1.12 -1.10 -2.02 114.38 112.82 1jh4 h ARG 66 Ca -0.04 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.87 1jh4 h ARG 66 Cb 0.44 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.36 1jh4 h ARG 66 CO 0.03 0.00 0.01 1.03 -3.11 0.00 0.00 179.97 177.93 1jh4 h SER 67 N 0.00 -0.08 0.03 -3.80 0.87 -1.24 0.35 113.55 109.67 1jh4 h SER 67 Ca 0.04 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1jh4 h SER 67 Cb 0.19 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1jh4 h SER 67 CO -0.00 -0.01 -0.35 0.11 -0.53 0.00 0.00 176.83 176.05 1jh4 h LYS 68 N 0.10 0.06 0.29 2.24 1.79 -0.93 -3.16 116.57 116.96 1jh4 h LYS 68 Ca 0.13 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1jh4 h LYS 68 Cb 0.16 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1jh4 h LYS 68 CO -0.21 1.05 -0.27 0.28 -1.08 0.00 0.00 179.45 179.22 1jh4 h VAL 69 N -0.87 0.43 -0.26 0.50 2.07 -1.41 -1.02 116.25 115.70 1jh4 h VAL 69 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1jh4 h VAL 69 Cb 1.18 0.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 1jh4 h VAL 69 CO 0.00 0.00 -0.46 -0.78 0.02 0.00 0.00 177.57 176.35 1jh4 h ASP 70 N -0.58 -1.48 -0.76 0.57 1.82 -0.47 0.87 116.42 116.39 1jh4 h ASP 70 Ca -0.01 0.20 0.17 0.00 -0.39 0.00 0.00 57.03 57.00 1jh4 h ASP 70 Cb 0.53 0.61 -0.11 0.00 0.68 0.00 0.00 39.33 41.04 1jh4 h ASP 70 CO -0.05 -0.41 0.18 -0.33 -1.61 0.00 0.00 179.24 177.02 1jh4 h GLU 71 N -0.44 0.25 -0.72 0.28 3.07 -1.48 0.87 114.58 116.41 1jh4 h GLU 71 Ca 0.09 -0.02 0.13 0.00 -0.50 0.00 0.00 59.36 59.07 1jh4 h GLU 71 Cb 0.62 -0.06 -0.13 0.00 -0.84 0.00 0.00 28.75 28.34 1jh4 h GLU 71 CO -0.49 0.17 -0.28 0.00 -1.40 0.00 0.00 179.01 177.01 1jh4 h ALA 72 N 1.64 0.21 -0.93 3.43 0.00 0.54 0.54 119.26 124.68 1jh4 h ALA 72 Ca 0.43 0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.74 1jh4 h ALA 72 Cb 0.76 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 19.18 1jh4 h ALA 72 CO -0.53 -0.56 0.54 0.28 0.00 0.00 0.00 179.25 178.98 1jh4 h VAL 73 N -0.07 0.75 0.28 0.00 2.07 -0.28 1.00 116.25 119.99 1jh4 h VAL 73 Ca 0.31 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1jh4 h VAL 73 Cb 0.56 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1jh4 h VAL 73 CO -0.77 0.13 -0.14 0.00 0.02 0.00 0.00 177.57 176.82 1jh4 h ALA 74 N 1.59 -0.38 0.57 1.67 0.00 0.07 -2.88 119.26 119.89 1jh4 h ALA 74 Ca 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1jh4 h ALA 74 Cb 0.72 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1jh4 h ALA 74 CO -0.36 -0.38 -0.27 -0.24 0.00 0.00 0.00 179.25 178.00 1jh4 h VAL 75 N -1.05 0.00 -0.32 0.00 3.04 -0.15 -2.81 116.25 114.96 1jh4 h VAL 75 Ca -0.04 -0.03 0.07 0.00 -1.01 0.00 0.00 66.70 65.69 1jh4 h VAL 75 Cb 0.40 0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 29.60 1jh4 h VAL 75 CO 0.06 0.00 -0.25 0.25 -1.01 0.00 0.00 177.57 176.62 1jh4 h LEU 76 N -0.79 -0.83 -1.64 3.16 6.46 0.84 0.98 115.31 123.50 1jh4 h LEU 76 Ca -0.08 0.16 0.24 0.00 -0.12 0.00 0.00 57.88 58.08 1jh4 h LEU 76 Cb 0.58 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 40.85 1jh4 h LEU 76 CO 0.13 -0.28 0.63 -0.61 -0.62 0.00 0.00 178.44 177.69 1jh4 h GLN 77 N -0.22 0.27 0.00 1.25 4.15 -1.50 0.44 115.11 119.49 1jh4 h GLN 77 Ca 0.16 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.54 1jh4 h GLN 77 Cb 0.48 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1jh4 h GLN 77 CO -0.45 0.18 -0.16 0.00 -1.93 0.00 0.00 178.83 176.47 1jh4 h ALA 78 N 1.59 0.03 0.00 3.38 0.00 -0.37 -3.32 119.26 120.55 1jh4 h ALA 78 Ca 0.48 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1jh4 h ALA 78 Cb 1.43 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1jh4 h ALA 78 CO -0.14 0.11 0.00 0.72 0.00 0.00 0.00 179.25 179.93 1jh4 n HIS 79 N -4.66 0.00 1.34 0.00 8.25 0.31 -2.37 115.22 118.08 1jh4 n HIS 79 Ca -0.08 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.49 1jh4 n HIS 79 Cb 0.30 -0.28 0.64 0.00 1.12 0.00 0.00 29.99 31.77 1jh4 n HIS 79 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1jh4 n GLN 80 N -1.28 0.66 -1.65 -0.41 6.02 0.15 -4.86 117.38 116.01 1jh4 n GLN 80 Ca 0.04 0.00 -0.57 0.00 -0.01 0.00 0.00 57.00 56.46 1jh4 n GLN 80 Cb 0.06 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.75 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jh4 n ALA 81 N -1.01 -0.94 -1.12 -1.58 0.00 -1.00 -4.92 120.51 109.94 1jh4 n ALA 81 Ca 0.16 0.47 -0.30 0.00 0.00 0.00 0.00 53.44 53.77 1jh4 n ALA 81 Cb 0.08 -2.09 0.15 0.00 0.00 0.00 0.00 19.45 17.58 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jh4 s LYS 82 N 2.08 1.02 0.83 0.00 1.02 -1.26 -5.05 119.74 118.38 1jh4 s LYS 82 Ca 0.94 0.84 -0.06 0.00 0.02 0.00 0.00 55.97 57.71 1jh4 s LYS 82 Cb -1.10 -1.78 0.17 0.00 -0.52 0.00 0.00 37.83 34.60 1jh4 s LYS 82 CO 0.60 -2.41 1.14 -1.83 -0.92 0.00 0.00 175.35 171.93 1jh4 s GLU 83 N -4.88 1.15 -0.74 1.68 4.04 -1.26 -4.92 118.70 113.76 1jh4 s GLU 83 Ca 0.64 -0.96 -0.26 0.00 0.04 0.00 0.00 54.97 54.43 1jh4 s GLU 83 Cb -0.19 -2.15 -0.12 0.00 0.02 0.00 0.00 34.13 31.70 1jh4 s GLU 83 CO 0.58 -1.90 2.36 0.00 -1.84 0.00 0.00 175.26 174.46 1jh4 s ALA 84 N -3.45 0.96 -0.40 -0.84 0.00 -1.26 -4.87 121.76 111.91 1jh4 s ALA 84 Ca 0.71 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 51.68 1jh4 s ALA 84 Cb -0.04 -4.53 -0.04 0.00 0.00 0.00 0.00 23.12 18.51 1jh4 s ALA 84 CO 0.48 -5.54 2.07 0.00 0.00 0.00 0.00 175.76 172.77 1jh4 s ALA 85 N 13.86 2.39 0.00 0.00 0.00 -1.26 -4.85 121.76 131.90 1jh4 s ALA 85 Ca 0.91 0.15 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1jh4 s ALA 85 Cb -0.13 -4.17 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1jh4 s ALA 85 CO 0.11 -3.38 0.00 0.94 0.00 0.00 0.00 175.76 173.43 1jh4 n GLN 86 N 8.81 0.00 -2.14 0.00 -0.06 -1.26 -4.68 117.38 118.04 1jh4 n GLN 86 Ca 0.28 0.08 -0.42 0.00 -2.00 0.00 0.00 57.00 54.93 1jh4 n GLN 86 Cb 0.49 -0.41 0.00 0.00 -4.06 0.00 0.00 30.24 26.27 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1jh4 n LYS 87 N -1.77 3.31 -2.16 3.69 4.81 -1.26 -4.94 118.16 119.84 1jh4 n LYS 87 Ca 0.00 -3.19 -0.39 0.00 -0.87 0.00 0.00 58.31 53.86 1jh4 n LYS 87 Cb 0.00 -3.09 -0.03 0.00 0.02 0.00 0.00 35.03 31.93 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jh4 s ALA 88 N 1.62 2.38 -0.98 3.14 0.00 -1.26 -4.93 121.76 121.73 1jh4 s ALA 88 Ca 0.43 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1jh4 s ALA 88 Cb 0.11 -4.26 0.24 0.00 0.00 0.00 0.00 23.12 19.21 1jh4 s ALA 88 CO -0.03 -3.61 0.98 0.14 0.00 0.00 0.00 175.76 173.24 1jh4 s VAL 89 N 8.07 5.70 -0.45 0.00 -7.23 -1.26 -5.00 120.40 120.23 1jh4 s VAL 89 Ca 0.61 -2.85 -0.16 0.00 -1.81 0.00 0.00 61.98 57.77 1jh4 s VAL 89 Cb -0.12 -4.57 0.05 0.00 0.56 0.00 0.00 36.38 32.29 1jh4 s VAL 89 CO 0.21 -1.16 0.40 0.21 -0.31 0.00 0.00 175.10 174.45 1jh4 s ASN 90 N 1.91 6.15 -0.59 4.85 3.04 -1.26 -5.03 114.94 124.02 1jh4 s ASN 90 Ca 0.26 -1.06 -0.16 0.00 0.04 0.00 0.00 52.86 51.93 1jh4 s ASN 90 Cb -0.09 -2.20 0.14 0.00 -1.54 0.00 0.00 41.25 37.56 1jh4 s ASN 90 CO -0.08 -0.61 0.56 -0.44 -3.04 0.00 0.00 177.10 173.49 1jh4 s SER 91 N 2.24 6.27 0.00 -4.21 0.01 -1.26 -4.94 113.70 111.81 1jh4 s SER 91 Ca 0.07 -1.89 0.00 0.00 1.31 0.00 0.00 55.95 55.44 1jh4 s SER 91 Cb -0.21 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1jh4 s SER 91 CO 0.09 -0.84 0.00 0.00 0.41 0.00 0.00 173.24 172.90 1jh4 n ALA 92 N 5.18 0.00 0.87 1.44 0.00 -1.26 -4.70 120.51 122.04 1jh4 n ALA 92 Ca -0.09 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1jh4 n ALA 92 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 1jh4 n ALA 92 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1jh4 n THR 93 N -0.98 0.04 -2.21 0.00 5.66 -1.26 -4.95 114.28 110.58 1jh4 n THR 93 Ca 0.00 -0.07 -0.22 0.00 -3.05 0.00 0.00 64.05 60.71 1jh4 n THR 93 Cb 0.00 0.52 0.13 0.00 -1.55 0.00 0.00 70.33 69.43 1jh4 n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1jh4 n GLY 94 N 1.46 -0.29 3.40 1.09 0.00 -1.26 -5.07 105.19 104.53 1jh4 n GLY 94 Ca 0.04 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 1jh4 n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jh4 s VAL 95 N -3.00 4.29 0.00 1.61 -7.23 -1.26 -4.94 120.40 109.88 1jh4 s VAL 95 Ca 0.60 -0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1jh4 s VAL 95 Cb -0.03 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1jh4 s VAL 95 CO 0.41 0.13 0.00 -0.81 -0.31 0.00 0.00 175.10 174.51 1jh4 n PRO 96 N 4.93 1.25 -2.61 4.82 -0.04 -1.26 -4.97 135.00 137.12 1jh4 n PRO 96 Ca -0.15 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.92 1jh4 n PRO 96 Cb 0.49 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.90 1jh4 n PRO 96 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jh4 s THR 97 N 0.00 3.80 0.00 0.52 -4.23 -1.26 -5.18 115.64 109.29 1jh4 s THR 97 Ca 0.00 1.68 0.00 0.00 -1.18 0.00 0.00 61.69 62.19 1jh4 s THR 97 Cb 0.00 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.82 1jh4 s THR 97 CO 0.00 0.31 0.46 0.55 -0.54 0.00 0.00 174.62 175.39