#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 n PRO 2 N 0.00 -0.37 -0.08 1.61 -0.04 -1.26 -5.01 135.00 129.85 1jh4 n PRO 2 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1jh4 n PRO 2 Cb 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.32 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 1.37 -2.17 1.53 4.77 -1.26 -4.39 117.00 116.84 1jh4 n LEU 3 Ca 0.00 0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.79 1jh4 n LEU 3 Cb 0.00 -0.18 0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1jh4 n LEU 3 CO 0.00 0.66 1.36 0.61 -1.33 0.00 0.00 177.39 178.69 1jh4 n GLY 4 N 1.90 4.67 0.08 -0.72 0.00 -1.26 -4.49 105.19 105.37 1jh4 n GLY 4 Ca -0.34 -1.62 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1jh4 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1jh4 h SER 5 N 1.97 0.15 -1.33 1.61 0.87 -1.97 -3.44 113.55 111.40 1jh4 h SER 5 Ca 0.40 -0.86 -0.60 0.00 -1.23 0.00 0.00 61.79 59.50 1jh4 h SER 5 Cb 0.80 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1jh4 h SER 5 CO 1.03 0.99 1.50 -2.65 -0.53 0.00 0.00 176.83 177.17 1jh4 n PRO 6 N -4.53 1.22 -2.92 2.24 -0.02 -1.26 -4.93 135.00 124.80 1jh4 n PRO 6 Ca -0.10 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.26 1jh4 n PRO 6 Cb 0.51 -2.77 -0.05 0.00 -0.02 0.00 0.00 33.50 31.17 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 8.59 4.53 -0.04 2.45 2.01 -1.26 -4.98 118.68 129.98 1jh4 s LEU 7 Ca 1.07 1.62 -0.02 0.00 0.01 0.00 0.00 54.13 56.81 1jh4 s LEU 7 Cb -0.63 -3.34 -0.27 0.00 0.01 0.00 0.00 46.19 41.96 1jh4 s LEU 7 CO 0.41 0.09 0.68 0.71 1.01 0.00 0.00 176.35 179.25 1jh4 h THR 8 N 3.73 0.95 0.00 5.49 1.35 -1.98 -2.95 112.91 119.49 1jh4 h THR 8 Ca -0.45 -2.64 -0.00 0.00 -0.55 0.00 0.00 66.41 62.77 1jh4 h THR 8 Cb 1.21 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1jh4 h THR 8 CO 0.69 0.79 -0.00 0.00 -0.25 0.00 0.00 175.52 176.75 1jh4 h ALA 9 N 0.43 -0.95 -0.09 6.62 0.00 -2.01 -2.54 119.26 120.71 1jh4 h ALA 9 Ca -0.31 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1jh4 h ALA 9 Cb 2.03 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 1jh4 h ALA 9 CO 0.13 -0.95 0.15 0.66 0.00 0.00 0.00 179.25 179.24 1jh4 h SER 10 N -0.01 0.00 -0.67 0.00 4.64 -1.98 -1.01 113.55 114.52 1jh4 h SER 10 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1jh4 h SER 10 Cb 0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 1jh4 h SER 10 CO 0.00 0.00 0.28 0.00 -0.87 0.00 0.00 176.83 176.24 1jh4 h MET 11 N 0.00 0.99 0.42 4.77 -0.00 -1.32 -0.48 114.93 119.31 1jh4 h MET 11 Ca 0.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 59.70 59.56 1jh4 h MET 11 Cb 0.34 -0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 1jh4 h MET 11 CO -0.00 0.82 -0.29 1.25 -0.00 0.00 0.00 176.91 178.68 1jh4 h LEU 12 N 0.94 -0.75 0.00 -0.10 7.12 -0.76 -0.72 115.31 121.04 1jh4 h LEU 12 Ca 0.22 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1jh4 h LEU 12 Cb 0.19 0.23 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1jh4 h LEU 12 CO -0.02 -0.45 0.00 0.00 -0.13 0.00 0.00 178.44 177.84 1jh4 n ALA 13 N -2.52 2.11 -0.12 1.25 0.00 -1.11 -2.26 120.51 117.86 1jh4 n ALA 13 Ca -0.11 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1jh4 n ALA 13 Cb 0.32 -1.13 0.29 0.00 0.00 0.00 0.00 19.45 18.93 1jh4 n ALA 13 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jh4 n SER 14 N -0.72 3.81 -4.02 0.00 7.64 -0.21 -4.93 113.62 115.19 1jh4 n SER 14 Ca 0.06 -2.00 -0.14 0.00 1.01 0.00 0.00 58.87 57.80 1jh4 n SER 14 Cb 0.03 -0.40 -0.13 0.00 -1.01 0.00 0.00 64.21 62.70 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 s ALA 15 N -1.19 0.50 0.82 -0.43 0.00 -0.96 -5.04 121.76 115.46 1jh4 s ALA 15 Ca 0.46 -0.53 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 1jh4 s ALA 15 Cb 0.25 -0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.41 1jh4 s ALA 15 CO 0.33 0.03 -0.01 -0.35 0.00 0.00 0.00 175.76 175.76 1jh4 n PRO 16 N 2.10 -1.15 0.00 0.00 -0.04 -1.26 -4.67 135.00 129.98 1jh4 n PRO 16 Ca -0.19 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 1jh4 n PRO 16 Cb 0.56 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1jh4 n PRO 16 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1jh4 n PRO 17 N 0.10 0.00 0.31 0.54 -0.02 -1.26 -1.94 135.00 132.74 1jh4 n PRO 17 Ca 0.03 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 62.15 1jh4 n PRO 17 Cb 0.27 -1.17 0.96 0.00 -0.02 0.00 0.00 33.50 33.54 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 -1.60 -0.52 -0.00 -2.02 -1.99 115.11 108.97 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 0.16 0.39 -0.00 0.00 0.00 178.83 179.38 1jh4 n GLU 19 N -2.87 1.31 0.00 0.06 1.02 -0.82 -4.48 120.64 114.87 1jh4 n GLU 19 Ca -0.02 -0.63 0.00 0.00 -0.02 0.00 0.00 57.16 56.48 1jh4 n GLU 19 Cb 0.19 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.81 0.00 0.00 3.49 10.64 -0.75 -4.06 117.38 127.51 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 0.58 -0.48 0.00 0.00 -0.86 0.00 0.00 30.24 29.48 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 -0.24 0.96 0.28 2.61 5.02 -1.26 -4.23 118.16 121.29 1jh4 n LYS 21 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1jh4 n LYS 21 Cb 0.00 -1.30 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1jh4 h GLN 22 N 0.02 -0.69 0.00 1.97 -0.00 -1.76 -3.12 115.11 111.53 1jh4 h GLN 22 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1jh4 h GLN 22 Cb 0.30 0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.93 1jh4 h GLN 22 CO 0.00 -0.46 0.00 -1.33 0.00 0.00 0.00 178.83 177.04 1jh4 n MET 23 N -4.19 0.00 -0.18 1.69 2.81 -1.26 -3.52 117.12 112.47 1jh4 n MET 23 Ca -0.09 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.76 1jh4 n MET 23 Cb 0.28 -0.50 -0.02 0.00 -0.71 0.00 0.00 33.22 32.27 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 1.08 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.96 1jh4 n LEU 24 Ca 0.00 -1.19 0.00 0.00 -0.00 0.00 0.00 56.01 54.82 1jh4 n LEU 24 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 1jh4 n LEU 24 CO 0.00 -0.39 0.00 0.61 -0.00 0.00 0.00 177.39 177.61 1jh4 n GLY 25 N 3.36 0.54 0.00 1.47 0.00 -1.18 -4.09 105.19 105.28 1jh4 n GLY 25 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 5.87 0.00 -0.16 1.61 0.00 -1.26 -4.34 120.64 122.37 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 -0.35 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 -0.22 0.09 -0.02 3.44 5.12 -1.26 -4.89 116.66 118.92 1jh4 n ARG 27 Ca 0.00 -0.71 -0.16 0.00 -1.93 0.00 0.00 57.85 55.06 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 0.26 -0.68 0.55 3.38 -1.90 -3.21 115.31 113.71 1jh4 h LEU 28 Ca 0.00 -0.79 0.15 0.00 0.09 0.00 0.00 57.88 57.33 1jh4 h LEU 28 Cb 1.12 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.67 1jh4 h LEU 28 CO 0.00 1.01 0.02 0.15 0.09 0.00 0.00 178.44 179.72 1jh4 h PHE 29 N -0.47 -0.00 -0.44 1.13 3.57 -1.79 0.77 116.94 119.70 1jh4 h PHE 29 Ca -0.04 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1jh4 h PHE 29 Cb 1.06 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 1jh4 h PHE 29 CO 0.18 -0.18 0.27 -1.35 -2.23 0.00 0.00 178.31 175.00 1jh4 h PRO 30 N 0.13 0.53 -0.17 6.41 0.11 -1.87 0.98 132.00 138.13 1jh4 h PRO 30 Ca 0.36 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.35 1jh4 h PRO 30 Cb 0.61 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1jh4 h PRO 30 CO -0.57 0.35 -0.26 -0.07 -0.21 0.00 0.00 178.00 177.25 1jh4 h LEU 31 N 0.55 0.53 -0.44 2.35 3.38 -1.16 -2.98 115.31 117.54 1jh4 h LEU 31 Ca 0.17 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1jh4 h LEU 31 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1jh4 h LEU 31 CO -0.07 0.95 -0.07 -0.29 0.09 0.00 0.00 178.44 179.05 1jh4 h ILE 32 N 0.12 1.27 -0.90 1.22 -0.00 0.60 -2.56 117.51 117.26 1jh4 h ILE 32 Ca 0.02 -1.15 0.24 0.00 -0.00 0.00 0.00 64.86 63.96 1jh4 h ILE 32 Cb 0.83 1.11 -0.13 0.00 -0.00 0.00 0.00 36.82 38.63 1jh4 h ILE 32 CO 0.06 0.39 0.36 -0.61 -0.00 0.00 0.00 178.15 178.35 1jh4 h GLN 33 N 0.66 0.30 -0.43 2.19 4.15 0.10 2.26 115.11 124.36 1jh4 h GLN 33 Ca 0.12 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.57 1jh4 h GLN 33 Cb 0.59 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1jh4 h GLN 33 CO 0.04 0.20 0.29 0.00 -1.93 0.00 0.00 178.83 177.42 1jh4 h ALA 34 N 1.76 1.90 0.00 3.38 0.00 -1.30 -3.26 119.26 121.75 1jh4 h ALA 34 Ca 0.58 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.16 1jh4 h ALA 34 Cb 1.17 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1jh4 h ALA 34 CO -0.59 0.03 -2.00 -1.33 0.00 0.00 0.00 179.25 175.36 1jh4 n MET 35 N -4.48 0.57 -3.59 0.00 2.81 0.29 -5.03 117.12 107.68 1jh4 n MET 35 Ca 0.05 0.27 -0.20 0.00 -1.81 0.00 0.00 57.70 56.01 1jh4 n MET 35 Cb 0.21 -1.49 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 -4.33 -2.10 0.00 2.03 8.25 0.69 -4.96 115.22 114.80 1jh4 n HIS 36 Ca -0.41 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1jh4 n HIS 36 Cb 0.76 -4.71 0.00 0.00 1.12 0.00 0.00 29.99 27.16 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 -4.27 0.00 -0.10 -0.41 -0.04 -1.26 -4.71 135.00 124.21 1jh4 n PRO 37 Ca -0.26 0.37 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1jh4 n PRO 37 Cb 0.66 -1.24 -0.05 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.60 1.50 -3.15 0.52 -2.24 -1.26 -5.03 114.28 103.01 1jh4 n THR 38 Ca 0.00 0.02 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 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 -0.22 -0.57 0.00 0.00 175.07 174.28 1jh4 s LEU 39 N -7.87 -0.78 0.19 3.22 0.20 -1.26 -5.04 118.68 107.34 1jh4 s LEU 39 Ca -0.29 0.50 -0.15 0.00 0.69 0.00 0.00 54.13 54.88 1jh4 s LEU 39 Cb 0.06 1.66 0.17 0.00 -0.43 0.00 0.00 46.19 47.65 1jh4 s LEU 39 CO 0.42 -0.15 1.65 0.00 -0.29 0.00 0.00 176.35 177.99 1jh4 h ALA 40 N 8.00 0.36 -0.37 5.97 0.00 -1.91 0.87 119.26 132.18 1jh4 h ALA 40 Ca -0.17 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jh4 h ALA 40 Cb 1.17 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1jh4 h ALA 40 CO 0.03 -0.43 0.18 0.78 0.00 0.00 0.00 179.25 179.80 1jh4 h GLY 41 N 0.02 0.56 1.07 0.00 0.00 -1.97 -2.80 103.07 99.96 1jh4 h GLY 41 Ca 0.25 -0.28 -0.26 0.00 0.00 0.00 0.00 47.33 47.04 1jh4 h GLY 41 CO -0.51 0.27 -1.10 0.50 0.00 0.00 0.00 176.54 175.69 1jh4 h LYS 42 N 0.45 0.54 -0.96 4.80 1.79 -1.85 -3.29 116.57 118.05 1jh4 h LYS 42 Ca 0.13 -0.74 0.16 0.00 -2.18 0.00 0.00 60.65 58.02 1jh4 h LYS 42 Cb 0.12 0.25 -0.09 0.00 -1.58 0.00 0.00 32.23 30.93 1jh4 h LYS 42 CO -0.02 1.33 0.61 0.82 -1.08 0.00 0.00 179.45 181.11 1jh4 h ILE 43 N 0.10 0.81 -0.34 1.86 2.04 0.71 -1.37 117.51 121.33 1jh4 h ILE 43 Ca -0.17 -0.27 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1jh4 h ILE 43 Cb 1.81 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 1jh4 h ILE 43 CO 0.21 0.14 0.19 0.74 0.00 0.00 0.00 178.15 179.43 1jh4 h THR 44 N 0.78 1.02 -0.46 -0.27 2.02 -1.56 -2.03 112.91 112.41 1jh4 h THR 44 Ca 0.51 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 67.69 1jh4 h THR 44 Cb 0.75 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1jh4 h THR 44 CO -0.27 0.07 0.33 1.23 0.37 0.00 0.00 175.52 177.25 1jh4 h GLY 45 N 0.38 0.02 0.18 2.16 0.00 -1.32 -0.09 103.07 104.40 1jh4 h GLY 45 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1jh4 h GLY 45 CO -0.08 0.00 -0.08 -0.33 0.00 0.00 0.00 176.54 176.05 1jh4 h MET 46 N 0.01 -0.23 -0.04 4.80 2.07 -1.31 -3.28 114.93 116.96 1jh4 h MET 46 Ca 0.22 0.02 0.01 0.00 -2.07 0.00 0.00 59.70 57.87 1jh4 h MET 46 Cb 0.86 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.64 1jh4 h MET 46 CO -0.00 -0.13 0.10 -0.07 1.07 0.00 0.00 176.91 177.88 1jh4 h LEU 47 N -1.06 0.00 -0.60 1.22 -0.00 -1.14 -2.92 115.31 110.80 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 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.86 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 -0.07 -2.87 117.00 116.74 1jh4 n LEU 48 Ca -0.02 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.08 1jh4 n LEU 48 Cb 0.18 0.00 0.50 0.00 -1.62 0.00 0.00 43.42 42.48 1jh4 n LEU 48 CO 0.22 0.00 0.84 -1.84 -1.22 0.00 0.00 177.39 175.39 1jh4 n GLU 49 N 0.08 0.16 -3.76 3.23 -0.00 -1.11 -4.79 120.64 114.46 1jh4 n GLU 49 Ca 0.00 0.11 -0.24 0.00 -0.00 0.00 0.00 57.16 57.03 1jh4 n GLU 49 Cb 0.00 -1.50 -0.02 0.00 -0.00 0.00 0.00 31.44 29.92 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 -2.77 2.13 0.42 3.84 1.10 -1.14 -5.11 121.20 119.66 1jh4 s ILE 50 Ca 0.16 -1.44 -0.23 0.00 -0.51 0.00 0.00 60.65 58.62 1jh4 s ILE 50 Cb 0.14 -2.57 -0.09 0.00 0.15 0.00 0.00 42.46 40.10 1jh4 s ILE 50 CO 0.36 0.00 1.07 -0.62 -2.11 0.00 0.00 174.94 173.64 1jh4 s ASP 51 N -4.19 6.60 0.60 4.50 2.15 -1.26 -4.90 116.67 120.16 1jh4 s ASP 51 Ca 0.41 2.08 0.28 0.00 0.43 0.00 0.00 52.55 55.76 1jh4 s ASP 51 Cb -0.02 -2.59 1.32 0.00 -0.30 0.00 0.00 42.92 41.34 1jh4 s ASP 51 CO 0.25 -0.60 1.72 -1.13 -0.17 0.00 0.00 175.17 175.23 1jh4 h ASN 52 N 2.32 0.00 0.89 -0.34 -0.73 -1.99 0.40 115.58 116.13 1jh4 h ASN 52 Ca -0.49 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 57.62 1jh4 h ASN 52 Cb 1.22 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.80 1jh4 h ASN 52 CO 0.62 0.00 -0.32 0.77 -0.37 0.00 0.00 177.43 178.13 1jh4 h SER 53 N 0.00 0.00 -0.04 1.15 4.64 -2.01 -3.12 113.55 114.17 1jh4 h SER 53 Ca 0.30 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.39 1jh4 h SER 53 Cb 1.70 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.81 1jh4 h SER 53 CO -0.00 0.32 -0.85 -0.08 -0.87 0.00 0.00 176.83 175.34 1jh4 h GLU 54 N 0.00 0.65 -0.11 4.77 4.22 -0.54 -3.08 114.58 120.48 1jh4 h GLU 54 Ca -0.00 -0.65 -0.04 0.00 0.08 0.00 0.00 59.36 58.75 1jh4 h GLU 54 Cb 0.85 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1jh4 h GLU 54 CO 0.04 1.25 -0.10 -0.07 -2.18 0.00 0.00 179.01 177.95 1jh4 h LEU 55 N 0.30 0.15 -0.78 1.64 4.07 -1.58 -1.60 115.31 117.51 1jh4 h LEU 55 Ca -0.09 -0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.74 1jh4 h LEU 55 Cb 1.51 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.20 1jh4 h LEU 55 CO 0.17 0.28 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.60 1jh4 h LEU 56 N 0.16 0.76 -0.04 1.67 3.38 -1.53 0.02 115.31 119.73 1jh4 h LEU 56 Ca 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1jh4 h LEU 56 Cb 0.29 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1jh4 h LEU 56 CO 0.02 0.92 -0.00 0.45 0.09 0.00 0.00 178.44 179.91 1jh4 h HIS 57 N 0.69 0.08 -0.40 1.13 3.86 -1.23 -2.86 115.15 116.42 1jh4 h HIS 57 Ca 0.11 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1jh4 h HIS 57 Cb 0.63 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1jh4 h HIS 57 CO 0.03 0.36 -0.09 0.00 0.86 0.00 0.00 177.93 179.09 1jh4 h MET 58 N -0.22 0.69 0.00 2.45 -0.00 -1.33 -2.35 114.93 114.16 1jh4 h MET 58 Ca 0.01 -0.21 -0.00 0.00 -0.00 0.00 0.00 59.70 59.50 1jh4 h MET 58 Cb 0.33 -0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1jh4 h MET 58 CO 0.00 0.77 -0.01 1.25 -0.00 0.00 0.00 176.91 178.92 1jh4 h LEU 59 N 0.63 0.00 -1.53 -0.10 6.46 -0.89 0.10 115.31 119.97 1jh4 h LEU 59 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1jh4 h LEU 59 Cb 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.46 1jh4 h LEU 59 CO 0.03 0.01 -0.17 -0.62 -0.62 0.00 0.00 178.44 177.07 1jh4 n GLU 60 N -3.82 1.88 -3.45 1.25 -0.58 -0.93 -4.76 120.64 110.22 1jh4 n GLU 60 Ca -0.03 -1.53 -0.23 0.00 -0.42 0.00 0.00 57.16 54.95 1jh4 n GLU 60 Cb 0.10 -1.47 -0.12 0.00 -0.57 0.00 0.00 31.44 29.38 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1jh4 s SER 61 N -2.18 2.48 0.56 1.62 0.01 0.35 -5.01 113.70 111.53 1jh4 s SER 61 Ca 0.25 -1.26 0.29 0.00 1.31 0.00 0.00 55.95 56.54 1jh4 s SER 61 Cb 0.19 0.07 1.47 0.00 0.21 0.00 0.00 66.02 67.96 1jh4 s SER 61 CO 0.40 -0.38 1.93 -0.65 0.41 0.00 0.00 173.24 174.95 1jh4 h PRO 62 N 7.99 0.00 0.58 12.44 0.11 -1.86 -1.26 132.00 150.00 1jh4 h PRO 62 Ca -0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1jh4 h PRO 62 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1jh4 h PRO 62 CO 0.35 0.00 -0.40 1.05 -0.21 0.00 0.00 178.00 178.78 1jh4 h GLU 63 N 0.00 -0.91 -0.11 1.05 -0.00 -1.95 0.11 114.58 112.77 1jh4 h GLU 63 Ca 0.28 0.06 -0.16 0.00 -0.00 0.00 0.00 59.36 59.53 1jh4 h GLU 63 Cb 1.25 0.21 -0.01 0.00 -0.00 0.00 0.00 28.75 30.20 1jh4 h GLU 63 CO -0.00 -0.61 -0.62 0.77 -0.00 0.00 0.00 179.01 178.55 1jh4 h SER 64 N -0.95 0.47 0.70 3.06 0.02 -1.76 -3.07 113.55 112.03 1jh4 h SER 64 Ca -0.07 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1jh4 h SER 64 Cb 0.78 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1jh4 h SER 64 CO 0.04 0.97 -0.46 0.25 -1.14 0.00 0.00 176.83 176.50 1jh4 h LEU 65 N 0.30 -1.17 -1.96 5.07 7.12 -1.07 -2.27 115.31 121.33 1jh4 h LEU 65 Ca -0.01 0.07 0.15 0.00 0.13 0.00 0.00 57.88 58.22 1jh4 h LEU 65 Cb 1.16 0.35 -0.02 0.00 -0.53 0.00 0.00 40.66 41.62 1jh4 h LEU 65 CO 0.11 -0.69 0.38 0.03 -0.13 0.00 0.00 178.44 178.14 1jh4 h ARG 66 N -1.09 0.04 -0.44 1.25 3.08 -0.85 -0.83 114.38 115.53 1jh4 h ARG 66 Ca -0.09 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.00 1jh4 h ARG 66 Cb 0.88 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 1jh4 h ARG 66 CO 0.08 0.03 0.20 0.77 -1.07 0.00 0.00 179.97 179.97 1jh4 h SER 67 N 0.04 0.27 0.02 7.04 0.02 -1.31 0.62 113.55 120.25 1jh4 h SER 67 Ca 0.25 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1jh4 h SER 67 Cb 0.96 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1jh4 h SER 67 CO -0.01 0.19 -0.13 0.11 -1.14 0.00 0.00 176.83 175.85 1jh4 h LYS 68 N 0.40 0.06 -0.05 3.45 1.57 -0.95 -3.19 116.57 117.86 1jh4 h LYS 68 Ca 0.20 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1jh4 h LYS 68 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1jh4 h LYS 68 CO -0.16 1.00 -0.07 0.28 -0.57 0.00 0.00 179.45 179.92 1jh4 h VAL 69 N -0.84 0.80 -0.34 0.50 2.07 -1.17 -1.44 116.25 115.83 1jh4 h VAL 69 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.56 1jh4 h VAL 69 Cb 1.06 0.80 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1jh4 h VAL 69 CO 0.03 0.00 -0.47 -0.78 0.02 0.00 0.00 177.57 176.37 1jh4 h ASP 70 N -0.10 -1.54 -0.72 0.57 1.82 0.13 0.22 116.42 116.79 1jh4 h ASP 70 Ca 0.05 0.22 0.14 0.00 -0.39 0.00 0.00 57.03 57.05 1jh4 h ASP 70 Cb 0.17 0.65 -0.10 0.00 0.68 0.00 0.00 39.33 40.73 1jh4 h ASP 70 CO -0.11 -0.40 0.24 -0.33 -1.61 0.00 0.00 179.24 177.02 1jh4 h GLU 71 N -0.39 0.35 -0.50 0.28 3.07 -1.49 -1.83 114.58 114.06 1jh4 h GLU 71 Ca 0.10 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.01 1jh4 h GLU 71 Cb 0.61 -0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.34 1jh4 h GLU 71 CO -0.54 0.23 -0.51 0.00 -1.40 0.00 0.00 179.01 176.79 1jh4 h ALA 72 N 1.56 -0.58 -0.98 3.43 0.00 0.52 0.78 119.26 123.98 1jh4 h ALA 72 Ca 0.40 0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.56 1jh4 h ALA 72 Cb 0.63 1.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.39 1jh4 h ALA 72 CO -0.44 -0.95 0.61 0.28 0.00 0.00 0.00 179.25 178.75 1jh4 h VAL 73 N -0.31 0.70 0.35 0.00 2.07 -0.55 0.86 116.25 119.36 1jh4 h VAL 73 Ca 0.12 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1jh4 h VAL 73 Cb 0.57 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1jh4 h VAL 73 CO -0.65 0.12 -0.17 0.00 0.02 0.00 0.00 177.57 176.90 1jh4 h ALA 74 N 1.63 -0.47 0.49 1.67 0.00 -0.35 -3.02 119.26 119.21 1jh4 h ALA 74 Ca 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 1jh4 h ALA 74 Cb 1.00 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jh4 h ALA 74 CO -0.32 -0.46 -0.23 -0.24 0.00 0.00 0.00 179.25 178.00 1jh4 h VAL 75 N -1.08 0.00 -0.23 0.00 3.04 0.98 -2.82 116.25 116.14 1jh4 h VAL 75 Ca -0.05 -0.13 0.06 0.00 -1.01 0.00 0.00 66.70 65.57 1jh4 h VAL 75 Cb 0.44 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 29.64 1jh4 h VAL 75 CO 0.08 0.00 -0.36 -0.07 -1.01 0.00 0.00 177.57 176.21 1jh4 h LEU 76 N -0.78 -1.16 -1.85 3.16 3.38 0.54 1.38 115.31 119.98 1jh4 h LEU 76 Ca -0.07 0.17 0.25 0.00 0.09 0.00 0.00 57.88 58.33 1jh4 h LEU 76 Cb 0.50 0.50 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1jh4 h LEU 76 CO 0.11 -0.37 0.65 -0.61 0.09 0.00 0.00 178.44 178.31 1jh4 h GLN 77 N -0.38 0.11 0.00 1.13 -0.00 -1.54 0.80 115.11 115.23 1jh4 h GLN 77 Ca 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 1jh4 h GLN 77 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1jh4 h GLN 77 CO -0.44 0.07 -0.11 0.00 0.00 0.00 0.00 178.83 178.36 1jh4 h ALA 78 N 1.56 0.00 -0.82 3.38 0.00 0.04 -2.27 119.26 121.16 1jh4 h ALA 78 Ca 0.46 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1jh4 h ALA 78 Cb 1.62 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1jh4 h ALA 78 CO -0.06 0.11 0.52 1.25 0.00 0.00 0.00 179.25 181.07 1jh4 h HIS 79 N -0.97 0.98 0.25 0.00 2.76 0.20 -3.01 115.15 115.36 1jh4 h HIS 79 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1jh4 h HIS 79 Cb 0.11 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.75 1jh4 h HIS 79 CO -0.05 0.56 -0.12 1.96 -1.30 0.00 0.00 177.93 178.98 1jh4 h GLN 80 N 1.01 -0.32 -3.74 5.26 1.08 0.43 -3.50 115.11 115.33 1jh4 h GLN 80 Ca 0.33 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.58 1jh4 h GLN 80 Cb 0.02 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 1jh4 h GLN 80 CO -0.12 0.04 -1.00 0.00 -0.95 0.00 0.00 178.83 176.80 1jh4 n ALA 81 N -2.56 -2.09 -2.13 3.87 0.00 -0.85 -4.58 120.51 112.17 1jh4 n ALA 81 Ca -0.08 0.52 -0.39 0.00 0.00 0.00 0.00 53.44 53.49 1jh4 n ALA 81 Cb 0.26 -1.48 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 1jh4 n ALA 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1jh4 s LYS 82 N -5.36 2.75 -0.90 0.00 -2.85 -1.26 -4.92 119.74 107.19 1jh4 s LYS 82 Ca 0.00 0.48 -0.20 0.00 -1.00 0.00 0.00 55.97 55.25 1jh4 s LYS 82 Cb 0.00 -4.34 0.10 0.00 -2.06 0.00 0.00 37.83 31.53 1jh4 s LYS 82 CO 0.00 -2.60 1.17 -2.00 0.10 0.00 0.00 175.35 172.02 1jh4 s GLU 83 N 6.76 3.52 0.19 1.78 -6.30 -1.26 -5.01 118.70 118.38 1jh4 s GLU 83 Ca 0.62 -1.48 -0.30 0.00 -2.50 0.00 0.00 54.97 51.31 1jh4 s GLU 83 Cb -0.12 -4.89 -0.08 0.00 0.00 0.00 0.00 34.13 29.04 1jh4 s GLU 83 CO 0.20 -1.87 1.10 0.00 0.02 0.00 0.00 175.26 174.71 1jh4 s ALA 84 N 3.38 3.38 0.48 6.30 0.00 -1.26 -5.02 121.76 129.01 1jh4 s ALA 84 Ca 0.34 0.82 -0.20 0.00 0.00 0.00 0.00 51.96 52.92 1jh4 s ALA 84 Cb -0.06 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1jh4 s ALA 84 CO -0.06 -0.21 1.01 0.00 0.00 0.00 0.00 175.76 176.50 1jh4 s ALA 85 N -0.32 2.92 -0.70 0.00 0.00 -1.26 -4.93 121.76 117.46 1jh4 s ALA 85 Ca 0.49 0.51 0.04 0.00 0.00 0.00 0.00 51.96 53.00 1jh4 s ALA 85 Cb -0.30 -3.22 0.22 0.00 0.00 0.00 0.00 23.12 19.83 1jh4 s ALA 85 CO 0.35 -0.22 0.90 0.00 0.00 0.00 0.00 175.76 176.80 1jh4 n GLN 86 N -0.98 2.00 -1.17 0.00 0.00 -1.26 -4.37 117.38 111.60 1jh4 n GLN 86 Ca 0.08 -0.87 -0.20 0.00 0.00 0.00 0.00 57.00 56.01 1jh4 n GLN 86 Cb 0.53 -1.67 -0.03 0.00 0.00 0.00 0.00 30.24 29.08 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1jh4 n LYS 87 N 0.16 2.08 -2.92 2.61 4.76 -1.26 -4.93 118.16 118.65 1jh4 n LYS 87 Ca 0.09 -1.83 -0.40 0.00 -2.87 0.00 0.00 58.31 53.30 1jh4 n LYS 87 Cb 0.56 -1.88 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jh4 s ALA 88 N -1.44 3.30 -0.38 7.82 0.00 -1.26 -4.95 121.76 124.86 1jh4 s ALA 88 Ca 0.47 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.75 1jh4 s ALA 88 Cb 0.31 -3.08 0.37 0.00 0.00 0.00 0.00 23.12 20.72 1jh4 s ALA 88 CO -0.11 -0.06 1.83 1.33 0.00 0.00 0.00 175.76 178.75 1jh4 n VAL 89 N 3.35 2.79 -2.60 0.00 0.24 -1.26 -4.95 118.33 115.91 1jh4 n VAL 89 Ca 0.00 -1.71 -0.31 0.00 -2.04 0.00 0.00 64.34 60.28 1jh4 n VAL 89 Cb 0.51 -0.97 -0.03 0.00 -1.47 0.00 0.00 33.84 31.88 1jh4 n VAL 89 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1jh4 s ASN 90 N -0.55 6.56 -0.24 -1.34 0.01 -1.26 -4.96 114.94 113.17 1jh4 s ASN 90 Ca 0.41 1.36 -0.00 0.00 -0.71 0.00 0.00 52.86 53.91 1jh4 s ASN 90 Cb 0.33 -2.42 0.19 0.00 0.41 0.00 0.00 41.25 39.76 1jh4 s ASN 90 CO 0.03 -0.51 1.89 -1.54 -1.51 0.00 0.00 177.10 175.47 1jh4 n SER 91 N -1.49 5.70 0.02 -1.22 3.41 -1.26 -4.31 113.62 114.48 1jh4 n SER 91 Ca 0.05 -2.88 -0.19 0.00 -0.26 0.00 0.00 58.87 55.59 1jh4 n SER 91 Cb 0.54 -0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 63.40 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jh4 h ALA 92 N 1.43 0.13 -3.09 7.33 0.00 -1.96 -3.40 119.26 119.70 1jh4 h ALA 92 Ca 0.23 -0.65 -0.70 0.00 0.00 0.00 0.00 54.91 53.80 1jh4 h ALA 92 Cb 1.07 0.04 -0.34 0.00 0.00 0.00 0.00 17.79 18.56 1jh4 h ALA 92 CO 0.58 0.58 -0.46 0.99 0.00 0.00 0.00 179.25 180.94 1jh4 s THR 93 N -3.35 3.56 -0.19 0.00 2.01 -1.26 -5.07 115.64 111.33 1jh4 s THR 93 Ca -0.11 -2.35 -0.20 0.00 0.31 0.00 0.00 61.69 59.33 1jh4 s THR 93 Cb 0.06 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.16 1jh4 s THR 93 CO 0.89 -0.77 0.61 -0.83 -0.69 0.00 0.00 174.62 173.83 1jh4 s GLY 94 N 1.52 2.07 -0.18 4.40 0.00 -1.26 -4.97 107.32 108.89 1jh4 s GLY 94 Ca 0.11 -0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.41 1jh4 s GLY 94 CO -0.04 1.26 -0.21 -0.62 0.00 0.00 0.00 173.10 173.49 1jh4 n VAL 95 N 4.63 1.48 -1.40 1.40 0.31 -1.26 -5.00 118.33 118.48 1jh4 n VAL 95 Ca -0.02 0.08 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 1jh4 n VAL 95 Cb 0.50 -2.27 0.13 0.00 -0.91 0.00 0.00 33.84 31.29 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 -2.53 1.31 -0.16 5.55 0.04 -1.26 -5.03 135.00 132.92 1jh4 s PRO 96 Ca -0.25 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 61.25 1jh4 s PRO 96 Cb 0.05 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 1jh4 s PRO 96 CO 0.38 -2.14 -0.22 0.25 0.04 0.00 0.00 177.00 175.31 1jh4 n THR 97 N -3.77 1.01 -0.65 1.26 -2.24 -1.26 -5.25 114.28 103.39 1jh4 n THR 97 Ca 0.06 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1jh4 n THR 97 Cb 0.57 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 1jh4 n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02