#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 0.68 0.00 1.61 -0.04 -1.26 -3.64 135.00 132.35 1jh4 n PRO 2 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1jh4 n PRO 2 Cb 0.00 -1.10 0.20 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.30 0.00 -0.13 1.53 4.77 -1.26 -3.73 117.00 117.88 1jh4 n LEU 3 Ca 0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.72 1jh4 n LEU 3 Cb 0.05 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 1jh4 n LEU 3 CO 0.00 0.00 -1.12 0.61 -1.33 0.00 0.00 177.39 175.55 1jh4 n GLY 4 N 0.55 -0.58 3.87 -0.72 0.00 -1.24 -4.97 105.19 102.10 1jh4 n GLY 4 Ca 0.05 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1jh4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jh4 s SER 5 N -7.21 6.66 0.38 1.61 1.04 -1.24 -5.04 113.70 109.91 1jh4 s SER 5 Ca -0.35 0.97 -0.25 0.00 0.48 0.00 0.00 55.95 56.79 1jh4 s SER 5 Cb 0.12 -2.24 -0.12 0.00 0.10 0.00 0.00 66.02 63.87 1jh4 s SER 5 CO 0.51 -0.05 0.98 -2.65 0.98 0.00 0.00 173.24 173.01 1jh4 n PRO 6 N -0.00 1.31 -3.27 4.02 -0.02 -1.26 -4.96 135.00 130.81 1jh4 n PRO 6 Ca -0.00 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.56 1jh4 n PRO 6 Cb 0.52 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 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 -0.07 4.51 -0.03 2.45 2.01 -1.26 -4.99 118.68 121.30 1jh4 s LEU 7 Ca 0.62 1.26 -0.03 0.00 0.01 0.00 0.00 54.13 55.99 1jh4 s LEU 7 Cb -0.60 -2.96 -0.27 0.00 0.01 0.00 0.00 46.19 42.36 1jh4 s LEU 7 CO 0.58 0.25 0.72 0.71 1.01 0.00 0.00 176.35 179.63 1jh4 h THR 8 N 3.44 1.00 0.16 5.49 1.35 -1.98 -2.93 112.91 119.44 1jh4 h THR 8 Ca -0.49 -2.66 -0.01 0.00 -0.55 0.00 0.00 66.41 62.70 1jh4 h THR 8 Cb 1.21 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.32 1jh4 h THR 8 CO 0.64 0.80 -0.08 0.00 -0.25 0.00 0.00 175.52 176.63 1jh4 h ALA 9 N 0.41 -1.04 -0.14 6.62 0.00 -2.01 -2.56 119.26 120.55 1jh4 h ALA 9 Ca -0.29 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.61 1jh4 h ALA 9 Cb 2.03 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.94 1jh4 h ALA 9 CO 0.14 -1.02 0.21 0.66 0.00 0.00 0.00 179.25 179.24 1jh4 h SER 10 N -0.23 0.00 -0.46 0.00 4.64 -1.96 -0.73 113.55 114.81 1jh4 h SER 10 Ca -0.02 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 1jh4 h SER 10 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1jh4 h SER 10 CO 0.03 0.00 0.19 0.24 -0.87 0.00 0.00 176.83 176.42 1jh4 h MET 11 N 0.00 0.69 0.61 4.77 2.86 -1.29 0.48 114.93 123.04 1jh4 h MET 11 Ca 0.07 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1jh4 h MET 11 Cb 0.49 -0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.04 1jh4 h MET 11 CO -0.00 0.62 -0.29 1.25 1.06 0.00 0.00 176.91 179.55 1jh4 h LEU 12 N 0.60 -0.69 -0.43 1.22 7.12 -0.74 -2.90 115.31 119.49 1jh4 h LEU 12 Ca 0.15 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1jh4 h LEU 12 Cb 0.19 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1jh4 h LEU 12 CO -0.01 -0.37 0.00 0.00 -0.13 0.00 0.00 178.44 177.93 1jh4 n ALA 13 N -2.60 1.93 0.02 1.25 0.00 -1.06 -2.57 120.51 117.48 1jh4 n ALA 13 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 1jh4 n ALA 13 Cb 0.32 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 1jh4 n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jh4 h SER 14 N 0.20 0.32 -2.11 0.00 0.02 -0.67 -3.41 113.55 107.90 1jh4 h SER 14 Ca 0.00 -0.59 -0.58 0.00 -0.84 0.00 0.00 61.79 59.77 1jh4 h SER 14 Cb 0.11 -0.11 -0.41 0.00 0.14 0.00 0.00 62.40 62.14 1jh4 h SER 14 CO 0.00 1.52 -0.81 0.00 -1.14 0.00 0.00 176.83 176.40 1jh4 n ALA 15 N -2.77 3.37 -0.31 3.77 0.00 -1.06 -4.98 120.51 118.52 1jh4 n ALA 15 Ca -0.23 -4.19 0.02 0.00 0.00 0.00 0.00 53.44 49.05 1jh4 n ALA 15 Cb 1.05 -0.86 0.09 0.00 0.00 0.00 0.00 19.45 19.73 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 4.10 -0.02 0.00 0.00 0.10 -1.81 -2.63 132.00 131.74 1jh4 h PRO 16 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.25 1jh4 h PRO 16 Cb 0.75 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.86 1jh4 h PRO 16 CO 0.68 -0.01 0.00 -2.30 0.10 0.00 0.00 178.00 176.47 1jh4 n PRO 17 N -5.54 1.29 0.17 1.05 -0.02 -1.26 -4.44 135.00 126.25 1jh4 n PRO 17 Ca 0.12 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.68 1jh4 n PRO 17 Cb 0.43 0.00 0.41 0.00 -0.02 0.00 0.00 33.50 34.32 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 -1.49 -0.52 3.07 -2.05 -1.95 115.11 112.18 1jh4 h GLN 18 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 58.59 1jh4 h GLN 18 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.49 1jh4 h GLN 18 CO 0.00 0.00 0.19 0.39 0.09 0.00 0.00 178.83 179.50 1jh4 n GLU 19 N -2.12 1.37 0.00 0.06 4.71 -1.25 -4.50 120.64 118.91 1jh4 n GLU 19 Ca -0.01 -0.76 0.00 0.00 -0.01 0.00 0.00 57.16 56.38 1jh4 n GLU 19 Cb 0.28 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 1jh4 n GLU 19 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1jh4 n GLN 20 N 0.63 0.00 0.00 3.49 6.02 -0.73 -4.01 117.38 122.78 1jh4 n GLN 20 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1jh4 n GLN 20 Cb 0.62 -0.55 0.00 0.00 1.02 0.00 0.00 30.24 31.33 1jh4 n GLN 20 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jh4 n LYS 21 N -0.31 0.97 0.02 -1.09 4.76 -1.26 -4.32 118.16 116.93 1jh4 n LYS 21 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1jh4 n LYS 21 Cb 0.00 -1.37 -0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 1jh4 h GLN 22 N 0.03 -0.06 0.00 1.97 4.15 -1.74 -3.09 115.11 116.37 1jh4 h GLN 22 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jh4 h GLN 22 Cb 0.37 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1jh4 h GLN 22 CO 0.00 -0.04 0.00 -1.33 -1.93 0.00 0.00 178.83 175.53 1jh4 n MET 23 N -2.19 0.00 -0.16 1.69 2.81 -1.26 -3.26 117.12 114.75 1jh4 n MET 23 Ca -0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.85 1jh4 n MET 23 Cb 0.02 -0.51 -0.02 0.00 -0.71 0.00 0.00 33.22 32.01 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 0.91 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.78 1jh4 n LEU 24 Ca 0.00 -1.09 0.00 0.00 -0.00 0.00 0.00 56.01 54.92 1jh4 n LEU 24 Cb 0.00 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 1jh4 n LEU 24 CO 0.00 -0.41 0.00 0.61 -0.00 0.00 0.00 177.39 177.59 1jh4 n GLY 25 N 3.30 0.56 0.00 1.47 0.00 -1.17 -4.14 105.19 105.21 1jh4 n GLY 25 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 5.10 0.00 -0.15 1.61 0.00 -1.25 -4.25 120.64 121.70 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 -0.38 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 -2.13 0.00 0.00 0.00 177.13 175.00 1jh4 n ARG 27 N -0.23 0.13 -0.03 3.44 0.00 -1.26 -4.89 116.66 113.82 1jh4 n ARG 27 Ca 0.00 -0.71 -0.15 0.00 -0.00 0.00 0.00 57.85 56.99 1jh4 n ARG 27 Cb 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 32.46 31.81 1jh4 n ARG 27 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1jh4 h LEU 28 N 0.00 0.15 -0.75 6.15 3.38 -1.89 -3.22 115.31 119.12 1jh4 h LEU 28 Ca 0.00 -0.81 0.16 0.00 0.09 0.00 0.00 57.88 57.32 1jh4 h LEU 28 Cb 1.10 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 1jh4 h LEU 28 CO 0.00 0.94 -0.14 0.15 0.09 0.00 0.00 178.44 179.48 1jh4 h PHE 29 N -0.62 -0.31 -0.63 1.13 3.57 -1.80 0.46 116.94 118.73 1jh4 h PHE 29 Ca -0.02 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1jh4 h PHE 29 Cb 0.97 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1jh4 h PHE 29 CO 0.20 -0.31 0.37 -1.35 -2.23 0.00 0.00 178.31 174.99 1jh4 h PRO 30 N 0.02 0.87 -0.12 6.41 0.11 -1.88 1.10 132.00 138.52 1jh4 h PRO 30 Ca 0.37 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 1jh4 h PRO 30 Cb 0.60 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1jh4 h PRO 30 CO -0.75 0.63 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.49 1jh4 h LEU 31 N 0.86 0.30 -0.42 2.35 3.38 -1.04 -2.99 115.31 117.74 1jh4 h LEU 31 Ca 0.23 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 1jh4 h LEU 31 Cb -0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jh4 h LEU 31 CO -0.04 0.72 -0.13 -0.29 0.09 0.00 0.00 178.44 178.79 1jh4 h ILE 32 N -0.11 1.28 -0.95 1.22 -0.00 -0.10 -2.61 117.51 116.25 1jh4 h ILE 32 Ca 0.02 -1.24 0.29 0.00 -0.00 0.00 0.00 64.86 63.92 1jh4 h ILE 32 Cb 0.64 1.20 -0.16 0.00 -0.00 0.00 0.00 36.82 38.50 1jh4 h ILE 32 CO 0.03 0.42 0.34 -0.61 -0.00 0.00 0.00 178.15 178.33 1jh4 h GLN 33 N 0.66 0.18 -0.65 2.19 4.15 0.13 2.13 115.11 123.89 1jh4 h GLN 33 Ca 0.10 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.59 1jh4 h GLN 33 Cb 0.67 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.28 1jh4 h GLN 33 CO 0.05 0.12 0.43 0.00 -1.93 0.00 0.00 178.83 177.50 1jh4 h ALA 34 N 1.86 1.84 0.00 3.38 0.00 -1.31 -3.23 119.26 121.80 1jh4 h ALA 34 Ca 0.65 -0.02 -0.37 0.00 0.00 0.00 0.00 54.91 55.17 1jh4 h ALA 34 Cb 1.44 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 1jh4 h ALA 34 CO -0.70 0.04 -2.15 -1.33 0.00 0.00 0.00 179.25 175.10 1jh4 n MET 35 N -4.48 0.58 -3.60 0.00 2.81 0.41 -5.03 117.12 107.80 1jh4 n MET 35 Ca 0.10 0.30 -0.21 0.00 -1.81 0.00 0.00 57.70 56.09 1jh4 n MET 35 Cb 0.29 -1.52 0.06 0.00 -0.71 0.00 0.00 33.22 31.33 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 -2.17 0.00 2.03 8.25 0.62 -4.96 115.22 114.68 1jh4 n HIS 36 Ca -0.46 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1jh4 n HIS 36 Cb 0.80 -4.70 0.00 0.00 1.12 0.00 0.00 29.99 27.21 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 -4.34 0.00 -0.09 -0.41 -0.04 -1.26 -4.69 135.00 124.17 1jh4 n PRO 37 Ca -0.23 0.34 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1jh4 n PRO 37 Cb 0.65 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 1jh4 n PRO 37 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jh4 n THR 38 N -1.53 1.48 -3.15 0.52 5.66 -1.26 -5.03 114.28 110.97 1jh4 n THR 38 Ca 0.00 0.12 0.05 0.00 -3.05 0.00 0.00 64.05 61.17 1jh4 n THR 38 Cb 0.00 -2.32 -0.01 0.00 -1.55 0.00 0.00 70.33 66.45 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1jh4 s LEU 39 N -7.98 -0.67 0.23 1.09 2.96 -1.26 -5.04 118.68 108.01 1jh4 s LEU 39 Ca -0.25 0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 1jh4 s LEU 39 Cb 0.04 1.54 0.40 0.00 0.50 0.00 0.00 46.19 48.67 1jh4 s LEU 39 CO 0.37 -0.12 1.67 0.00 -1.32 0.00 0.00 176.35 176.95 1jh4 h ALA 40 N 7.92 0.80 0.23 5.97 0.00 -1.90 0.74 119.26 133.02 1jh4 h ALA 40 Ca -0.14 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jh4 h ALA 40 Cb 1.17 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1jh4 h ALA 40 CO -0.02 -0.37 -0.15 0.78 0.00 0.00 0.00 179.25 179.49 1jh4 h GLY 41 N 0.19 -0.62 1.17 0.00 0.00 -1.96 -2.60 103.07 99.25 1jh4 h GLY 41 Ca 0.38 0.26 -0.09 0.00 0.00 0.00 0.00 47.33 47.88 1jh4 h GLY 41 CO -0.54 -0.22 0.00 0.50 0.00 0.00 0.00 176.54 176.29 1jh4 h LYS 42 N -0.35 0.99 -0.96 4.80 1.57 -1.96 -3.01 116.57 117.64 1jh4 h LYS 42 Ca -0.03 -0.30 0.14 0.00 -1.87 0.00 0.00 60.65 58.59 1jh4 h LYS 42 Cb 0.28 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.41 1jh4 h LYS 42 CO 0.03 0.97 0.61 0.97 -0.57 0.00 0.00 179.45 181.46 1jh4 h ILE 43 N 0.91 0.85 -0.63 1.86 2.10 0.45 -1.05 117.51 122.00 1jh4 h ILE 43 Ca 0.17 -0.29 -0.01 0.00 1.08 0.00 0.00 64.86 65.81 1jh4 h ILE 43 Cb 0.53 -0.06 -0.03 0.00 -1.09 0.00 0.00 36.82 36.16 1jh4 h ILE 43 CO 0.03 0.15 0.36 0.74 -1.08 0.00 0.00 178.15 178.35 1jh4 h THR 44 N 0.84 1.19 -0.26 2.19 2.02 -1.32 -1.82 112.91 115.75 1jh4 h THR 44 Ca 0.50 -0.46 0.08 0.00 0.77 0.00 0.00 66.41 67.29 1jh4 h THR 44 Cb 0.66 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1jh4 h THR 44 CO -0.26 0.20 0.22 1.23 0.37 0.00 0.00 175.52 177.28 1jh4 h GLY 45 N 0.85 0.00 0.18 2.16 0.00 -1.24 -0.41 103.07 104.61 1jh4 h GLY 45 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1jh4 h GLY 45 CO -0.04 0.00 -0.09 -0.33 0.00 0.00 0.00 176.54 176.08 1jh4 h MET 46 N 0.00 -0.23 -0.01 4.80 2.07 -1.23 -3.27 114.93 117.06 1jh4 h MET 46 Ca 0.12 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.77 1jh4 h MET 46 Cb 0.57 0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.35 1jh4 h MET 46 CO -0.00 -0.16 0.11 -0.07 1.07 0.00 0.00 176.91 177.87 1jh4 h LEU 47 N -0.88 0.00 -1.03 1.22 -0.00 -1.26 -2.78 115.31 110.59 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 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.85 1jh4 h LEU 47 CO 0.04 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.37 1jh4 n LEU 48 N -3.06 0.01 0.00 1.67 7.94 -0.18 -3.12 117.00 120.26 1jh4 n LEU 48 Ca -0.03 -0.00 0.10 0.00 -1.11 0.00 0.00 56.01 54.97 1jh4 n LEU 48 Cb 0.18 -0.00 0.46 0.00 0.53 0.00 0.00 43.42 44.58 1jh4 n LEU 48 CO 0.18 0.00 0.84 1.21 -1.11 0.00 0.00 177.39 178.51 1jh4 n GLU 49 N 0.51 0.02 -3.79 1.96 2.13 -1.05 -4.81 120.64 115.61 1jh4 n GLU 49 Ca 0.00 0.13 -0.25 0.00 0.66 0.00 0.00 57.16 57.71 1jh4 n GLU 49 Cb 0.00 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.20 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 -2.97 1.95 0.40 6.31 2.07 -1.18 -5.12 121.20 122.66 1jh4 s ILE 50 Ca 0.11 -1.45 -0.24 0.00 -1.41 0.00 0.00 60.65 57.66 1jh4 s ILE 50 Cb 0.14 -2.40 -0.09 0.00 0.13 0.00 0.00 42.46 40.24 1jh4 s ILE 50 CO 0.38 0.00 1.06 -1.81 -1.91 0.00 0.00 174.94 172.66 1jh4 s ASP 51 N -4.24 6.72 0.61 4.50 1.01 -1.26 -4.90 116.67 119.10 1jh4 s ASP 51 Ca 0.39 2.07 0.28 0.00 0.71 0.00 0.00 52.55 56.00 1jh4 s ASP 51 Cb -0.02 -2.59 1.33 0.00 1.01 0.00 0.00 42.92 42.65 1jh4 s ASP 51 CO 0.24 -0.52 1.74 -1.13 0.21 0.00 0.00 175.17 175.70 1jh4 h ASN 52 N 2.49 0.00 0.49 0.27 -0.73 -1.99 0.50 115.58 116.60 1jh4 h ASN 52 Ca -0.48 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.58 1jh4 h ASN 52 Cb 1.22 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 1jh4 h ASN 52 CO 0.62 0.00 -0.49 0.77 -0.37 0.00 0.00 177.43 177.96 1jh4 h SER 53 N 0.00 0.00 0.01 1.15 4.64 -2.01 -2.97 113.55 114.37 1jh4 h SER 53 Ca 0.24 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.35 1jh4 h SER 53 Cb 1.53 -0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.64 1jh4 h SER 53 CO -0.00 0.49 -0.85 -0.33 -0.87 0.00 0.00 176.83 175.27 1jh4 h GLU 54 N 0.00 0.57 -0.17 4.77 4.39 -0.36 -3.08 114.58 120.70 1jh4 h GLU 54 Ca -0.00 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1jh4 h GLU 54 Cb 0.87 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1jh4 h GLU 54 CO 0.06 1.23 0.11 -0.07 -1.16 0.00 0.00 179.01 179.18 1jh4 h LEU 55 N 0.16 0.19 -0.44 1.33 4.07 -1.51 -1.59 115.31 117.52 1jh4 h LEU 55 Ca -0.11 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.75 1jh4 h LEU 55 Cb 1.53 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 1jh4 h LEU 55 CO 0.17 0.14 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.49 1jh4 h LEU 56 N 0.23 0.85 -0.95 1.67 4.07 -1.52 -2.95 115.31 116.72 1jh4 h LEU 56 Ca 0.06 -0.36 0.08 0.00 0.08 0.00 0.00 57.88 57.73 1jh4 h LEU 56 Cb -0.02 -0.23 -0.07 0.00 1.08 0.00 0.00 40.66 41.42 1jh4 h LEU 56 CO -0.01 1.02 0.60 0.45 -1.08 0.00 0.00 178.44 179.41 1jh4 h HIS 57 N 0.67 1.10 -0.35 1.13 3.86 -1.21 -1.80 115.15 118.57 1jh4 h HIS 57 Ca 0.11 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1jh4 h HIS 57 Cb 0.65 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 1jh4 h HIS 57 CO 0.05 0.54 0.16 0.52 0.86 0.00 0.00 177.93 180.05 1jh4 h MET 58 N 1.05 0.32 0.00 2.45 2.86 -1.33 0.18 114.93 120.46 1jh4 h MET 58 Ca 0.42 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1jh4 h MET 58 Cb 0.24 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1jh4 h MET 58 CO -0.19 0.21 -0.00 1.25 1.06 0.00 0.00 176.91 179.23 1jh4 h LEU 59 N 0.33 0.00 0.00 1.22 6.46 -1.23 -0.23 115.31 121.86 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 0.08 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 1jh4 h LEU 59 CO -0.12 0.00 -1.39 -0.62 -0.62 0.00 0.00 178.44 175.69 1jh4 n GLU 60 N -3.25 0.44 -3.57 1.25 1.02 -0.19 -4.76 120.64 111.57 1jh4 n GLU 60 Ca -0.03 -0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 1jh4 n GLU 60 Cb 0.09 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 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 -4.23 3.42 0.41 1.62 0.01 0.45 -5.00 113.70 110.38 1jh4 s SER 61 Ca -0.01 -1.89 0.17 0.00 1.31 0.00 0.00 55.95 55.53 1jh4 s SER 61 Cb 0.14 -0.56 1.07 0.00 0.21 0.00 0.00 66.02 66.88 1jh4 s SER 61 CO 0.85 -0.36 1.83 -0.65 0.41 0.00 0.00 173.24 175.32 1jh4 h PRO 62 N 7.57 0.41 0.19 12.44 0.11 -1.85 0.95 132.00 151.83 1jh4 h PRO 62 Ca -0.06 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.03 1jh4 h PRO 62 Cb 0.98 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.97 1jh4 h PRO 62 CO 0.38 0.27 -0.26 1.05 -0.21 0.00 0.00 178.00 179.24 1jh4 h GLU 63 N 0.42 -0.49 -0.00 1.05 4.11 -1.94 -1.05 114.58 116.68 1jh4 h GLU 63 Ca 0.51 0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.81 1jh4 h GLU 63 Cb 1.26 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 1jh4 h GLU 63 CO -0.22 -0.33 -0.76 0.77 0.07 0.00 0.00 179.01 178.54 1jh4 h SER 64 N -0.51 0.07 0.58 3.06 0.02 -1.73 -3.08 113.55 111.97 1jh4 h SER 64 Ca 0.01 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1jh4 h SER 64 Cb 0.50 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1jh4 h SER 64 CO -0.10 0.80 -0.45 0.25 -1.14 0.00 0.00 176.83 176.19 1jh4 h LEU 65 N 0.03 -1.20 -1.99 5.07 7.12 -0.48 -1.89 115.31 121.98 1jh4 h LEU 65 Ca -0.01 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1jh4 h LEU 65 Cb 1.34 0.38 -0.00 0.00 -0.53 0.00 0.00 40.66 41.85 1jh4 h LEU 65 CO 0.10 -0.65 -0.02 0.03 -0.13 0.00 0.00 178.44 177.77 1jh4 h ARG 66 N -1.01 0.00 -0.54 1.25 -0.00 -1.28 -2.45 114.38 110.34 1jh4 h ARG 66 Ca -0.07 0.00 0.10 0.00 -0.50 0.00 0.00 59.98 59.51 1jh4 h ARG 66 Cb 0.85 0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.74 1jh4 h ARG 66 CO 0.01 0.02 0.12 1.03 0.00 0.00 0.00 179.97 181.15 1jh4 h SER 67 N 0.00 0.02 0.00 7.04 0.87 -1.25 0.65 113.55 120.88 1jh4 h SER 67 Ca -0.00 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1jh4 h SER 67 Cb 0.04 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1jh4 h SER 67 CO 0.00 0.03 -0.07 0.11 -0.53 0.00 0.00 176.83 176.38 1jh4 h LYS 68 N 0.26 0.04 -0.22 2.24 1.79 -1.19 -3.18 116.57 116.30 1jh4 h LYS 68 Ca 0.28 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.74 1jh4 h LYS 68 Cb 0.38 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 1jh4 h LYS 68 CO -0.35 0.83 0.01 0.28 -1.08 0.00 0.00 179.45 179.14 1jh4 h VAL 69 N -0.73 0.85 -0.32 0.50 2.07 -1.28 -2.45 116.25 114.90 1jh4 h VAL 69 Ca -0.01 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1jh4 h VAL 69 Cb 0.86 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 1jh4 h VAL 69 CO 0.01 0.01 -0.43 0.44 0.02 0.00 0.00 177.57 177.63 1jh4 h ASP 70 N 0.08 -1.40 -0.69 0.57 3.32 0.20 -0.02 116.42 118.48 1jh4 h ASP 70 Ca 0.10 0.20 0.15 0.00 0.02 0.00 0.00 57.03 57.51 1jh4 h ASP 70 Cb 0.13 0.60 -0.11 0.00 0.22 0.00 0.00 39.33 40.16 1jh4 h ASP 70 CO -0.17 -0.39 0.04 -0.33 -1.72 0.00 0.00 179.24 176.67 1jh4 h GLU 71 N -0.38 0.14 -0.64 3.56 3.07 -1.47 -0.53 114.58 118.33 1jh4 h GLU 71 Ca 0.12 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.07 1jh4 h GLU 71 Cb 0.60 -0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 28.36 1jh4 h GLU 71 CO -0.52 0.09 -0.37 0.00 -1.40 0.00 0.00 179.01 176.82 1jh4 h ALA 72 N 1.62 -0.10 -0.91 3.43 0.00 -0.54 0.51 119.26 123.29 1jh4 h ALA 72 Ca 0.37 0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.60 1jh4 h ALA 72 Cb 0.64 0.86 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 1jh4 h ALA 72 CO -0.57 -0.71 0.50 0.28 0.00 0.00 0.00 179.25 178.75 1jh4 h VAL 73 N -0.16 0.74 0.23 0.00 2.07 -0.68 1.85 116.25 120.30 1jh4 h VAL 73 Ca 0.23 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1jh4 h VAL 73 Cb 0.56 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1jh4 h VAL 73 CO -0.72 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 176.89 1jh4 h ALA 74 N 1.58 -0.31 0.41 1.67 0.00 -0.32 -2.90 119.26 119.39 1jh4 h ALA 74 Ca 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1jh4 h ALA 74 Cb 0.70 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1jh4 h ALA 74 CO -0.36 -0.37 -0.20 -0.24 0.00 0.00 0.00 179.25 178.08 1jh4 h VAL 75 N -0.91 0.00 0.03 0.00 3.04 0.26 -2.88 116.25 115.78 1jh4 h VAL 75 Ca -0.03 -0.39 0.02 0.00 -1.01 0.00 0.00 66.70 65.29 1jh4 h VAL 75 Cb 0.50 0.00 -0.05 0.00 -2.01 0.00 0.00 31.29 29.73 1jh4 h VAL 75 CO 0.05 0.00 -0.48 0.25 -1.01 0.00 0.00 177.57 176.38 1jh4 h LEU 76 N -0.93 -1.48 -1.93 3.16 6.46 0.27 1.59 115.31 122.45 1jh4 h LEU 76 Ca -0.06 0.16 0.25 0.00 -0.12 0.00 0.00 57.88 58.11 1jh4 h LEU 76 Cb 0.42 0.56 -0.04 0.00 -0.73 0.00 0.00 40.66 40.86 1jh4 h LEU 76 CO 0.09 -0.48 0.62 -0.61 -0.62 0.00 0.00 178.44 177.45 1jh4 h GLN 77 N -0.62 0.05 0.09 1.25 4.15 -1.35 0.61 115.11 119.28 1jh4 h GLN 77 Ca 0.01 -0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 1jh4 h GLN 77 Cb 0.66 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.34 1jh4 h GLN 77 CO -0.30 0.04 -0.69 0.00 -1.93 0.00 0.00 178.83 175.94 1jh4 h ALA 78 N 1.57 -0.01 0.55 3.38 0.00 -0.67 -3.36 119.26 120.72 1jh4 h ALA 78 Ca 0.42 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1jh4 h ALA 78 Cb 1.60 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.55 1jh4 h ALA 78 CO -0.03 0.35 -0.27 1.25 0.00 0.00 0.00 179.25 180.55 1jh4 h HIS 79 N -0.57 -0.69 0.00 0.00 2.76 0.37 -3.30 115.15 113.71 1jh4 h HIS 79 Ca -0.14 -0.02 -0.63 0.00 -2.20 0.00 0.00 60.37 57.39 1jh4 h HIS 79 Cb 1.46 0.23 0.03 0.00 1.55 0.00 0.00 27.41 30.67 1jh4 h HIS 79 CO 0.21 -0.43 3.66 0.94 -1.30 0.00 0.00 177.93 181.00 1jh4 n GLN 80 N -5.21 3.44 -1.56 5.26 -0.06 0.20 -4.82 117.38 114.62 1jh4 n GLN 80 Ca -0.09 -2.11 -0.23 0.00 -2.00 0.00 0.00 57.00 52.56 1jh4 n GLN 80 Cb 0.29 -2.77 0.16 0.00 -4.06 0.00 0.00 30.24 23.86 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jh4 n ALA 81 N 3.80 -1.16 0.20 1.69 0.00 -1.25 -4.79 120.51 119.00 1jh4 n ALA 81 Ca 0.73 -1.40 0.08 0.00 0.00 0.00 0.00 53.44 52.85 1jh4 n ALA 81 Cb 0.22 -0.05 0.36 0.00 0.00 0.00 0.00 19.45 19.98 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jh4 h LYS 82 N 0.00 0.00 -6.77 0.00 1.57 -1.90 -3.45 116.57 106.02 1jh4 h LYS 82 Ca -0.34 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.94 1jh4 h LYS 82 Cb 0.95 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 1jh4 h LYS 82 CO 0.25 0.29 0.07 -1.21 -0.57 0.00 0.00 179.45 178.28 1jh4 s GLU 83 N -3.54 3.79 -0.28 3.15 0.41 -1.26 -4.96 118.70 116.02 1jh4 s GLU 83 Ca 0.01 0.43 -0.07 0.00 -0.41 0.00 0.00 54.97 54.93 1jh4 s GLU 83 Cb 0.10 -2.44 -0.23 0.00 -1.78 0.00 0.00 34.13 29.78 1jh4 s GLU 83 CO 0.66 0.04 3.50 0.00 -0.49 0.00 0.00 175.26 178.97 1jh4 n ALA 84 N -1.08 6.57 -0.44 5.21 0.00 -1.26 -4.62 120.51 124.90 1jh4 n ALA 84 Ca 0.02 -2.14 -0.05 0.00 0.00 0.00 0.00 53.44 51.27 1jh4 n ALA 84 Cb 0.54 -2.48 0.01 0.00 0.00 0.00 0.00 19.45 17.52 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 2.62 4.16 0.01 0.00 0.00 -1.26 -3.96 120.51 122.09 1jh4 n ALA 85 Ca 0.49 -0.53 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1jh4 n ALA 85 Cb 0.80 -1.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.02 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 1.01 0.00 -6.03 0.00 4.20 -1.88 -3.43 115.11 108.97 1jh4 h GLN 86 Ca 0.10 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.31 1jh4 h GLN 86 Cb 1.02 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.72 1jh4 h GLN 86 CO 0.24 0.48 1.21 0.15 -0.67 0.00 0.00 178.83 180.23 1jh4 s LYS 87 N -2.73 3.16 1.01 1.46 -0.14 -1.25 -4.98 119.74 116.26 1jh4 s LYS 87 Ca -0.03 -0.59 -0.17 0.00 -1.36 0.00 0.00 55.97 53.82 1jh4 s LYS 87 Cb 0.08 -5.00 0.25 0.00 -1.68 0.00 0.00 37.83 31.48 1jh4 s LYS 87 CO 0.82 -2.56 0.99 0.00 -0.76 0.00 0.00 175.35 173.83 1jh4 n ALA 88 N 10.69 -2.58 -1.75 5.17 0.00 -1.26 -5.04 120.51 125.74 1jh4 n ALA 88 Ca 0.29 -1.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.00 1jh4 n ALA 88 Cb 0.50 -0.09 0.05 0.00 0.00 0.00 0.00 19.45 19.91 1jh4 n ALA 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jh4 s VAL 89 N -2.89 3.69 0.99 0.00 -7.23 -1.26 -5.07 120.40 108.63 1jh4 s VAL 89 Ca 0.62 0.55 -0.16 0.00 -1.81 0.00 0.00 61.98 61.17 1jh4 s VAL 89 Cb -0.05 -3.44 0.21 0.00 0.56 0.00 0.00 36.38 33.66 1jh4 s VAL 89 CO 0.47 -0.72 1.28 0.20 -0.31 0.00 0.00 175.10 176.02 1jh4 s ASN 90 N -4.13 2.83 -1.19 4.85 0.01 -1.26 -4.97 114.94 111.09 1jh4 s ASN 90 Ca 0.58 0.35 -0.09 0.00 -0.71 0.00 0.00 52.86 53.00 1jh4 s ASN 90 Cb -0.12 -0.45 0.22 0.00 0.41 0.00 0.00 41.25 41.32 1jh4 s ASN 90 CO 0.53 -2.92 1.58 -1.20 -1.51 0.00 0.00 177.10 173.59 1jh4 n SER 91 N -3.90 5.57 -3.53 -1.22 7.64 -1.26 -4.91 113.62 112.00 1jh4 n SER 91 Ca 0.15 -3.17 -0.39 0.00 1.01 0.00 0.00 58.87 56.47 1jh4 n SER 91 Cb 0.59 -1.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 n ALA 92 N 3.29 5.41 -1.24 -0.43 0.00 -1.26 -4.47 120.51 121.81 1jh4 n ALA 92 Ca 0.33 -3.41 0.01 0.00 0.00 0.00 0.00 53.44 50.38 1jh4 n ALA 92 Cb 0.37 -3.45 0.22 0.00 0.00 0.00 0.00 19.45 16.59 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 4.82 2.43 -4.05 0.00 5.66 -1.26 -5.02 114.28 116.86 1jh4 n THR 93 Ca 0.57 -2.35 -0.22 0.00 -3.05 0.00 0.00 64.05 58.99 1jh4 n THR 93 Cb 0.32 -0.29 -0.05 0.00 -1.55 0.00 0.00 70.33 68.76 1jh4 n THR 93 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1jh4 s GLY 94 N -2.28 1.59 -0.18 1.09 0.00 -1.26 -5.08 107.32 101.20 1jh4 s GLY 94 Ca 0.43 -1.55 -0.15 0.00 0.00 0.00 0.00 44.72 43.45 1jh4 s GLY 94 CO 0.04 -1.55 -0.27 -0.62 0.00 0.00 0.00 173.10 170.70 1jh4 n VAL 95 N -1.20 1.48 -2.17 1.40 0.31 -1.26 -4.91 118.33 111.99 1jh4 n VAL 95 Ca -0.06 0.11 -0.43 0.00 -0.01 0.00 0.00 64.34 63.96 1jh4 n VAL 95 Cb 0.59 -2.31 -0.02 0.00 -0.91 0.00 0.00 33.84 31.18 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 4.02 -0.50 5.55 0.04 -1.26 -4.97 135.00 135.25 1jh4 s PRO 96 Ca -0.25 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 1jh4 s PRO 96 Cb 0.04 -3.95 0.03 0.00 0.04 0.00 0.00 34.50 30.66 1jh4 s PRO 96 CO 0.37 -1.01 0.97 0.99 0.04 0.00 0.00 177.00 178.36 1jh4 s THR 97 N 4.41 4.39 -0.03 1.26 2.01 -1.26 -5.20 115.64 121.22 1jh4 s THR 97 Ca 0.67 0.66 0.00 0.00 0.31 0.00 0.00 61.69 63.33 1jh4 s THR 97 Cb -0.26 -4.50 0.00 0.00 0.01 0.00 0.00 72.50 67.75 1jh4 s THR 97 CO 0.26 -0.97 0.51 1.33 -0.69 0.00 0.00 174.62 175.05