#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 h PRO 2 N 0.00 0.81 -0.57 1.61 0.13 -2.09 -2.98 132.00 128.91 1jh4 h PRO 2 Ca 0.00 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jh4 h PRO 2 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1jh4 h PRO 2 CO 0.00 1.08 0.00 1.28 -0.23 0.00 0.00 178.00 180.13 1jh4 n LEU 3 N -4.03 3.18 -4.92 1.56 4.77 -1.26 -4.93 117.00 111.38 1jh4 n LEU 3 Ca -0.02 -1.60 -0.23 0.00 -0.03 0.00 0.00 56.01 54.12 1jh4 n LEU 3 Cb 0.56 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1jh4 n LEU 3 CO 0.48 0.65 0.09 -0.83 -1.33 0.00 0.00 177.39 176.45 1jh4 s GLY 4 N -0.88 2.17 -0.29 -0.72 0.00 -1.13 -5.10 107.32 101.36 1jh4 s GLY 4 Ca 0.36 -1.65 -0.11 0.00 0.00 0.00 0.00 44.72 43.32 1jh4 s GLY 4 CO 0.20 -1.81 0.19 -0.56 0.00 0.00 0.00 173.10 171.13 1jh4 s SER 5 N -4.30 5.95 -0.77 1.64 0.01 -1.26 -4.79 113.70 110.19 1jh4 s SER 5 Ca 0.44 -0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.30 1jh4 s SER 5 Cb -0.03 -2.11 -0.17 0.00 0.21 0.00 0.00 66.02 63.93 1jh4 s SER 5 CO 0.27 -0.10 2.47 -2.65 0.41 0.00 0.00 173.24 173.63 1jh4 n PRO 6 N 5.06 0.50 -3.07 12.44 -0.02 -1.26 -4.90 135.00 143.74 1jh4 n PRO 6 Ca -0.14 -0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 60.82 1jh4 n PRO 6 Cb 0.51 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 1jh4 n PRO 6 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jh4 s LEU 7 N 10.06 4.37 -0.00 2.45 1.98 -1.26 -4.99 118.68 131.29 1jh4 s LEU 7 Ca 1.13 1.47 0.05 0.00 -2.89 0.00 0.00 54.13 53.89 1jh4 s LEU 7 Cb -0.59 -3.58 -0.24 0.00 0.66 0.00 0.00 46.19 42.44 1jh4 s LEU 7 CO 0.34 0.05 0.82 0.71 -1.89 0.00 0.00 176.35 176.38 1jh4 h THR 8 N 2.80 1.10 0.26 3.68 1.35 -1.99 -2.98 112.91 117.13 1jh4 h THR 8 Ca -0.48 -2.85 -0.01 0.00 -0.55 0.00 0.00 66.41 62.52 1jh4 h THR 8 Cb 1.19 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1jh4 h THR 8 CO 0.65 0.72 -0.14 0.00 -0.25 0.00 0.00 175.52 176.51 1jh4 h ALA 9 N 0.76 -1.07 -0.15 6.62 0.00 -2.01 -2.63 119.26 120.79 1jh4 h ALA 9 Ca -0.23 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1jh4 h ALA 9 Cb 1.97 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1jh4 h ALA 9 CO 0.12 -1.05 0.20 1.03 0.00 0.00 0.00 179.25 179.54 1jh4 h SER 10 N -0.37 0.00 -0.49 0.00 0.87 -1.96 -1.12 113.55 110.48 1jh4 h SER 10 Ca -0.04 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1jh4 h SER 10 Cb 0.28 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1jh4 h SER 10 CO 0.05 0.00 0.24 0.24 -0.53 0.00 0.00 176.83 176.83 1jh4 h MET 11 N 0.00 0.71 0.70 2.24 2.86 -1.32 0.19 114.93 120.30 1jh4 h MET 11 Ca 0.07 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1jh4 h MET 11 Cb 0.46 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.00 1jh4 h MET 11 CO -0.00 0.60 -0.33 1.25 1.06 0.00 0.00 176.91 179.48 1jh4 h LEU 12 N 0.65 -0.79 -0.26 1.22 7.12 -0.86 -2.86 115.31 119.53 1jh4 h LEU 12 Ca 0.17 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.19 1jh4 h LEU 12 Cb 0.12 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1jh4 h LEU 12 CO -0.02 -0.42 0.00 0.00 -0.13 0.00 0.00 178.44 177.87 1jh4 n ALA 13 N -2.69 1.97 0.04 1.25 0.00 -1.08 -2.62 120.51 117.40 1jh4 n ALA 13 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.11 1jh4 n ALA 13 Cb 0.38 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 1jh4 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jh4 h SER 14 N 0.12 0.50 -2.12 0.00 0.87 -0.71 -3.41 113.55 108.80 1jh4 h SER 14 Ca 0.00 -0.87 -0.57 0.00 -1.23 0.00 0.00 61.79 59.12 1jh4 h SER 14 Cb 0.07 -0.16 -0.41 0.00 -0.44 0.00 0.00 62.40 61.46 1jh4 h SER 14 CO 0.00 1.75 -0.83 0.00 -0.53 0.00 0.00 176.83 177.23 1jh4 n ALA 15 N -2.88 3.40 -0.30 6.23 0.00 -1.08 -4.98 120.51 120.90 1jh4 n ALA 15 Ca -0.26 -4.17 0.03 0.00 0.00 0.00 0.00 53.44 49.03 1jh4 n ALA 15 Cb 1.06 -0.85 0.10 0.00 0.00 0.00 0.00 19.45 19.76 1jh4 n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jh4 h PRO 16 N 3.86 -0.01 0.00 0.00 0.10 -1.81 -2.00 132.00 132.14 1jh4 h PRO 16 Ca 0.14 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.24 1jh4 h PRO 16 Cb 0.74 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.85 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 1.96 0.27 1.05 -0.02 -1.26 -4.24 135.00 127.22 1jh4 n PRO 17 Ca 0.12 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.72 1jh4 n PRO 17 Cb 0.43 0.00 0.62 0.00 -0.02 0.00 0.00 33.50 34.53 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 -1.46 -0.52 3.07 -2.05 -0.63 115.11 113.52 1jh4 h GLN 18 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.56 1jh4 h GLN 18 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.48 1jh4 h GLN 18 CO 0.00 0.00 0.23 0.39 0.09 0.00 0.00 178.83 179.54 1jh4 n GLU 19 N -2.58 1.43 0.00 0.06 1.02 -1.25 -4.51 120.64 114.82 1jh4 n GLU 19 Ca -0.02 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 1jh4 n GLU 19 Cb 0.38 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 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 0.53 0.00 -0.01 3.49 10.64 -0.25 -4.22 117.38 127.57 1jh4 n GLN 20 Ca 0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.35 1jh4 n GLN 20 Cb 0.65 -0.32 0.00 0.00 -0.86 0.00 0.00 30.24 29.71 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 -0.09 1.03 0.29 2.61 4.76 -1.26 -4.29 118.16 121.21 1jh4 n LYS 21 Ca 0.00 -0.03 -0.15 0.00 -2.87 0.00 0.00 58.31 55.26 1jh4 n LYS 21 Cb 0.00 -1.34 -0.08 0.00 -1.84 0.00 0.00 35.03 31.77 1jh4 n LYS 21 CO 0.00 0.00 0.00 -0.56 -1.37 0.00 0.00 177.40 175.47 1jh4 h GLN 22 N 0.04 -0.72 0.00 1.97 3.07 -1.76 -3.10 115.11 114.60 1jh4 h GLN 22 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.79 1jh4 h GLN 22 Cb 0.34 0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1jh4 h GLN 22 CO 0.00 -0.41 0.00 -1.33 0.09 0.00 0.00 178.83 177.18 1jh4 n MET 23 N -5.32 0.00 -0.10 0.06 2.81 -1.26 -3.44 117.12 109.87 1jh4 n MET 23 Ca -0.11 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.76 1jh4 n MET 23 Cb 0.33 -0.53 -0.01 0.00 -0.71 0.00 0.00 33.22 32.30 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 -0.03 0.59 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.43 1jh4 n LEU 24 Ca 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 56.01 55.13 1jh4 n LEU 24 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 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 3.15 0.53 0.00 1.47 0.00 -1.17 -4.05 105.19 105.11 1jh4 n GLY 25 Ca 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 4.28 0.00 -0.03 1.61 1.02 -1.26 -4.37 120.64 121.90 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 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.49 0.00 0.12 3.49 5.12 -1.26 -4.91 116.66 118.73 1jh4 n ARG 27 Ca 0.00 -0.37 -0.21 0.00 -1.93 0.00 0.00 57.85 55.34 1jh4 n ARG 27 Cb 0.00 -0.35 -0.14 0.00 -1.16 0.00 0.00 32.46 30.81 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 0.74 -0.61 0.55 3.38 -1.90 -3.23 115.31 114.24 1jh4 h LEU 28 Ca 0.00 -0.75 0.11 0.00 0.09 0.00 0.00 57.88 57.34 1jh4 h LEU 28 Cb 1.01 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 1jh4 h LEU 28 CO 0.00 1.57 0.16 0.15 0.09 0.00 0.00 178.44 180.40 1jh4 h PHE 29 N 0.17 0.25 -0.35 1.13 3.57 -1.79 1.01 116.94 120.93 1jh4 h PHE 29 Ca -0.20 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.34 1jh4 h PHE 29 Cb 2.01 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.72 1jh4 h PHE 29 CO 0.11 -0.01 0.21 -1.35 -2.23 0.00 0.00 178.31 175.04 1jh4 h PRO 30 N 0.29 0.48 -0.23 6.41 0.11 -1.86 0.61 132.00 137.81 1jh4 h PRO 30 Ca 0.32 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 1jh4 h PRO 30 Cb 0.47 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1jh4 h PRO 30 CO -0.39 0.36 -0.21 -0.07 -0.21 0.00 0.00 178.00 177.48 1jh4 h LEU 31 N 0.46 0.57 -0.42 2.35 3.38 -1.31 -3.03 115.31 117.32 1jh4 h LEU 31 Ca 0.13 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 1jh4 h LEU 31 Cb -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1jh4 h LEU 31 CO -0.02 0.92 -0.02 -0.29 0.09 0.00 0.00 178.44 179.12 1jh4 h ILE 32 N 0.23 1.26 -0.96 1.22 -0.00 0.11 -2.40 117.51 116.99 1jh4 h ILE 32 Ca 0.04 -1.07 0.28 0.00 -0.00 0.00 0.00 64.86 64.11 1jh4 h ILE 32 Cb 0.75 1.11 -0.14 0.00 -0.00 0.00 0.00 36.82 38.54 1jh4 h ILE 32 CO 0.05 0.36 0.44 -0.61 -0.00 0.00 0.00 178.15 178.40 1jh4 h GLN 33 N 0.59 0.29 -0.40 2.19 4.15 0.27 2.01 115.11 124.22 1jh4 h GLN 33 Ca 0.12 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1jh4 h GLN 33 Cb 0.52 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1jh4 h GLN 33 CO 0.03 0.19 0.26 0.00 -1.93 0.00 0.00 178.83 177.38 1jh4 h ALA 34 N 1.82 1.81 0.00 3.38 0.00 -1.31 -3.28 119.26 121.68 1jh4 h ALA 34 Ca 0.66 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 55.24 1jh4 h ALA 34 Cb 1.42 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1jh4 h ALA 34 CO -0.62 0.15 -1.97 -1.33 0.00 0.00 0.00 179.25 175.48 1jh4 n MET 35 N -4.48 0.57 -3.52 0.00 2.81 0.37 -5.04 117.12 107.83 1jh4 n MET 35 Ca 0.04 0.27 -0.19 0.00 -1.81 0.00 0.00 57.70 56.01 1jh4 n MET 35 Cb 0.13 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.21 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 -2.11 0.00 2.03 8.25 0.59 -4.97 115.22 114.68 1jh4 n HIS 36 Ca -0.40 0.88 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 1jh4 n HIS 36 Cb 0.75 -4.69 0.00 0.00 1.12 0.00 0.00 29.99 27.18 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 -4.09 0.00 -0.10 -0.41 -0.04 -1.26 -4.73 135.00 124.37 1jh4 n PRO 37 Ca -0.27 0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1jh4 n PRO 37 Cb 0.67 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.95 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 -1.46 1.49 -3.18 0.52 -2.24 -1.26 -5.02 114.28 103.12 1jh4 n THR 38 Ca 0.00 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.88 1jh4 n THR 38 Cb 0.00 -2.25 -0.02 0.00 -2.10 0.00 0.00 70.33 65.96 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 -7.92 -0.70 0.16 3.22 2.96 -1.26 -5.04 118.68 110.09 1jh4 s LEU 39 Ca -0.27 0.50 -0.21 0.00 -0.22 0.00 0.00 54.13 53.93 1jh4 s LEU 39 Cb 0.06 1.61 0.05 0.00 0.50 0.00 0.00 46.19 48.41 1jh4 s LEU 39 CO 0.40 -0.13 1.64 0.00 -1.32 0.00 0.00 176.35 176.94 1jh4 h ALA 40 N 7.94 -0.01 -0.63 5.97 0.00 -1.91 1.07 119.26 131.70 1jh4 h ALA 40 Ca -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1jh4 h ALA 40 Cb 1.16 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 1jh4 h ALA 40 CO 0.01 -0.60 0.29 0.78 0.00 0.00 0.00 179.25 179.74 1jh4 h GLY 41 N -0.17 0.95 0.88 0.00 0.00 -1.96 -2.71 103.07 100.05 1jh4 h GLY 41 Ca 0.16 -0.45 -0.29 0.00 0.00 0.00 0.00 47.33 46.74 1jh4 h GLY 41 CO -0.40 0.43 -1.38 0.50 0.00 0.00 0.00 176.54 175.69 1jh4 h LYS 42 N 0.88 0.38 -0.81 4.80 1.79 -1.80 -3.32 116.57 118.50 1jh4 h LYS 42 Ca 0.22 -0.66 0.10 0.00 -2.18 0.00 0.00 60.65 58.13 1jh4 h LYS 42 Cb 0.10 0.24 -0.08 0.00 -1.58 0.00 0.00 32.23 30.92 1jh4 h LYS 42 CO -0.03 1.31 0.45 0.82 -1.08 0.00 0.00 179.45 180.93 1jh4 h ILE 43 N -0.09 0.88 -0.45 1.86 2.04 0.12 -1.63 117.51 120.23 1jh4 h ILE 43 Ca -0.26 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.41 1jh4 h ILE 43 Cb 1.94 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 38.03 1jh4 h ILE 43 CO 0.17 0.14 0.11 0.74 0.00 0.00 0.00 178.15 179.31 1jh4 h THR 44 N 0.74 0.79 -0.85 -0.27 2.02 -1.61 -0.86 112.91 112.87 1jh4 h THR 44 Ca 0.40 -0.09 0.18 0.00 0.77 0.00 0.00 66.41 67.67 1jh4 h THR 44 Cb 0.40 0.51 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 1jh4 h THR 44 CO -0.27 0.05 0.56 1.23 0.37 0.00 0.00 175.52 177.46 1jh4 h GLY 45 N 0.26 0.84 0.19 2.16 0.00 -1.39 0.19 103.07 105.32 1jh4 h GLY 45 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1jh4 h GLY 45 CO -0.27 0.03 -0.05 -0.33 0.00 0.00 0.00 176.54 175.92 1jh4 h MET 46 N 0.44 -0.14 -0.05 4.80 2.07 -1.13 -3.25 114.93 117.67 1jh4 h MET 46 Ca 0.43 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 58.09 1jh4 h MET 46 Cb 1.02 0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 30.78 1jh4 h MET 46 CO -0.16 0.27 0.09 -0.07 1.07 0.00 0.00 176.91 178.11 1jh4 h LEU 47 N -0.96 0.00 -0.57 1.22 -0.00 -0.75 -2.83 115.31 111.42 1jh4 h LEU 47 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1jh4 h LEU 47 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1jh4 h LEU 47 CO 0.02 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.64 1jh4 n LEU 48 N -3.51 0.00 0.00 1.67 4.32 0.63 -2.91 117.00 117.20 1jh4 n LEU 48 Ca -0.02 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.08 1jh4 n LEU 48 Cb 0.17 0.00 0.52 0.00 -1.62 0.00 0.00 43.42 42.50 1jh4 n LEU 48 CO 0.24 0.00 0.85 -1.84 -1.22 0.00 0.00 177.39 175.42 1jh4 n GLU 49 N 0.06 0.21 -3.78 3.23 0.28 -1.07 -4.80 120.64 114.77 1jh4 n GLU 49 Ca 0.00 0.10 -0.23 0.00 -0.16 0.00 0.00 57.16 56.86 1jh4 n GLU 49 Cb 0.00 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.34 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 2.28 0.38 3.84 1.10 -1.15 -5.11 121.20 119.82 1jh4 s ILE 50 Ca 0.17 -1.46 -0.25 0.00 -0.51 0.00 0.00 60.65 58.60 1jh4 s ILE 50 Cb 0.15 -2.74 -0.09 0.00 0.15 0.00 0.00 42.46 39.93 1jh4 s ILE 50 CO 0.35 0.00 1.09 -0.62 -2.11 0.00 0.00 174.94 173.66 1jh4 s ASP 51 N -4.13 6.79 0.58 4.50 -1.08 -1.26 -4.90 116.67 117.18 1jh4 s ASP 51 Ca 0.43 2.17 0.30 0.00 -0.52 0.00 0.00 52.55 54.93 1jh4 s ASP 51 Cb -0.01 -2.60 1.37 0.00 -1.46 0.00 0.00 42.92 40.21 1jh4 s ASP 51 CO 0.25 -0.48 1.73 -1.13 0.52 0.00 0.00 175.17 176.06 1jh4 h ASN 52 N 2.79 0.00 0.80 -0.34 -0.73 -1.99 0.49 115.58 116.60 1jh4 h ASN 52 Ca -0.48 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 57.59 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 0.63 0.00 -0.46 -1.28 -0.37 0.00 0.00 177.43 175.95 1jh4 h SER 53 N 0.00 0.00 -0.02 1.15 0.87 -2.01 -3.09 113.55 110.45 1jh4 h SER 53 Ca 0.36 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.73 1jh4 h SER 53 Cb 1.86 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.84 1jh4 h SER 53 CO -0.00 0.46 -0.75 -0.33 -0.53 0.00 0.00 176.83 175.68 1jh4 h GLU 54 N 0.00 0.54 -0.48 2.24 4.39 -0.37 -3.14 114.58 117.77 1jh4 h GLU 54 Ca -0.00 -0.56 0.02 0.00 0.34 0.00 0.00 59.36 59.16 1jh4 h GLU 54 Cb 0.99 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 1jh4 h GLU 54 CO 0.06 1.18 0.32 -0.07 -1.16 0.00 0.00 179.01 179.34 1jh4 h LEU 55 N 0.13 0.50 -0.45 1.33 4.07 -1.55 -1.88 115.31 117.46 1jh4 h LEU 55 Ca -0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.83 1jh4 h LEU 55 Cb 1.43 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 43.03 1jh4 h LEU 55 CO 0.15 0.35 0.17 -0.07 -1.08 0.00 0.00 178.44 177.96 1jh4 h LEU 56 N 0.59 0.63 -0.51 1.67 4.07 -1.54 -1.55 115.31 118.66 1jh4 h LEU 56 Ca 0.19 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 57.99 1jh4 h LEU 56 Cb 0.03 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.57 1jh4 h LEU 56 CO -0.04 0.64 0.31 0.45 -1.08 0.00 0.00 178.44 178.71 1jh4 h HIS 57 N 0.58 0.57 -0.29 1.13 3.86 -1.31 -2.29 115.15 117.40 1jh4 h HIS 57 Ca 0.15 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1jh4 h HIS 57 Cb 0.22 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1jh4 h HIS 57 CO 0.01 0.33 0.15 0.52 0.86 0.00 0.00 177.93 179.79 1jh4 h MET 58 N 0.61 0.31 -0.02 2.45 2.86 -1.18 -0.75 114.93 119.20 1jh4 h MET 58 Ca 0.21 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 1jh4 h MET 58 Cb 0.02 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1jh4 h MET 58 CO -0.09 0.20 0.02 1.25 1.06 0.00 0.00 176.91 179.35 1jh4 h LEU 59 N 0.31 0.00 -0.43 1.22 6.46 -0.89 0.21 115.31 122.20 1jh4 h LEU 59 Ca 0.12 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 1jh4 h LEU 59 Cb 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 1jh4 h LEU 59 CO -0.07 0.00 -0.45 -0.62 -0.62 0.00 0.00 178.44 176.68 1jh4 n GLU 60 N -3.88 0.62 -3.50 1.25 1.02 -0.62 -4.69 120.64 110.84 1jh4 n GLU 60 Ca -0.02 -0.43 -0.28 0.00 -0.02 0.00 0.00 57.16 56.41 1jh4 n GLU 60 Cb 0.11 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 1jh4 n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jh4 s SER 61 N -2.67 3.21 0.48 1.62 0.15 0.75 -5.01 113.70 112.22 1jh4 s SER 61 Ca 0.18 -1.59 0.25 0.00 0.70 0.00 0.00 55.95 55.49 1jh4 s SER 61 Cb 0.18 -0.31 1.30 0.00 -1.71 0.00 0.00 66.02 65.48 1jh4 s SER 61 CO 0.61 -0.39 1.86 -0.65 1.20 0.00 0.00 173.24 175.88 1jh4 h PRO 62 N 7.88 0.19 0.30 5.44 0.11 -1.83 0.83 132.00 144.91 1jh4 h PRO 62 Ca -0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1jh4 h PRO 62 Cb 1.00 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1jh4 h PRO 62 CO 0.37 0.12 -0.28 1.05 -0.21 0.00 0.00 178.00 179.05 1jh4 h GLU 63 N 0.19 -0.58 -0.01 1.05 -0.00 -1.95 0.09 114.58 113.38 1jh4 h GLU 63 Ca 0.46 0.04 -0.18 0.00 -0.00 0.00 0.00 59.36 59.68 1jh4 h GLU 63 Cb 1.50 0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 30.37 1jh4 h GLU 63 CO -0.10 -0.39 -0.82 1.03 -0.00 0.00 0.00 179.01 178.73 1jh4 h SER 64 N -0.60 0.22 0.69 3.06 0.87 -1.68 -3.07 113.55 113.04 1jh4 h SER 64 Ca -0.02 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1jh4 h SER 64 Cb 0.54 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1jh4 h SER 64 CO -0.04 0.95 -0.45 0.25 -0.53 0.00 0.00 176.83 177.00 1jh4 h LEU 65 N 0.10 -1.16 -1.86 2.23 7.12 -0.61 -2.40 115.31 118.74 1jh4 h LEU 65 Ca -0.03 0.07 0.05 0.00 0.13 0.00 0.00 57.88 58.09 1jh4 h LEU 65 Cb 1.43 0.34 -0.01 0.00 -0.53 0.00 0.00 40.66 41.89 1jh4 h LEU 65 CO 0.12 -0.68 0.20 0.03 -0.13 0.00 0.00 178.44 177.98 1jh4 h ARG 66 N -1.08 0.17 -0.52 1.25 3.08 -1.08 -2.29 114.38 113.90 1jh4 h ARG 66 Ca -0.09 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.05 1jh4 h ARG 66 Cb 0.87 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.80 1jh4 h ARG 66 CO 0.08 0.11 0.03 0.77 -1.07 0.00 0.00 179.97 179.89 1jh4 h SER 67 N 0.18 -0.15 0.01 7.04 0.02 -1.33 0.60 113.55 119.91 1jh4 h SER 67 Ca 0.13 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1jh4 h SER 67 Cb 0.28 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1jh4 h SER 67 CO -0.02 -0.05 -0.10 0.11 -1.14 0.00 0.00 176.83 175.63 1jh4 h LYS 68 N 0.15 0.05 0.05 3.45 1.57 -1.22 -3.18 116.57 117.44 1jh4 h LYS 68 Ca 0.27 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1jh4 h LYS 68 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1jh4 h LYS 68 CO -0.41 0.92 -0.09 0.28 -0.57 0.00 0.00 179.45 179.59 1jh4 h VAL 69 N -0.79 0.78 -0.37 0.50 2.07 -1.31 -1.53 116.25 115.60 1jh4 h VAL 69 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1jh4 h VAL 69 Cb 0.97 0.78 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 1jh4 h VAL 69 CO 0.02 0.00 -0.41 0.44 0.02 0.00 0.00 177.57 177.64 1jh4 h ASP 70 N -0.18 -1.36 -0.52 0.57 5.19 0.06 0.07 116.42 120.25 1jh4 h ASP 70 Ca 0.02 0.21 0.10 0.00 -0.62 0.00 0.00 57.03 56.74 1jh4 h ASP 70 Cb 0.20 0.59 -0.09 0.00 0.18 0.00 0.00 39.33 40.22 1jh4 h ASP 70 CO -0.05 -0.37 0.00 -0.33 -3.12 0.00 0.00 179.24 175.37 1jh4 h GLU 71 N -0.34 0.12 -0.80 3.56 3.07 -1.49 -0.70 114.58 118.01 1jh4 h GLU 71 Ca 0.14 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.16 1jh4 h GLU 71 Cb 0.58 -0.03 -0.15 0.00 -0.84 0.00 0.00 28.75 28.32 1jh4 h GLU 71 CO -0.55 0.08 -0.11 0.00 -1.40 0.00 0.00 179.01 177.03 1jh4 h ALA 72 N 1.46 0.67 -0.78 3.43 0.00 0.06 0.52 119.26 124.61 1jh4 h ALA 72 Ca 0.26 0.29 0.10 0.00 0.00 0.00 0.00 54.91 55.56 1jh4 h ALA 72 Cb 0.40 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1jh4 h ALA 72 CO -0.43 -0.43 0.42 0.28 0.00 0.00 0.00 179.25 179.09 1jh4 h VAL 73 N 0.03 0.87 0.06 0.00 2.07 -0.47 1.08 116.25 119.90 1jh4 h VAL 73 Ca 0.41 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1jh4 h VAL 73 Cb 0.69 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1jh4 h VAL 73 CO -0.78 0.13 -0.03 0.00 0.02 0.00 0.00 177.57 176.91 1jh4 h ALA 74 N 1.45 -0.08 0.38 1.67 0.00 0.02 -2.86 119.26 119.84 1jh4 h ALA 74 Ca 0.38 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jh4 h ALA 74 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jh4 h ALA 74 CO -0.26 -0.20 -0.18 -0.24 0.00 0.00 0.00 179.25 178.36 1jh4 h VAL 75 N -0.77 0.00 -0.20 0.00 3.04 -0.03 -2.70 116.25 115.60 1jh4 h VAL 75 Ca -0.01 -0.22 0.05 0.00 -1.01 0.00 0.00 66.70 65.51 1jh4 h VAL 75 Cb 0.62 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 29.83 1jh4 h VAL 75 CO 0.01 0.00 -0.38 0.25 -1.01 0.00 0.00 177.57 176.45 1jh4 h LEU 76 N -0.73 -1.20 -1.55 3.16 6.46 0.10 1.87 115.31 123.42 1jh4 h LEU 76 Ca -0.05 0.17 0.23 0.00 -0.12 0.00 0.00 57.88 58.11 1jh4 h LEU 76 Cb 0.39 0.51 -0.07 0.00 -0.73 0.00 0.00 40.66 40.76 1jh4 h LEU 76 CO 0.09 -0.39 0.62 -0.61 -0.62 0.00 0.00 178.44 177.53 1jh4 h GLN 77 N -0.41 0.33 0.00 1.25 5.75 -1.46 0.51 115.11 121.08 1jh4 h GLN 77 Ca 0.10 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 1jh4 h GLN 77 Cb 0.59 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.06 1jh4 h GLN 77 CO -0.42 0.22 -0.16 0.00 -2.65 0.00 0.00 178.83 175.82 1jh4 h ALA 78 N 1.60 0.03 0.00 3.38 0.00 -0.30 -3.31 119.26 120.65 1jh4 h ALA 78 Ca 0.49 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jh4 h ALA 78 Cb 1.33 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1jh4 h ALA 78 CO -0.17 0.09 0.00 0.72 0.00 0.00 0.00 179.25 179.89 1jh4 n HIS 79 N -4.60 0.00 0.31 0.00 8.25 0.60 -3.64 115.22 116.16 1jh4 n HIS 79 Ca -0.12 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.49 1jh4 n HIS 79 Cb 0.48 -0.04 0.62 0.00 1.12 0.00 0.00 29.99 32.17 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 0.03 0.00 -2.32 -0.41 4.15 -0.10 -3.35 115.11 113.12 1jh4 h GLN 80 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.83 1jh4 h GLN 80 Cb 0.19 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 27.49 1jh4 h GLN 80 CO 0.00 0.00 -0.98 0.00 -1.93 0.00 0.00 178.83 175.92 1jh4 n ALA 81 N -2.00 2.82 -0.33 3.38 0.00 -1.24 -4.97 120.51 118.17 1jh4 n ALA 81 Ca 0.01 -3.26 -0.02 0.00 0.00 0.00 0.00 53.44 50.18 1jh4 n ALA 81 Cb 0.29 -0.78 0.13 0.00 0.00 0.00 0.00 19.45 19.10 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 5.27 1.24 -7.28 0.00 1.57 -1.85 -3.43 116.57 112.08 1jh4 h LYS 82 Ca 0.22 -0.09 -0.48 0.00 -1.87 0.00 0.00 60.65 58.43 1jh4 h LYS 82 Cb 0.89 -0.27 0.07 0.00 0.08 0.00 0.00 32.23 33.00 1jh4 h LYS 82 CO 0.41 0.84 0.28 -1.21 -0.57 0.00 0.00 179.45 179.21 1jh4 s GLU 83 N -5.99 2.84 1.05 3.15 0.41 -1.26 -5.05 118.70 113.86 1jh4 s GLU 83 Ca -0.12 0.18 -0.11 0.00 -0.41 0.00 0.00 54.97 54.50 1jh4 s GLU 83 Cb 0.18 -2.16 0.22 0.00 -1.78 0.00 0.00 34.13 30.59 1jh4 s GLU 83 CO 0.81 -0.88 1.08 0.00 -0.49 0.00 0.00 175.26 175.79 1jh4 s ALA 84 N -3.17 0.41 -2.01 5.21 0.00 -1.26 -4.89 121.76 116.06 1jh4 s ALA 84 Ca 0.56 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.82 1jh4 s ALA 84 Cb -0.11 -3.36 0.17 0.00 0.00 0.00 0.00 23.12 19.83 1jh4 s ALA 84 CO 0.48 -3.38 1.14 0.00 0.00 0.00 0.00 175.76 174.00 1jh4 n ALA 85 N -4.63 2.48 -2.69 0.00 0.00 -1.26 -4.84 120.51 109.57 1jh4 n ALA 85 Ca 0.07 -0.28 -0.41 0.00 0.00 0.00 0.00 53.44 52.82 1jh4 n ALA 85 Cb 0.53 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1jh4 n ALA 85 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jh4 s GLN 86 N -1.79 4.36 -0.00 0.00 -1.52 -1.26 -4.93 119.66 114.52 1jh4 s GLN 86 Ca 0.11 1.02 0.19 0.00 -1.95 0.00 0.00 55.36 54.74 1jh4 s GLN 86 Cb 0.06 -3.53 -0.20 0.00 -0.22 0.00 0.00 33.01 29.13 1jh4 s GLN 86 CO 0.08 -0.19 0.60 1.63 -0.25 0.00 0.00 175.29 177.16 1jh4 n LYS 87 N 4.68 0.64 -0.72 2.91 5.02 -1.26 -4.22 118.16 125.21 1jh4 n LYS 87 Ca 0.03 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.27 1jh4 n LYS 87 Cb 0.50 -1.68 0.03 0.00 -0.02 0.00 0.00 35.03 33.86 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jh4 n ALA 88 N -2.41 4.60 -1.22 7.82 0.00 -1.26 -4.65 120.51 123.40 1jh4 n ALA 88 Ca -0.12 -1.04 -0.22 0.00 0.00 0.00 0.00 53.44 52.06 1jh4 n ALA 88 Cb 0.80 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.91 1jh4 n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jh4 n VAL 89 N 0.70 3.44 -0.03 0.00 0.24 -1.26 -4.43 118.33 116.99 1jh4 n VAL 89 Ca 0.19 -2.17 0.05 0.00 -2.04 0.00 0.00 64.34 60.37 1jh4 n VAL 89 Cb 0.58 -2.03 0.24 0.00 -1.47 0.00 0.00 33.84 31.16 1jh4 n VAL 89 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1jh4 n ASN 90 N 2.32 3.65 -4.96 -1.34 6.94 -1.26 -4.91 115.26 115.70 1jh4 n ASN 90 Ca 0.52 -2.45 -0.22 0.00 -0.02 0.00 0.00 54.58 52.40 1jh4 n ASN 90 Cb 0.68 -0.55 -0.01 0.00 -2.36 0.00 0.00 39.78 37.54 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 -0.60 6.28 -0.06 0.53 0.01 -1.26 -4.98 113.70 113.61 1jh4 s SER 91 Ca 0.34 0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.87 1jh4 s SER 91 Cb 0.24 -1.91 0.15 0.00 0.21 0.00 0.00 66.02 64.71 1jh4 s SER 91 CO 0.13 -0.22 0.93 0.00 0.41 0.00 0.00 173.24 174.49 1jh4 n ALA 92 N -1.63 2.91 -2.85 1.44 0.00 -1.26 -4.85 120.51 114.28 1jh4 n ALA 92 Ca -0.06 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.71 1jh4 n ALA 92 Cb 0.57 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.93 1jh4 n ALA 92 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1jh4 s THR 93 N -1.03 4.58 0.10 0.00 -1.32 -1.26 -5.13 115.64 111.58 1jh4 s THR 93 Ca 0.11 -1.34 -0.02 0.00 -1.21 0.00 0.00 61.69 59.23 1jh4 s THR 93 Cb 0.09 -3.48 0.02 0.00 -1.51 0.00 0.00 72.50 67.62 1jh4 s THR 93 CO 0.03 -0.35 0.13 0.61 -2.21 0.00 0.00 174.62 172.83 1jh4 n GLY 94 N -1.21 -1.41 3.49 6.08 0.00 -1.26 -4.99 105.19 105.89 1jh4 n GLY 94 Ca -0.08 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 1jh4 n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jh4 s VAL 95 N -1.27 4.63 0.08 1.61 0.11 -1.26 -5.03 120.40 119.26 1jh4 s VAL 95 Ca 0.07 -0.05 -0.31 0.00 -2.93 0.00 0.00 61.98 58.76 1jh4 s VAL 95 Cb -0.00 -4.41 -0.07 0.00 -1.53 0.00 0.00 36.38 30.37 1jh4 s VAL 95 CO 0.05 -0.94 1.37 -2.16 -3.33 0.00 0.00 175.10 170.09 1jh4 s PRO 96 N 3.30 4.33 -0.00 1.54 0.04 -1.26 -4.91 135.00 138.03 1jh4 s PRO 96 Ca 0.23 2.00 0.20 0.00 0.04 0.00 0.00 61.00 63.48 1jh4 s PRO 96 Cb -0.15 -3.35 -0.22 0.00 0.04 0.00 0.00 34.50 30.81 1jh4 s PRO 96 CO 0.16 -0.45 0.85 0.25 0.04 0.00 0.00 177.00 177.85 1jh4 n THR 97 N 4.14 0.00 0.76 1.26 -2.24 -1.26 -4.93 114.28 112.01 1jh4 n THR 97 Ca 0.12 -0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 1jh4 n THR 97 Cb 0.43 0.96 0.08 0.00 -2.10 0.00 0.00 70.33 69.70 1jh4 n THR 97 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05