#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 n PRO 2 N 0.00 1.99 -2.61 1.61 -0.04 -1.26 -4.82 135.00 129.87 1jh4 n PRO 2 Ca 0.00 -1.44 -0.42 0.00 -0.04 0.00 0.00 63.50 61.60 1jh4 n PRO 2 Cb 0.00 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.00 1jh4 n PRO 2 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jh4 s LEU 3 N 0.13 3.82 -0.32 1.53 1.98 -1.26 -4.80 118.68 119.76 1jh4 s LEU 3 Ca 0.39 -2.04 0.01 0.00 -2.89 0.00 0.00 54.13 49.60 1jh4 s LEU 3 Cb 0.10 -2.56 0.37 0.00 0.66 0.00 0.00 46.19 44.76 1jh4 s LEU 3 CO -0.03 -1.28 1.71 0.61 -1.89 0.00 0.00 176.35 175.47 1jh4 n GLY 4 N 5.96 3.86 0.11 7.98 0.00 -1.26 -4.32 105.19 117.52 1jh4 n GLY 4 Ca 0.41 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 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 0.93 0.15 -0.65 1.61 0.87 -2.01 -3.44 113.55 111.01 1jh4 h SER 5 Ca 0.39 -0.75 -0.28 0.00 -1.23 0.00 0.00 61.79 59.93 1jh4 h SER 5 Cb 1.76 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.65 1jh4 h SER 5 CO 0.78 1.45 1.10 -2.65 -0.53 0.00 0.00 176.83 176.97 1jh4 n PRO 6 N -4.26 0.55 -2.98 2.24 -0.02 -1.26 -4.90 135.00 124.36 1jh4 n PRO 6 Ca -0.25 -0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 60.50 1jh4 n PRO 6 Cb 0.73 -2.89 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 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 10.85 4.51 -0.01 2.45 2.01 -1.26 -4.97 118.68 132.25 1jh4 s LEU 7 Ca 1.07 1.52 0.05 0.00 0.01 0.00 0.00 54.13 56.78 1jh4 s LEU 7 Cb -0.42 -3.25 -0.24 0.00 0.01 0.00 0.00 46.19 42.29 1jh4 s LEU 7 CO 0.27 0.09 0.78 0.71 1.01 0.00 0.00 176.35 179.22 1jh4 h THR 8 N 3.81 1.05 0.15 5.49 1.35 -1.98 -2.93 112.91 119.84 1jh4 h THR 8 Ca -0.45 -2.80 -0.01 0.00 -0.55 0.00 0.00 66.41 62.60 1jh4 h THR 8 Cb 1.21 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1jh4 h THR 8 CO 0.69 0.71 -0.07 0.00 -0.25 0.00 0.00 175.52 176.59 1jh4 h ALA 9 N 0.74 -1.03 -0.13 6.62 0.00 -2.01 -2.63 119.26 120.82 1jh4 h ALA 9 Ca -0.25 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1jh4 h ALA 9 Cb 1.98 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1jh4 h ALA 9 CO 0.11 -1.02 0.16 0.77 0.00 0.00 0.00 179.25 179.28 1jh4 h SER 10 N -0.20 0.00 -0.57 0.00 0.02 -1.97 -1.23 113.55 109.60 1jh4 h SER 10 Ca -0.02 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1jh4 h SER 10 Cb 0.16 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 1jh4 h SER 10 CO 0.03 0.00 0.23 0.24 -1.14 0.00 0.00 176.83 176.19 1jh4 h MET 11 N 0.00 0.84 0.60 3.45 2.86 -1.31 -0.17 114.93 121.20 1jh4 h MET 11 Ca 0.06 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1jh4 h MET 11 Cb 0.38 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.91 1jh4 h MET 11 CO -0.00 0.72 -0.31 1.25 1.06 0.00 0.00 176.91 179.63 1jh4 h LEU 12 N 0.77 -0.74 0.00 1.22 7.12 -0.86 -1.51 115.31 121.32 1jh4 h LEU 12 Ca 0.19 0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.23 1jh4 h LEU 12 Cb 0.19 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.52 1jh4 h LEU 12 CO -0.02 -0.51 0.00 0.00 -0.13 0.00 0.00 178.44 177.78 1jh4 n ALA 13 N -2.48 2.08 -0.16 1.25 0.00 -1.13 -2.40 120.51 117.67 1jh4 n ALA 13 Ca -0.13 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1jh4 n ALA 13 Cb 0.35 -1.06 0.30 0.00 0.00 0.00 0.00 19.45 19.04 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 -0.60 3.70 -3.90 0.00 2.88 -0.09 -4.93 113.62 110.69 1jh4 n SER 14 Ca 0.03 -2.00 -0.11 0.00 -1.33 0.00 0.00 58.87 55.46 1jh4 n SER 14 Cb 0.01 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 62.93 1jh4 n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jh4 s ALA 15 N -1.11 -0.21 0.84 -1.46 0.00 -1.01 -5.05 121.76 113.75 1jh4 s ALA 15 Ca 0.46 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 1jh4 s ALA 15 Cb 0.24 0.12 -0.08 0.00 0.00 0.00 0.00 23.12 23.41 1jh4 s ALA 15 CO 0.32 -0.20 -0.76 -2.30 0.00 0.00 0.00 175.76 172.82 1jh4 n PRO 16 N 1.48 -0.31 -0.01 0.00 -0.01 -1.26 -4.64 135.00 130.24 1jh4 n PRO 16 Ca -0.23 -0.09 -0.09 0.00 -0.01 0.00 0.00 63.50 63.08 1jh4 n PRO 16 Cb 0.55 -1.09 -0.06 0.00 -0.01 0.00 0.00 33.50 32.90 1jh4 n PRO 16 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 1jh4 h PRO 17 N -1.56 -0.32 0.00 0.52 0.11 -2.00 -2.16 132.00 126.59 1jh4 h PRO 17 Ca -0.25 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1jh4 h PRO 17 Cb 0.86 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1jh4 h PRO 17 CO 0.15 -0.21 0.00 -0.56 -0.21 0.00 0.00 178.00 177.16 1jh4 h GLN 18 N -0.33 0.00 -1.74 1.05 3.07 -2.01 -3.14 115.11 112.01 1jh4 h GLN 18 Ca 0.02 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.50 1jh4 h GLN 18 Cb 0.39 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 27.85 1jh4 h GLN 18 CO -0.27 0.00 0.25 0.39 0.09 0.00 0.00 178.83 179.29 1jh4 n GLU 19 N -2.75 1.71 0.00 0.06 -0.58 -0.81 -4.53 120.64 113.74 1jh4 n GLU 19 Ca 0.02 -1.24 0.00 0.00 -0.42 0.00 0.00 57.16 55.51 1jh4 n GLU 19 Cb 0.31 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1jh4 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jh4 n GLN 20 N 0.88 0.00 0.00 3.49 10.64 -1.19 -3.98 117.38 127.22 1jh4 n GLN 20 Ca 0.26 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.43 1jh4 n GLN 20 Cb 0.58 -0.55 0.00 0.00 -0.86 0.00 0.00 30.24 29.41 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 -0.31 0.95 0.18 2.61 4.76 -1.26 -4.10 118.16 120.99 1jh4 n LYS 21 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1jh4 n LYS 21 Cb 0.00 -1.39 -0.08 0.00 -1.84 0.00 0.00 35.03 31.72 1jh4 n LYS 21 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1jh4 h GLN 22 N 0.04 -0.42 0.00 1.97 1.08 -1.75 -3.26 115.11 112.76 1jh4 h GLN 22 Ca 0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1jh4 h GLN 22 Cb 0.39 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1jh4 h GLN 22 CO 0.00 -0.15 0.00 -1.33 -0.95 0.00 0.00 178.83 176.40 1jh4 n MET 23 N -5.19 0.00 -0.26 1.46 2.81 -1.26 -4.11 117.12 110.57 1jh4 n MET 23 Ca -0.10 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.67 1jh4 n MET 23 Cb 0.25 -0.28 -0.02 0.00 -0.71 0.00 0.00 33.22 32.46 1jh4 n MET 23 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1jh4 n LEU 24 N 0.00 1.25 0.00 4.03 4.32 -1.26 -4.88 117.00 120.45 1jh4 n LEU 24 Ca 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 56.01 54.48 1jh4 n LEU 24 Cb 0.00 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 1jh4 n LEU 24 CO 0.00 -0.97 0.00 0.61 -1.22 0.00 0.00 177.39 175.81 1jh4 n GLY 25 N 4.12 0.62 0.00 -0.72 0.00 -1.23 -3.93 105.19 104.06 1jh4 n GLY 25 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1jh4 n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jh4 n GLU 26 N 5.71 0.00 -0.47 1.61 1.02 -1.26 -4.29 120.64 122.97 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 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 1jh4 n GLU 26 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1jh4 n ARG 27 N -0.36 0.00 -0.00 3.49 3.00 -1.25 -4.81 116.66 116.72 1jh4 n ARG 27 Ca 0.00 -0.63 -0.17 0.00 -0.00 0.00 0.00 57.85 57.05 1jh4 n ARG 27 Cb 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 32.46 32.01 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 0.37 -0.65 6.15 3.38 -1.90 -3.24 115.31 119.43 1jh4 h LEU 28 Ca 0.00 -0.82 0.14 0.00 0.09 0.00 0.00 57.88 57.29 1jh4 h LEU 28 Cb 1.25 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.77 1jh4 h LEU 28 CO 0.00 1.14 -0.03 0.15 0.09 0.00 0.00 178.44 179.79 1jh4 h PHE 29 N -0.36 -0.11 -0.33 1.13 3.57 -1.79 0.70 116.94 119.76 1jh4 h PHE 29 Ca -0.07 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.51 1jh4 h PHE 29 Cb 1.24 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 1jh4 h PHE 29 CO 0.18 -0.20 0.15 -1.35 -2.23 0.00 0.00 178.31 174.85 1jh4 h PRO 30 N 0.09 0.31 -0.26 6.41 0.11 -1.88 0.94 132.00 137.71 1jh4 h PRO 30 Ca 0.34 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.32 1jh4 h PRO 30 Cb 0.55 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jh4 h PRO 30 CO -0.58 0.20 -0.27 -0.07 -0.21 0.00 0.00 178.00 177.07 1jh4 h LEU 31 N 0.32 0.69 -0.40 2.35 3.38 -1.19 -2.99 115.31 117.46 1jh4 h LEU 31 Ca 0.14 -0.48 -0.09 0.00 0.09 0.00 0.00 57.88 57.55 1jh4 h LEU 31 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1jh4 h LEU 31 CO -0.11 1.02 -0.09 -0.29 0.09 0.00 0.00 178.44 179.07 1jh4 h ILE 32 N 0.36 1.27 -0.93 1.22 -0.00 0.48 -2.61 117.51 117.31 1jh4 h ILE 32 Ca 0.04 -1.17 0.27 0.00 -0.00 0.00 0.00 64.86 64.00 1jh4 h ILE 32 Cb 0.83 1.22 -0.15 0.00 -0.00 0.00 0.00 36.82 38.72 1jh4 h ILE 32 CO 0.07 0.39 0.27 1.56 -0.00 0.00 0.00 178.15 180.44 1jh4 h GLN 33 N 0.57 0.16 -0.39 2.19 4.20 0.96 1.74 115.11 124.55 1jh4 h GLN 33 Ca 0.10 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.83 1jh4 h GLN 33 Cb 0.60 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1jh4 h GLN 33 CO 0.04 0.11 0.26 0.00 -0.67 0.00 0.00 178.83 178.56 1jh4 h ALA 34 N 1.85 1.82 0.00 3.87 0.00 -1.32 -3.28 119.26 122.21 1jh4 h ALA 34 Ca 0.61 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 55.16 1jh4 h ALA 34 Cb 1.32 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1jh4 h ALA 34 CO -0.71 0.13 -2.07 -1.33 0.00 0.00 0.00 179.25 175.27 1jh4 n MET 35 N -4.48 0.57 -3.52 0.00 2.81 0.32 -5.03 117.12 107.78 1jh4 n MET 35 Ca 0.04 0.28 -0.22 0.00 -1.81 0.00 0.00 57.70 55.99 1jh4 n MET 35 Cb 0.13 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.22 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 -4.32 -2.65 0.00 2.03 8.25 0.51 -4.97 115.22 114.07 1jh4 n HIS 36 Ca -0.43 0.97 0.00 0.00 -0.26 0.00 0.00 57.72 58.00 1jh4 n HIS 36 Cb 0.78 -4.93 0.00 0.00 1.12 0.00 0.00 29.99 26.96 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 -4.68 0.00 -0.05 -0.41 -0.04 -1.26 -4.68 135.00 123.87 1jh4 n PRO 37 Ca -0.05 0.31 -0.05 0.00 -0.04 0.00 0.00 63.50 63.67 1jh4 n PRO 37 Cb 0.58 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.32 0.86 -3.29 0.52 -2.24 -1.26 -5.03 114.28 102.53 1jh4 n THR 38 Ca 0.00 0.30 0.02 0.00 -2.27 0.00 0.00 64.05 62.10 1jh4 n THR 38 Cb 0.00 -2.00 -0.02 0.00 -2.10 0.00 0.00 70.33 66.21 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jh4 s LEU 39 N -6.68 -1.27 0.16 3.22 1.43 -1.26 -5.05 118.68 109.23 1jh4 s LEU 39 Ca -0.15 0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 53.75 1jh4 s LEU 39 Cb 0.02 2.11 0.07 0.00 0.03 0.00 0.00 46.19 48.43 1jh4 s LEU 39 CO 0.23 -0.25 1.65 0.00 0.23 0.00 0.00 176.35 178.20 1jh4 h ALA 40 N 8.02 0.11 -0.76 4.21 0.00 -1.90 0.94 119.26 129.88 1jh4 h ALA 40 Ca -0.21 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1jh4 h ALA 40 Cb 1.15 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1jh4 h ALA 40 CO 0.22 -0.54 0.40 0.78 0.00 0.00 0.00 179.25 180.11 1jh4 h GLY 41 N -0.10 1.14 1.19 0.00 0.00 -1.97 -2.77 103.07 100.56 1jh4 h GLY 41 Ca 0.18 -0.52 -0.33 0.00 0.00 0.00 0.00 47.33 46.66 1jh4 h GLY 41 CO -0.41 0.50 -1.56 0.50 0.00 0.00 0.00 176.54 175.57 1jh4 h LYS 42 N 1.06 0.39 -0.67 4.80 1.57 -1.82 -3.33 116.57 118.57 1jh4 h LYS 42 Ca 0.27 -0.67 0.12 0.00 -1.87 0.00 0.00 60.65 58.50 1jh4 h LYS 42 Cb 0.05 0.25 -0.09 0.00 0.08 0.00 0.00 32.23 32.53 1jh4 h LYS 42 CO -0.04 1.29 0.22 0.97 -0.57 0.00 0.00 179.45 181.33 1jh4 h ILE 43 N 0.11 0.67 -0.28 1.86 6.09 0.96 -2.28 117.51 124.64 1jh4 h ILE 43 Ca -0.27 -0.13 0.07 0.00 -1.37 0.00 0.00 64.86 63.16 1jh4 h ILE 43 Cb 2.09 0.27 -0.08 0.00 0.47 0.00 0.00 36.82 39.57 1jh4 h ILE 43 CO 0.21 0.07 -0.29 0.74 -3.07 0.00 0.00 178.15 175.80 1jh4 h THR 44 N 0.37 0.30 -0.43 2.19 2.02 -1.60 0.77 112.91 116.53 1jh4 h THR 44 Ca 0.36 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.66 1jh4 h THR 44 Cb 0.52 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1jh4 h THR 44 CO -0.39 0.00 0.35 1.23 0.37 0.00 0.00 175.52 177.09 1jh4 h GLY 45 N -0.29 0.00 0.09 2.16 0.00 -1.53 0.28 103.07 103.77 1jh4 h GLY 45 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1jh4 h GLY 45 CO -0.44 0.00 -0.04 1.98 0.00 0.00 0.00 176.54 178.04 1jh4 h MET 46 N 0.00 -0.11 0.00 4.80 -1.53 -0.73 -3.20 114.93 114.16 1jh4 h MET 46 Ca 0.21 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.47 1jh4 h MET 46 Cb 0.91 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.99 1jh4 h MET 46 CO -0.00 -0.07 0.06 -0.07 0.14 0.00 0.00 176.91 176.96 1jh4 h LEU 47 N -0.17 0.00 -0.43 3.39 -0.00 -1.19 -2.87 115.31 114.04 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 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.75 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 -3.04 0.00 0.00 1.67 4.32 0.07 -2.51 117.00 117.50 1jh4 n LEU 48 Ca -0.03 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.08 1jh4 n LEU 48 Cb 0.12 0.00 0.65 0.00 -1.62 0.00 0.00 43.42 42.57 1jh4 n LEU 48 CO 0.19 0.00 0.91 -1.84 -1.22 0.00 0.00 177.39 175.43 1jh4 n GLU 49 N -0.07 0.44 -3.82 3.23 0.28 -1.08 -4.81 120.64 114.81 1jh4 n GLU 49 Ca 0.00 0.04 -0.24 0.00 -0.16 0.00 0.00 57.16 56.80 1jh4 n GLU 49 Cb 0.00 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.35 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 -2.45 2.05 0.41 3.84 1.10 -1.05 -5.12 121.20 119.99 1jh4 s ILE 50 Ca 0.26 -1.47 -0.24 0.00 -0.51 0.00 0.00 60.65 58.69 1jh4 s ILE 50 Cb 0.17 -2.53 -0.09 0.00 0.15 0.00 0.00 42.46 40.16 1jh4 s ILE 50 CO 0.36 0.00 1.06 -1.81 -2.11 0.00 0.00 174.94 172.44 1jh4 s ASP 51 N -4.18 6.65 0.61 4.50 1.11 -1.26 -4.90 116.67 119.19 1jh4 s ASP 51 Ca 0.40 2.06 0.27 0.00 0.18 0.00 0.00 52.55 55.46 1jh4 s ASP 51 Cb -0.02 -2.59 1.28 0.00 1.07 0.00 0.00 42.92 42.67 1jh4 s ASP 51 CO 0.24 -0.57 1.70 -1.13 1.18 0.00 0.00 175.17 176.59 1jh4 h ASN 52 N 2.36 0.00 0.66 0.27 -0.73 -1.99 0.37 115.58 116.53 1jh4 h ASN 52 Ca -0.48 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 57.55 1jh4 h ASN 52 Cb 1.22 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.79 1jh4 h ASN 52 CO 0.62 0.00 -0.66 -1.28 -0.37 0.00 0.00 177.43 175.74 1jh4 h SER 53 N 0.00 0.00 -0.03 1.15 0.87 -2.00 -3.03 113.55 110.51 1jh4 h SER 53 Ca 0.26 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.66 1jh4 h SER 53 Cb 1.63 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.60 1jh4 h SER 53 CO -0.00 0.66 -0.59 -0.08 -0.53 0.00 0.00 176.83 176.29 1jh4 h GLU 54 N 0.00 0.45 -0.42 2.24 4.22 -0.61 -2.99 114.58 117.47 1jh4 h GLU 54 Ca -0.01 -0.45 -0.01 0.00 0.08 0.00 0.00 59.36 58.98 1jh4 h GLU 54 Cb 1.17 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1jh4 h GLU 54 CO 0.09 1.10 0.22 -0.07 -2.18 0.00 0.00 179.01 178.17 1jh4 h LEU 55 N -0.02 0.52 -1.23 1.64 4.07 -1.60 -0.88 115.31 117.80 1jh4 h LEU 55 Ca -0.07 -0.03 -0.08 0.00 0.08 0.00 0.00 57.88 57.78 1jh4 h LEU 55 Cb 1.28 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1jh4 h LEU 55 CO 0.12 0.43 -0.34 -0.07 -1.08 0.00 0.00 178.44 177.49 1jh4 h LEU 56 N 0.59 0.07 -1.02 1.67 3.38 -1.54 -2.47 115.31 115.98 1jh4 h LEU 56 Ca 0.15 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1jh4 h LEU 56 Cb 0.03 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1jh4 h LEU 56 CO -0.02 0.41 -0.03 0.45 0.09 0.00 0.00 178.44 179.34 1jh4 h HIS 57 N 0.06 0.71 -0.69 1.13 3.86 -1.01 -2.79 115.15 116.43 1jh4 h HIS 57 Ca 0.01 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1jh4 h HIS 57 Cb 0.64 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 1jh4 h HIS 57 CO 0.00 0.69 0.33 0.52 0.86 0.00 0.00 177.93 180.33 1jh4 h MET 58 N 0.62 0.99 -0.19 2.45 2.86 -1.23 0.21 114.93 120.65 1jh4 h MET 58 Ca 0.12 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1jh4 h MET 58 Cb 0.43 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1jh4 h MET 58 CO 0.02 0.79 0.12 -0.07 1.06 0.00 0.00 176.91 178.83 1jh4 h LEU 59 N 0.96 0.20 -2.02 1.22 3.38 -1.44 -0.28 115.31 117.33 1jh4 h LEU 59 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1jh4 h LEU 59 Cb 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1jh4 h LEU 59 CO -0.03 0.15 0.00 -1.84 0.09 0.00 0.00 178.44 176.81 1jh4 n GLU 60 N -4.51 2.38 -3.37 1.13 0.28 -0.87 -4.71 120.64 110.96 1jh4 n GLU 60 Ca -0.00 -2.02 -0.24 0.00 -0.16 0.00 0.00 57.16 54.74 1jh4 n GLU 60 Cb 0.09 -1.47 -0.09 0.00 1.43 0.00 0.00 31.44 31.39 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1jh4 s SER 61 N -1.88 1.78 0.33 -1.84 0.01 0.70 -5.00 113.70 107.79 1jh4 s SER 61 Ca 0.31 -2.24 0.09 0.00 1.31 0.00 0.00 55.95 55.41 1jh4 s SER 61 Cb 0.21 -0.01 0.81 0.00 0.21 0.00 0.00 66.02 67.24 1jh4 s SER 61 CO 0.30 -0.24 1.80 -0.65 0.41 0.00 0.00 173.24 174.87 1jh4 h PRO 62 N 6.52 0.67 0.18 12.44 0.11 -1.83 0.37 132.00 150.47 1jh4 h PRO 62 Ca 0.12 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.19 1jh4 h PRO 62 Cb 0.99 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 1jh4 h PRO 62 CO 0.26 0.45 -0.21 1.05 -0.21 0.00 0.00 178.00 179.33 1jh4 h GLU 63 N 0.69 -0.43 -0.03 1.05 -0.00 -1.95 -0.52 114.58 113.40 1jh4 h GLU 63 Ca 0.54 0.03 -0.14 0.00 -0.00 0.00 0.00 59.36 59.79 1jh4 h GLU 63 Cb 0.93 0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 29.76 1jh4 h GLU 63 CO -0.31 -0.28 -0.63 1.03 -0.00 0.00 0.00 179.01 178.81 1jh4 h SER 64 N -0.44 0.15 0.46 3.06 0.87 -1.74 -2.98 113.55 112.93 1jh4 h SER 64 Ca 0.01 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1jh4 h SER 64 Cb 0.43 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1jh4 h SER 64 CO -0.07 0.74 -0.38 0.25 -0.53 0.00 0.00 176.83 176.83 1jh4 h LEU 65 N 0.09 -1.02 -1.72 2.23 7.12 0.17 -2.14 115.31 120.04 1jh4 h LEU 65 Ca -0.01 0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.05 1jh4 h LEU 65 Cb 1.13 0.33 -0.00 0.00 -0.53 0.00 0.00 40.66 41.58 1jh4 h LEU 65 CO 0.09 -0.55 -0.10 0.03 -0.13 0.00 0.00 178.44 177.78 1jh4 h ARG 66 N -0.84 0.04 -0.52 1.25 2.47 -1.15 -2.55 114.38 113.08 1jh4 h ARG 66 Ca -0.04 -0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.77 1jh4 h ARG 66 Cb 0.73 -0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.95 1jh4 h ARG 66 CO -0.02 0.15 -0.02 1.03 0.56 0.00 0.00 179.97 181.68 1jh4 h SER 67 N 0.04 -0.26 0.10 7.04 0.87 -1.22 0.44 113.55 120.57 1jh4 h SER 67 Ca 0.01 0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 1jh4 h SER 67 Cb 0.21 0.24 0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1jh4 h SER 67 CO 0.01 -0.09 -0.65 0.11 -0.53 0.00 0.00 176.83 175.68 1jh4 h LYS 68 N 0.10 0.26 -0.17 2.24 1.57 -1.34 -3.22 116.57 116.01 1jh4 h LYS 68 Ca 0.27 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1jh4 h LYS 68 Cb 0.41 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1jh4 h LYS 68 CO -0.45 1.18 -0.04 0.28 -0.57 0.00 0.00 179.45 179.85 1jh4 h VAL 69 N -0.44 0.83 -0.39 0.50 2.07 -1.21 -2.05 116.25 115.55 1jh4 h VAL 69 Ca -0.11 -0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.49 1jh4 h VAL 69 Cb 1.50 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 32.00 1jh4 h VAL 69 CO 0.12 0.00 -0.26 0.44 0.02 0.00 0.00 177.57 177.90 1jh4 h ASP 70 N 0.01 -0.86 -0.45 0.57 5.19 -0.25 -0.85 116.42 119.77 1jh4 h ASP 70 Ca 0.08 0.17 0.09 0.00 -0.62 0.00 0.00 57.03 56.76 1jh4 h ASP 70 Cb 0.12 0.43 -0.09 0.00 0.18 0.00 0.00 39.33 39.97 1jh4 h ASP 70 CO -0.17 -0.28 -0.20 -0.33 -3.12 0.00 0.00 179.24 175.14 1jh4 h GLU 71 N -0.19 -0.10 -0.79 3.56 4.39 -1.45 -0.89 114.58 119.11 1jh4 h GLU 71 Ca 0.19 0.01 0.18 0.00 0.34 0.00 0.00 59.36 60.07 1jh4 h GLU 71 Cb 0.49 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 29.02 1jh4 h GLU 71 CO -0.50 -0.07 -0.05 0.00 -1.16 0.00 0.00 179.01 177.23 1jh4 h ALA 72 N 1.23 0.76 -0.96 3.43 0.00 -0.48 0.62 119.26 123.86 1jh4 h ALA 72 Ca 0.22 0.27 0.18 0.00 0.00 0.00 0.00 54.91 55.57 1jh4 h ALA 72 Cb 0.44 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.63 1jh4 h ALA 72 CO -0.52 -0.44 0.61 0.28 0.00 0.00 0.00 179.25 179.18 1jh4 h VAL 73 N 0.06 0.75 0.00 0.00 2.07 -0.79 0.86 116.25 119.20 1jh4 h VAL 73 Ca 0.43 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1jh4 h VAL 73 Cb 0.74 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1jh4 h VAL 73 CO -0.73 0.13 0.00 0.00 0.02 0.00 0.00 177.57 176.98 1jh4 n ALA 74 N -2.40 -0.16 0.09 1.67 0.00 0.20 -2.56 120.51 117.35 1jh4 n ALA 74 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.49 1jh4 n ALA 74 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.92 1jh4 n ALA 74 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jh4 h VAL 75 N 0.00 0.00 -0.19 0.00 2.07 -1.01 -1.22 116.25 115.91 1jh4 h VAL 75 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1jh4 h VAL 75 Cb 0.00 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.70 1jh4 h VAL 75 CO 0.00 0.00 -0.37 0.25 0.02 0.00 0.00 177.57 177.47 1jh4 h LEU 76 N -0.69 -1.17 -1.74 2.57 5.85 0.57 1.53 115.31 122.23 1jh4 h LEU 76 Ca -0.00 0.17 0.24 0.00 0.84 0.00 0.00 57.88 59.12 1jh4 h LEU 76 Cb 0.71 0.49 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1jh4 h LEU 76 CO -0.29 -0.38 0.62 -0.61 -0.34 0.00 0.00 178.44 177.44 1jh4 h GLN 77 N -0.41 0.20 0.00 1.25 5.75 -1.34 0.74 115.11 121.30 1jh4 h GLN 77 Ca 0.10 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 1jh4 h GLN 77 Cb 0.58 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1jh4 h GLN 77 CO -0.41 0.13 0.00 0.00 -2.65 0.00 0.00 178.83 175.90 1jh4 n ALA 78 N -2.61 0.00 0.09 3.38 0.00 0.14 -4.28 120.51 117.22 1jh4 n ALA 78 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 1jh4 n ALA 78 Cb 0.84 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.21 1jh4 n ALA 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jh4 h HIS 79 N 0.00 -0.17 -0.23 0.00 3.86 0.20 -3.25 115.15 115.56 1jh4 h HIS 79 Ca 0.00 -0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.50 1jh4 h HIS 79 Cb 0.00 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 1jh4 h HIS 79 CO 0.00 0.01 3.24 0.94 0.86 0.00 0.00 177.93 182.98 1jh4 n GLN 80 N -5.11 3.38 -1.84 2.45 -0.06 0.26 -4.74 117.38 111.72 1jh4 n GLN 80 Ca -0.09 -2.61 -0.35 0.00 -2.00 0.00 0.00 57.00 51.96 1jh4 n GLN 80 Cb 0.15 -3.02 -0.01 0.00 -4.06 0.00 0.00 30.24 23.29 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 4.60 6.49 -1.91 1.69 0.00 -1.23 -4.50 120.51 125.65 1jh4 n ALA 81 Ca 0.62 -3.72 -0.39 0.00 0.00 0.00 0.00 53.44 49.94 1jh4 n ALA 81 Cb 0.32 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jh4 s LYS 82 N -2.65 2.73 -0.24 0.00 2.20 -1.26 -4.83 119.74 115.70 1jh4 s LYS 82 Ca 0.54 1.06 -0.01 0.00 -0.36 0.00 0.00 55.97 57.20 1jh4 s LYS 82 Cb 0.35 -4.38 0.16 0.00 -1.51 0.00 0.00 37.83 32.45 1jh4 s LYS 82 CO -0.25 -2.58 1.99 -0.85 -0.36 0.00 0.00 175.35 173.30 1jh4 n GLU 83 N 8.92 1.60 0.22 4.03 0.28 -1.26 -4.31 120.64 130.12 1jh4 n GLU 83 Ca 0.25 -1.17 0.10 0.00 -0.16 0.00 0.00 57.16 56.18 1jh4 n GLU 83 Cb 0.51 -1.46 0.36 0.00 1.43 0.00 0.00 31.44 32.28 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jh4 h ALA 84 N 1.37 0.95 -0.02 -1.84 0.00 -1.99 -2.37 119.26 115.35 1jh4 h ALA 84 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jh4 h ALA 84 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jh4 h ALA 84 CO 0.56 0.23 -0.08 0.00 0.00 0.00 0.00 179.25 179.96 1jh4 h ALA 85 N 1.82 0.04 -0.40 0.00 0.00 -1.98 -3.22 119.26 115.52 1jh4 h ALA 85 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1jh4 h ALA 85 Cb 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1jh4 h ALA 85 CO 0.02 -0.08 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1jh4 n GLN 86 N -4.69 3.15 -0.01 0.00 1.13 -1.23 -4.39 117.38 111.34 1jh4 n GLN 86 Ca -0.09 -1.94 -0.01 0.00 -1.94 0.00 0.00 57.00 53.03 1jh4 n GLN 86 Cb 0.37 -1.84 -0.00 0.00 0.11 0.00 0.00 30.24 28.88 1jh4 n GLN 86 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1jh4 h LYS 87 N 2.61 0.00 -5.70 -1.09 3.11 -1.43 -3.42 116.57 110.66 1jh4 h LYS 87 Ca 0.00 0.00 -0.47 0.00 -2.81 0.00 0.00 60.65 57.37 1jh4 h LYS 87 Cb 1.24 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 32.41 1jh4 h LYS 87 CO 0.24 0.00 1.44 0.00 -2.81 0.00 0.00 179.45 178.32 1jh4 s ALA 88 N -2.95 2.38 -0.54 5.00 0.00 -1.25 -4.83 121.76 119.56 1jh4 s ALA 88 Ca -0.02 -2.33 -0.07 0.00 0.00 0.00 0.00 51.96 49.54 1jh4 s ALA 88 Cb 0.00 -4.64 -0.19 0.00 0.00 0.00 0.00 23.12 18.29 1jh4 s ALA 88 CO 0.03 -4.37 3.25 0.28 0.00 0.00 0.00 175.76 174.94 1jh4 n VAL 89 N 7.26 3.28 -3.47 0.00 0.31 -1.26 -4.77 118.33 119.67 1jh4 n VAL 89 Ca 0.44 -1.78 -0.43 0.00 -0.01 0.00 0.00 64.34 62.57 1jh4 n VAL 89 Cb 0.47 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.18 1jh4 n VAL 89 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1jh4 s ASN 90 N 2.15 6.34 -0.17 4.52 3.84 -1.26 -5.05 114.94 125.31 1jh4 s ASN 90 Ca 0.64 -3.00 -0.15 0.00 0.21 0.00 0.00 52.86 50.57 1jh4 s ASN 90 Cb 0.26 -2.08 -0.04 0.00 -0.55 0.00 0.00 41.25 38.83 1jh4 s ASN 90 CO -0.02 -0.43 0.34 -0.55 -2.79 0.00 0.00 177.10 173.65 1jh4 s SER 91 N 1.35 6.46 1.03 -4.21 0.15 -1.26 -5.08 113.70 112.13 1jh4 s SER 91 Ca 0.21 0.53 -0.14 0.00 0.70 0.00 0.00 55.95 57.25 1jh4 s SER 91 Cb -0.12 -2.21 0.20 0.00 -1.71 0.00 0.00 66.02 62.18 1jh4 s SER 91 CO -0.08 0.04 1.13 0.00 1.20 0.00 0.00 173.24 175.53 1jh4 s ALA 92 N 0.73 1.16 0.05 5.45 0.00 -1.26 -5.06 121.76 122.84 1jh4 s ALA 92 Ca 0.18 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1jh4 s ALA 92 Cb -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 1jh4 s ALA 92 CO 0.06 -2.86 -0.04 0.95 0.00 0.00 0.00 175.76 173.86 1jh4 s THR 93 N -3.13 3.79 0.00 0.00 -4.23 -1.26 -5.13 115.64 105.68 1jh4 s THR 93 Ca 0.67 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1jh4 s THR 93 Cb -0.14 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1jh4 s THR 93 CO 0.56 0.24 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 1jh4 n GLY 94 N 1.02 1.36 0.08 3.99 0.00 -1.26 -5.08 105.19 105.31 1jh4 n GLY 94 Ca -0.13 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 1jh4 n GLY 94 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1jh4 n VAL 95 N 0.00 1.42 -2.42 1.61 0.31 -1.26 -4.99 118.33 112.99 1jh4 n VAL 95 Ca 0.00 0.16 -0.37 0.00 -0.01 0.00 0.00 64.34 64.12 1jh4 n VAL 95 Cb 0.00 -2.30 -0.03 0.00 -0.91 0.00 0.00 33.84 30.60 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 -2.79 4.05 0.41 5.55 0.04 -1.26 -5.06 135.00 135.93 1jh4 s PRO 96 Ca -0.27 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 1jh4 s PRO 96 Cb 0.04 -2.54 0.08 0.00 0.04 0.00 0.00 34.50 32.12 1jh4 s PRO 96 CO 0.40 -0.27 0.56 0.25 0.04 0.00 0.00 177.00 177.98 1jh4 n THR 97 N -0.14 0.00 0.75 1.26 -2.24 -1.26 -5.19 114.28 107.47 1jh4 n THR 97 Ca 0.05 -0.83 0.09 0.00 -2.27 0.00 0.00 64.05 61.10 1jh4 n THR 97 Cb 0.49 -1.17 0.08 0.00 -2.10 0.00 0.00 70.33 67.62 1jh4 n THR 97 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83