#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 -0.08 -2.32 1.61 0.13 -2.11 -3.31 132.00 125.92 1jh4 h PRO 2 Ca 0.00 0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 64.83 1jh4 h PRO 2 Cb 0.00 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.11 1jh4 h PRO 2 CO 0.00 -0.05 0.75 1.28 -0.23 0.00 0.00 178.00 179.75 1jh4 n LEU 3 N -2.35 5.91 -2.93 1.56 4.77 -1.26 -4.58 117.00 118.13 1jh4 n LEU 3 Ca -0.01 -3.37 -0.37 0.00 -0.03 0.00 0.00 56.01 52.24 1jh4 n LEU 3 Cb 0.03 -1.40 0.02 0.00 -2.33 0.00 0.00 43.42 39.75 1jh4 n LEU 3 CO 0.03 1.69 1.16 0.61 -1.33 0.00 0.00 177.39 179.54 1jh4 n GLY 4 N 2.81 5.73 4.00 -0.72 0.00 -1.25 -5.01 105.19 110.76 1jh4 n GLY 4 Ca 0.50 -2.58 -0.20 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.80 5.21 0.00 1.61 1.04 -1.26 -5.02 113.70 113.48 1jh4 s SER 5 Ca 0.49 -0.42 -0.38 0.00 0.48 0.00 0.00 55.95 56.12 1jh4 s SER 5 Cb 0.39 -0.36 -0.17 0.00 0.10 0.00 0.00 66.02 65.98 1jh4 s SER 5 CO -0.31 -1.19 1.39 -2.65 0.98 0.00 0.00 173.24 171.47 1jh4 n PRO 6 N -2.24 1.03 -4.15 4.02 -0.02 -1.26 -4.95 135.00 127.43 1jh4 n PRO 6 Ca 0.11 0.37 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1jh4 n PRO 6 Cb 0.60 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.04 3.62 -0.06 2.45 2.01 -1.26 -5.00 118.68 121.48 1jh4 s LEU 7 Ca 0.88 0.02 -0.08 0.00 0.01 0.00 0.00 54.13 54.96 1jh4 s LEU 7 Cb -1.01 -1.90 -0.29 0.00 0.01 0.00 0.00 46.19 43.00 1jh4 s LEU 7 CO 0.52 0.18 0.62 0.71 1.01 0.00 0.00 176.35 179.39 1jh4 h THR 8 N 4.93 0.89 0.19 5.49 1.35 -1.98 -2.93 112.91 120.84 1jh4 h THR 8 Ca -0.35 -2.52 -0.01 0.00 -0.55 0.00 0.00 66.41 62.97 1jh4 h THR 8 Cb 1.18 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 1jh4 h THR 8 CO 0.67 0.85 -0.10 0.00 -0.25 0.00 0.00 175.52 176.70 1jh4 h ALA 9 N 0.20 -1.04 -0.15 6.62 0.00 -2.01 -2.64 119.26 120.25 1jh4 h ALA 9 Ca -0.35 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1jh4 h ALA 9 Cb 2.07 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1jh4 h ALA 9 CO 0.15 -1.02 0.19 1.03 0.00 0.00 0.00 179.25 179.59 1jh4 h SER 10 N -0.26 0.00 -0.62 0.00 0.87 -1.97 -1.19 113.55 110.37 1jh4 h SER 10 Ca -0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1jh4 h SER 10 Cb 0.20 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 1jh4 h SER 10 CO 0.04 0.00 0.26 0.24 -0.53 0.00 0.00 176.83 176.84 1jh4 h MET 11 N 0.00 0.93 0.51 2.24 2.86 -1.30 0.20 114.93 120.36 1jh4 h MET 11 Ca 0.07 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1jh4 h MET 11 Cb 0.44 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 1jh4 h MET 11 CO -0.00 0.78 -0.33 1.25 1.06 0.00 0.00 176.91 179.67 1jh4 h LEU 12 N 0.87 -0.84 0.00 1.22 7.12 -0.86 -0.50 115.31 122.32 1jh4 h LEU 12 Ca 0.21 0.05 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1jh4 h LEU 12 Cb 0.19 0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.57 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 -2.55 2.06 -0.27 1.25 0.00 -1.10 -2.42 120.51 117.48 1jh4 n ALA 13 Ca -0.12 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.43 1jh4 n ALA 13 Cb 0.36 -1.01 0.29 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.52 3.80 -3.95 0.00 7.64 0.04 -4.95 113.62 115.68 1jh4 n SER 14 Ca 0.01 -2.00 -0.09 0.00 1.01 0.00 0.00 58.87 57.80 1jh4 n SER 14 Cb 0.00 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 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 -1.06 -0.02 0.80 -0.43 0.00 -1.02 -5.04 121.76 115.00 1jh4 s ALA 15 Ca 0.45 -0.52 -0.20 0.00 0.00 0.00 0.00 51.96 51.70 1jh4 s ALA 15 Cb 0.24 0.18 -0.14 0.00 0.00 0.00 0.00 23.12 23.40 1jh4 s ALA 15 CO 0.31 -0.24 -1.10 -2.30 0.00 0.00 0.00 175.76 172.44 1jh4 n PRO 16 N 1.18 0.00 -0.00 0.00 -0.02 -1.26 -4.63 135.00 130.26 1jh4 n PRO 16 Ca -0.21 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.25 1jh4 n PRO 16 Cb 0.57 -0.90 -0.01 0.00 -0.02 0.00 0.00 33.50 33.14 1jh4 n PRO 16 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1jh4 h PRO 17 N -1.10 -0.04 0.00 0.52 0.11 -2.00 -1.83 132.00 127.65 1jh4 h PRO 17 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jh4 h PRO 17 Cb 0.98 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1jh4 h PRO 17 CO 0.15 -0.03 0.00 0.00 -0.21 0.00 0.00 178.00 177.91 1jh4 n GLN 18 N -2.80 0.25 -1.11 1.05 0.00 -1.26 -3.25 117.38 110.26 1jh4 n GLN 18 Ca -0.00 0.10 -0.22 0.00 0.00 0.00 0.00 57.00 56.87 1jh4 n GLN 18 Cb 0.03 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 28.80 1jh4 n GLN 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1jh4 n GLU 19 N -1.32 2.10 0.00 2.61 1.02 -0.69 -4.55 120.64 119.81 1jh4 n GLU 19 Ca 0.09 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.16 1jh4 n GLU 19 Cb 0.18 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1jh4 n GLU 19 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jh4 n GLN 20 N 0.20 0.00 -0.01 3.49 6.02 -1.20 -3.79 117.38 122.09 1jh4 n GLN 20 Ca 0.40 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.57 1jh4 n GLN 20 Cb 0.58 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.89 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 -1.05 1.03 0.22 -1.09 5.02 -1.26 -4.23 118.16 116.80 1jh4 n LYS 21 Ca 0.00 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 1jh4 n LYS 21 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.43 1jh4 n LYS 21 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1jh4 h GLN 22 N 0.03 -0.56 0.00 1.97 1.08 -1.74 -3.19 115.11 112.69 1jh4 h GLN 22 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1jh4 h GLN 22 Cb 0.51 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1jh4 h GLN 22 CO 0.00 -0.26 0.00 -1.33 -0.95 0.00 0.00 178.83 176.30 1jh4 n MET 23 N -5.21 0.00 -0.20 1.46 2.81 -1.26 -3.98 117.12 110.74 1jh4 n MET 23 Ca -0.10 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.72 1jh4 n MET 23 Cb 0.29 -0.24 -0.01 0.00 -0.71 0.00 0.00 33.22 32.55 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 1.27 0.00 4.03 4.32 -1.26 -4.88 117.00 120.47 1jh4 n LEU 24 Ca 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 56.01 54.50 1jh4 n LEU 24 Cb 0.00 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 1jh4 n LEU 24 CO 0.00 -0.80 0.00 0.61 -1.22 0.00 0.00 177.39 175.98 1jh4 n GLY 25 N 3.97 0.40 0.00 -0.72 0.00 -1.21 -4.08 105.19 103.56 1jh4 n GLY 25 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 4.19 0.00 -0.20 1.61 0.00 -1.26 -4.25 120.64 120.73 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 -0.41 0.00 0.00 0.00 0.00 0.00 31.44 31.03 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 -0.26 0.00 0.09 3.44 5.12 -1.26 -4.84 116.66 118.94 1jh4 n ARG 27 Ca 0.00 -0.55 -0.22 0.00 -1.93 0.00 0.00 57.85 55.15 1jh4 n ARG 27 Cb 0.00 -0.40 -0.15 0.00 -1.16 0.00 0.00 32.46 30.75 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 0.62 -0.68 0.55 3.38 -1.91 -3.19 115.31 114.08 1jh4 h LEU 28 Ca 0.00 -0.94 0.14 0.00 0.09 0.00 0.00 57.88 57.18 1jh4 h LEU 28 Cb 1.13 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 1jh4 h LEU 28 CO 0.00 1.55 -0.04 0.15 0.09 0.00 0.00 178.44 180.18 1jh4 h PHE 29 N -0.15 -0.13 -0.38 1.13 3.57 -1.79 1.18 116.94 120.36 1jh4 h PHE 29 Ca -0.20 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.37 1jh4 h PHE 29 Cb 1.87 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 40.75 1jh4 h PHE 29 CO 0.16 -0.23 0.22 -1.35 -2.23 0.00 0.00 178.31 174.89 1jh4 h PRO 30 N 0.08 0.44 -0.13 6.41 0.11 -1.88 0.87 132.00 137.90 1jh4 h PRO 30 Ca 0.35 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.37 1jh4 h PRO 30 Cb 0.58 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jh4 h PRO 30 CO -0.62 0.29 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.23 1jh4 h LEU 31 N 0.45 0.37 -0.51 2.35 3.38 -1.00 -3.02 115.31 117.33 1jh4 h LEU 31 Ca 0.15 -0.51 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 1jh4 h LEU 31 Cb 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1jh4 h LEU 31 CO -0.07 0.80 -0.13 -0.29 0.09 0.00 0.00 178.44 178.83 1jh4 h ILE 32 N -0.06 1.27 -0.90 1.22 -0.00 0.14 -2.38 117.51 116.79 1jh4 h ILE 32 Ca 0.02 -1.29 0.25 0.00 -0.00 0.00 0.00 64.86 63.84 1jh4 h ILE 32 Cb 0.71 1.05 -0.15 0.00 -0.00 0.00 0.00 36.82 38.42 1jh4 h ILE 32 CO 0.04 0.45 0.19 -0.61 -0.00 0.00 0.00 178.15 178.22 1jh4 h GLN 33 N 0.85 0.13 -0.54 2.19 5.75 0.80 2.05 115.11 126.35 1jh4 h GLN 33 Ca 0.13 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.69 1jh4 h GLN 33 Cb 0.70 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 1jh4 h GLN 33 CO 0.05 0.09 0.36 0.00 -2.65 0.00 0.00 178.83 176.68 1jh4 h ALA 34 N 1.84 1.96 0.00 3.38 0.00 -1.30 -3.24 119.26 121.90 1jh4 h ALA 34 Ca 0.57 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 55.03 1jh4 h ALA 34 Cb 1.19 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1jh4 h ALA 34 CO -0.73 -0.06 -2.42 -1.33 0.00 0.00 0.00 179.25 174.71 1jh4 n MET 35 N -4.47 0.59 -3.47 0.00 2.81 0.43 -5.04 117.12 107.96 1jh4 n MET 35 Ca 0.08 0.27 -0.20 0.00 -1.81 0.00 0.00 57.70 56.04 1jh4 n MET 35 Cb 0.30 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.37 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 -4.27 -2.18 0.00 2.03 8.25 0.59 -4.97 115.22 114.67 1jh4 n HIS 36 Ca -0.52 0.80 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1jh4 n HIS 36 Cb 0.86 -4.27 0.00 0.00 1.12 0.00 0.00 29.99 27.70 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 -3.84 0.00 -0.07 -0.41 -0.04 -1.26 -4.77 135.00 124.61 1jh4 n PRO 37 Ca -0.18 0.43 -0.07 0.00 -0.04 0.00 0.00 63.50 63.64 1jh4 n PRO 37 Cb 0.64 -1.18 -0.02 0.00 -0.04 0.00 0.00 33.50 32.90 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 -1.78 1.26 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.60 1jh4 n THR 38 Ca 0.00 0.21 0.05 0.00 -2.27 0.00 0.00 64.05 62.04 1jh4 n THR 38 Cb 0.00 -2.24 -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 -0.76 -0.57 0.00 0.00 175.07 173.74 1jh4 s LEU 39 N -7.54 -0.87 0.22 3.22 1.43 -1.26 -5.05 118.68 108.84 1jh4 s LEU 39 Ca -0.22 0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.33 1jh4 s LEU 39 Cb 0.03 1.72 0.37 0.00 0.03 0.00 0.00 46.19 48.34 1jh4 s LEU 39 CO 0.32 -0.16 1.70 0.00 0.23 0.00 0.00 176.35 178.44 1jh4 h ALA 40 N 7.98 0.83 0.47 4.21 0.00 -1.92 0.48 119.26 131.31 1jh4 h ALA 40 Ca -0.17 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jh4 h ALA 40 Cb 1.17 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1jh4 h ALA 40 CO 0.06 -0.29 -0.23 0.78 0.00 0.00 0.00 179.25 179.56 1jh4 h GLY 41 N 0.30 -0.68 1.17 0.00 0.00 -1.96 -2.47 103.07 99.42 1jh4 h GLY 41 Ca 0.36 0.26 -0.05 0.00 0.00 0.00 0.00 47.33 47.89 1jh4 h GLY 41 CO -0.43 -0.25 0.24 0.50 0.00 0.00 0.00 176.54 176.60 1jh4 h LYS 42 N -0.64 1.05 -0.99 4.80 1.79 -1.96 -2.82 116.57 117.79 1jh4 h LYS 42 Ca -0.07 -0.20 0.09 0.00 -2.18 0.00 0.00 60.65 58.30 1jh4 h LYS 42 Cb 0.49 -0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 30.90 1jh4 h LYS 42 CO 0.10 0.88 0.63 0.97 -1.08 0.00 0.00 179.45 180.95 1jh4 h ILE 43 N 1.01 1.00 -0.64 1.86 2.10 -0.09 -2.14 117.51 120.61 1jh4 h ILE 43 Ca 0.23 -0.36 0.12 0.00 1.08 0.00 0.00 64.86 65.92 1jh4 h ILE 43 Cb 0.26 -0.16 -0.09 0.00 -1.09 0.00 0.00 36.82 35.74 1jh4 h ILE 43 CO -0.01 0.19 0.20 0.74 -1.08 0.00 0.00 178.15 178.19 1jh4 h THR 44 N 1.06 0.67 -0.35 2.19 2.02 -1.17 -0.69 112.91 116.65 1jh4 h THR 44 Ca 0.46 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 1jh4 h THR 44 Cb 0.33 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1jh4 h THR 44 CO -0.22 0.06 0.08 1.23 0.37 0.00 0.00 175.52 177.04 1jh4 h GLY 45 N 0.34 0.54 0.48 2.16 0.00 -1.48 -1.59 103.07 103.52 1jh4 h GLY 45 Ca 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 1jh4 h GLY 45 CO -0.38 0.26 -0.12 -0.33 0.00 0.00 0.00 176.54 175.97 1jh4 h MET 46 N 0.50 -0.32 0.00 4.80 2.07 -1.11 -2.96 114.93 117.91 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 0.20 0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 1jh4 h MET 46 CO -0.00 0.05 0.09 -0.07 1.07 0.00 0.00 176.91 178.04 1jh4 h LEU 47 N -0.86 0.00 -0.37 1.22 -0.00 -1.07 -2.72 115.31 111.51 1jh4 h LEU 47 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1jh4 h LEU 47 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1jh4 h LEU 47 CO 0.06 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.68 1jh4 n LEU 48 N -2.76 0.01 0.05 1.67 4.32 -0.61 -2.74 117.00 116.94 1jh4 n LEU 48 Ca -0.02 -0.01 0.11 0.00 -0.02 0.00 0.00 56.01 56.07 1jh4 n LEU 48 Cb 0.14 -0.01 0.45 0.00 -1.62 0.00 0.00 43.42 42.39 1jh4 n LEU 48 CO 0.15 0.00 0.85 1.21 -1.22 0.00 0.00 177.39 178.38 1jh4 n GLU 49 N -0.14 0.09 -3.93 3.23 0.00 -1.03 -4.79 120.64 114.07 1jh4 n GLU 49 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 57.16 57.16 1jh4 n GLU 49 Cb 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 31.44 29.78 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 -3.08 4.30 0.34 6.31 1.10 -1.11 -5.10 121.20 123.96 1jh4 s ILE 50 Ca 0.09 -1.27 -0.27 0.00 -0.51 0.00 0.00 60.65 58.69 1jh4 s ILE 50 Cb 0.13 -3.43 -0.09 0.00 0.15 0.00 0.00 42.46 39.22 1jh4 s ILE 50 CO 0.42 -0.27 1.13 -1.81 -2.11 0.00 0.00 174.94 172.30 1jh4 s ASP 51 N -3.95 6.93 0.63 4.50 1.11 -1.26 -4.89 116.67 119.74 1jh4 s ASP 51 Ca 0.37 2.28 0.23 0.00 0.18 0.00 0.00 52.55 55.61 1jh4 s ASP 51 Cb -0.08 -2.62 1.13 0.00 1.07 0.00 0.00 42.92 42.42 1jh4 s ASP 51 CO 0.27 -0.39 1.62 -1.13 1.18 0.00 0.00 175.17 176.72 1jh4 h ASN 52 N 3.21 0.00 0.04 0.27 -0.73 -1.99 0.22 115.58 116.61 1jh4 h ASN 52 Ca -0.48 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 0.65 0.00 -0.20 -1.28 -0.37 0.00 0.00 177.43 176.23 1jh4 h SER 53 N 0.00 0.28 0.58 1.15 0.87 -2.02 -2.83 113.55 111.59 1jh4 h SER 53 Ca 0.14 -0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.44 1jh4 h SER 53 Cb 1.47 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1jh4 h SER 53 CO -0.00 0.50 -0.83 -0.33 -0.53 0.00 0.00 176.83 175.64 1jh4 h GLU 54 N 0.27 0.18 -0.77 2.24 4.39 -0.91 -3.14 114.58 116.84 1jh4 h GLU 54 Ca 0.05 -0.18 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 1jh4 h GLU 54 Cb 0.51 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 1jh4 h GLU 54 CO 0.03 0.91 0.27 -0.07 -1.16 0.00 0.00 179.01 178.99 1jh4 h LEU 55 N 0.10 1.10 -0.87 1.33 4.07 -1.54 0.74 115.31 120.23 1jh4 h LEU 55 Ca -0.04 -0.20 -0.10 0.00 0.08 0.00 0.00 57.88 57.63 1jh4 h LEU 55 Cb 1.44 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 42.88 1jh4 h LEU 55 CO 0.13 1.00 -0.24 -0.07 -1.08 0.00 0.00 178.44 178.17 1jh4 h LEU 56 N 1.13 0.56 -0.02 1.67 4.07 -1.57 0.30 115.31 121.45 1jh4 h LEU 56 Ca 0.25 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1jh4 h LEU 56 Cb 0.27 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 1jh4 h LEU 56 CO -0.01 0.80 -0.00 -0.74 -1.08 0.00 0.00 178.44 177.40 1jh4 h HIS 57 N 0.49 0.03 -0.18 1.13 2.76 -1.37 -2.91 115.15 115.11 1jh4 h HIS 57 Ca 0.07 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.09 1jh4 h HIS 57 Cb 0.69 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 1jh4 h HIS 57 CO 0.03 0.34 -0.49 0.00 -1.30 0.00 0.00 177.93 176.51 1jh4 h MET 58 N -0.29 0.47 -0.02 5.26 -0.00 -0.77 0.06 114.93 119.64 1jh4 h MET 58 Ca 0.00 -0.27 0.01 0.00 -0.00 0.00 0.00 59.70 59.45 1jh4 h MET 58 Cb 0.33 0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 31.95 1jh4 h MET 58 CO 0.00 0.85 0.02 1.25 -0.00 0.00 0.00 176.91 179.03 1jh4 h LEU 59 N 0.37 0.00 -1.60 -0.10 6.46 -0.39 -0.41 115.31 119.64 1jh4 h LEU 59 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 1jh4 h LEU 59 Cb 0.99 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1jh4 h LEU 59 CO 0.09 0.00 0.00 -0.62 -0.62 0.00 0.00 178.44 177.29 1jh4 n GLU 60 N -4.24 1.12 -3.57 1.25 -0.58 -1.09 -4.84 120.64 108.69 1jh4 n GLU 60 Ca -0.02 -1.41 -0.29 0.00 -0.42 0.00 0.00 57.16 55.01 1jh4 n GLU 60 Cb 0.11 -1.29 -0.15 0.00 -0.57 0.00 0.00 31.44 29.54 1jh4 n GLU 60 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1jh4 s SER 61 N -1.26 3.57 0.59 1.62 0.15 -0.01 -5.00 113.70 113.35 1jh4 s SER 61 Ca 0.18 -1.44 0.29 0.00 0.70 0.00 0.00 55.95 55.68 1jh4 s SER 61 Cb 0.13 -0.44 1.44 0.00 -1.71 0.00 0.00 66.02 65.43 1jh4 s SER 61 CO 0.19 -0.42 1.84 -0.65 1.20 0.00 0.00 173.24 175.40 1jh4 h PRO 62 N 8.22 0.00 0.73 5.44 0.11 -1.87 -1.55 132.00 143.07 1jh4 h PRO 62 Ca -0.17 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 1jh4 h PRO 62 Cb 1.01 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1jh4 h PRO 62 CO 0.43 0.00 -0.46 1.05 -0.21 0.00 0.00 178.00 178.81 1jh4 h GLU 63 N 0.00 -1.08 -0.04 1.05 -0.00 -1.94 0.20 114.58 112.77 1jh4 h GLU 63 Ca 0.27 0.07 -0.15 0.00 -0.00 0.00 0.00 59.36 59.55 1jh4 h GLU 63 Cb 1.41 0.25 -0.01 0.00 -0.00 0.00 0.00 28.75 30.39 1jh4 h GLU 63 CO -0.00 -0.72 -0.66 0.77 -0.00 0.00 0.00 179.01 178.39 1jh4 h SER 64 N -1.12 0.21 0.37 3.06 0.02 -1.75 -2.97 113.55 111.37 1jh4 h SER 64 Ca -0.09 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1jh4 h SER 64 Cb 0.90 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1jh4 h SER 64 CO 0.09 0.81 -0.27 0.25 -1.14 0.00 0.00 176.83 176.57 1jh4 h LEU 65 N 0.13 -0.71 -2.55 5.07 6.46 -1.15 -1.90 115.31 120.65 1jh4 h LEU 65 Ca -0.01 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1jh4 h LEU 65 Cb 1.19 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1jh4 h LEU 65 CO 0.10 -0.39 0.06 -0.09 -0.62 0.00 0.00 178.44 177.50 1jh4 h ARG 66 N -0.62 0.00 -0.15 1.25 9.65 -1.04 -1.89 114.38 121.59 1jh4 h ARG 66 Ca -0.05 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1jh4 h ARG 66 Cb 0.51 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1jh4 h ARG 66 CO 0.02 0.00 0.06 1.03 2.80 0.00 0.00 179.97 183.88 1jh4 h SER 67 N 0.00 0.20 0.01 -3.80 0.87 -1.20 0.30 113.55 109.93 1jh4 h SER 67 Ca 0.02 -0.14 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1jh4 h SER 67 Cb 0.14 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1jh4 h SER 67 CO -0.00 0.29 -0.01 0.11 -0.53 0.00 0.00 176.83 176.69 1jh4 h LYS 68 N 0.09 -0.01 0.44 2.24 1.79 -0.67 -2.76 116.57 117.69 1jh4 h LYS 68 Ca 0.05 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1jh4 h LYS 68 Cb 0.15 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 1jh4 h LYS 68 CO -0.01 0.68 -0.35 0.28 -1.08 0.00 0.00 179.45 178.97 1jh4 h VAL 69 N -0.74 0.28 -0.38 0.50 2.07 -1.49 -1.27 116.25 115.22 1jh4 h VAL 69 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1jh4 h VAL 69 Cb 0.70 0.28 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1jh4 h VAL 69 CO 0.00 0.00 -0.25 -0.78 0.02 0.00 0.00 177.57 176.56 1jh4 h ASP 70 N -0.79 -0.84 0.08 0.57 3.58 -1.07 -0.97 116.42 116.99 1jh4 h ASP 70 Ca -0.04 0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.59 1jh4 h ASP 70 Cb 0.68 0.42 -0.05 0.00 1.72 0.00 0.00 39.33 42.10 1jh4 h ASP 70 CO -0.01 -0.27 -0.52 -0.33 -2.88 0.00 0.00 179.24 175.23 1jh4 h GLU 71 N -0.19 -0.69 -0.90 0.28 3.07 -1.29 -1.41 114.58 113.44 1jh4 h GLU 71 Ca 0.18 0.05 0.20 0.00 -0.50 0.00 0.00 59.36 59.29 1jh4 h GLU 71 Cb 0.48 0.16 -0.11 0.00 -0.84 0.00 0.00 28.75 28.43 1jh4 h GLU 71 CO -0.49 -0.46 0.45 0.00 -1.40 0.00 0.00 179.01 177.11 1jh4 h ALA 72 N -0.44 1.45 -0.94 3.43 0.00 -0.72 0.56 119.26 122.61 1jh4 h ALA 72 Ca 0.01 0.13 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1jh4 h ALA 72 Cb 0.74 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1jh4 h ALA 72 CO -0.31 -0.24 0.62 0.28 0.00 0.00 0.00 179.25 179.60 1jh4 h VAL 73 N 0.51 0.64 0.40 0.00 2.07 -0.06 1.29 116.25 121.10 1jh4 h VAL 73 Ca 0.55 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.91 1jh4 h VAL 73 Cb 0.96 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1jh4 h VAL 73 CO -0.47 0.07 -0.19 0.00 0.02 0.00 0.00 177.57 177.00 1jh4 h ALA 74 N 1.60 -0.54 0.55 1.67 0.00 0.37 -2.87 119.26 120.04 1jh4 h ALA 74 Ca 0.50 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 1jh4 h ALA 74 Cb 1.27 0.21 0.01 0.00 0.00 0.00 0.00 17.79 19.28 1jh4 h ALA 74 CO -0.19 -0.50 -0.26 0.28 0.00 0.00 0.00 179.25 178.58 1jh4 h VAL 75 N -1.14 0.00 0.04 0.00 2.07 -0.84 -2.80 116.25 113.57 1jh4 h VAL 75 Ca -0.06 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1jh4 h VAL 75 Cb 0.42 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1jh4 h VAL 75 CO 0.09 0.00 -0.42 0.25 0.02 0.00 0.00 177.57 177.51 1jh4 h LEU 76 N -1.12 -1.28 -1.91 2.57 5.85 0.14 1.61 115.31 121.18 1jh4 h LEU 76 Ca -0.08 0.14 0.21 0.00 0.84 0.00 0.00 57.88 59.00 1jh4 h LEU 76 Cb 0.56 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1jh4 h LEU 76 CO 0.12 -0.42 0.63 -0.61 -0.34 0.00 0.00 178.44 177.82 1jh4 h GLN 77 N -0.56 0.00 0.08 1.25 -0.00 -1.47 0.96 115.11 115.38 1jh4 h GLN 77 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.50 1jh4 h GLN 77 Cb 0.58 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.07 1jh4 h GLN 77 CO -0.26 0.00 -0.72 0.00 0.00 0.00 0.00 178.83 177.85 1jh4 h ALA 78 N 1.43 0.02 0.00 3.38 0.00 -0.56 -3.31 119.26 120.22 1jh4 h ALA 78 Ca 0.35 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jh4 h ALA 78 Cb 1.60 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1jh4 h ALA 78 CO -0.00 0.38 0.00 0.72 0.00 0.00 0.00 179.25 180.35 1jh4 n HIS 79 N -4.26 0.00 0.08 0.00 8.25 0.53 -3.37 115.22 116.44 1jh4 n HIS 79 Ca -0.16 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.20 1jh4 n HIS 79 Cb 0.72 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.73 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 0.00 0.08 0.00 -0.41 4.15 0.73 -3.15 115.11 116.52 1jh4 h GLN 80 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1jh4 h GLN 80 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 1jh4 h GLN 80 CO 0.00 1.04 0.00 0.00 -1.93 0.00 0.00 178.83 177.94 1jh4 n ALA 81 N -2.41 2.46 -1.10 3.38 0.00 -1.22 -4.86 120.51 116.77 1jh4 n ALA 81 Ca -0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 1jh4 n ALA 81 Cb 0.94 -1.34 0.11 0.00 0.00 0.00 0.00 19.45 19.16 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jh4 s LYS 82 N -2.00 1.85 -0.12 0.00 1.02 -1.19 -5.00 119.74 114.30 1jh4 s LYS 82 Ca 0.31 1.42 -0.15 0.00 0.02 0.00 0.00 55.97 57.57 1jh4 s LYS 82 Cb 0.14 -1.83 -0.05 0.00 -0.52 0.00 0.00 37.83 35.58 1jh4 s LYS 82 CO 0.24 -1.99 0.38 -1.21 -0.92 0.00 0.00 175.35 171.85 1jh4 s GLU 83 N -4.58 4.21 -0.10 1.68 0.41 -1.26 -5.04 118.70 114.03 1jh4 s GLU 83 Ca 0.66 0.27 -0.29 0.00 -0.41 0.00 0.00 54.97 55.20 1jh4 s GLU 83 Cb -0.21 -3.39 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 1jh4 s GLU 83 CO 0.54 0.30 1.52 0.00 -0.49 0.00 0.00 175.26 177.12 1jh4 s ALA 84 N 0.24 3.63 -0.87 5.21 0.00 -1.26 -4.86 121.76 123.84 1jh4 s ALA 84 Ca 0.21 0.76 0.10 0.00 0.00 0.00 0.00 51.96 53.03 1jh4 s ALA 84 Cb -0.14 -3.70 0.44 0.00 0.00 0.00 0.00 23.12 19.71 1jh4 s ALA 84 CO 0.08 -1.33 1.31 0.00 0.00 0.00 0.00 175.76 175.82 1jh4 n ALA 85 N 6.97 1.32 -0.53 0.00 0.00 -1.26 -3.06 120.51 123.95 1jh4 n ALA 85 Ca 0.16 0.01 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1jh4 n ALA 85 Cb 0.43 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1jh4 n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jh4 n GLN 86 N -1.64 1.24 -0.49 0.00 -0.00 -1.26 -4.56 117.38 110.67 1jh4 n GLN 86 Ca 0.01 -0.48 -0.02 0.00 -0.00 0.00 0.00 57.00 56.52 1jh4 n GLN 86 Cb 0.09 -1.19 0.01 0.00 -0.00 0.00 0.00 30.24 29.15 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1jh4 n LYS 87 N 1.09 1.11 -2.48 2.61 3.00 -1.17 -4.90 118.16 117.41 1jh4 n LYS 87 Ca 0.09 -0.22 -0.37 0.00 -0.00 0.00 0.00 58.31 57.80 1jh4 n LYS 87 Cb 0.53 -1.09 -0.04 0.00 0.00 0.00 0.00 35.03 34.44 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jh4 s ALA 88 N -0.26 3.15 -0.41 3.14 0.00 -1.26 -4.93 121.76 121.18 1jh4 s ALA 88 Ca 0.04 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.75 1jh4 s ALA 88 Cb 0.03 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.92 1jh4 s ALA 88 CO 0.00 -0.26 2.70 0.28 0.00 0.00 0.00 175.76 178.48 1jh4 n VAL 89 N 0.17 3.23 -3.45 0.00 0.31 -1.26 -4.94 118.33 112.39 1jh4 n VAL 89 Ca 0.04 -2.73 -0.33 0.00 -0.01 0.00 0.00 64.34 61.31 1jh4 n VAL 89 Cb 0.48 -1.57 -0.05 0.00 -0.91 0.00 0.00 33.84 31.78 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 0.39 6.65 -0.30 4.52 3.04 -1.26 -4.98 114.94 123.00 1jh4 s ASN 90 Ca 0.55 0.90 -0.03 0.00 0.04 0.00 0.00 52.86 54.33 1jh4 s ASN 90 Cb 0.36 -2.22 0.05 0.00 -1.54 0.00 0.00 41.25 37.90 1jh4 s ASN 90 CO -0.18 -0.01 2.62 -1.20 -3.04 0.00 0.00 177.10 175.30 1jh4 n SER 91 N 0.13 6.17 0.15 -4.21 7.64 -1.26 -4.60 113.62 117.65 1jh4 n SER 91 Ca -0.01 -2.98 -0.06 0.00 1.01 0.00 0.00 58.87 56.83 1jh4 n SER 91 Cb 0.52 -1.20 -0.03 0.00 -1.01 0.00 0.00 64.21 62.49 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jh4 h ALA 92 N 2.37 -0.82 -1.75 -0.43 0.00 -1.96 -3.47 119.26 113.20 1jh4 h ALA 92 Ca 0.30 -0.09 -0.62 0.00 0.00 0.00 0.00 54.91 54.49 1jh4 h ALA 92 Cb 0.94 0.16 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 1jh4 h ALA 92 CO 0.66 -0.79 -0.62 -0.08 0.00 0.00 0.00 179.25 178.42 1jh4 s THR 93 N -3.36 2.11 0.00 0.00 -1.32 -1.26 -5.16 115.64 106.65 1jh4 s THR 93 Ca -0.06 -2.05 0.00 0.00 -1.21 0.00 0.00 61.69 58.37 1jh4 s THR 93 Cb 0.01 -2.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.11 1jh4 s THR 93 CO 0.18 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 1jh4 n GLY 94 N -0.93 -0.28 3.58 6.08 0.00 -1.26 -5.00 105.19 107.38 1jh4 n GLY 94 Ca -0.05 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.27 4.44 0.26 1.61 0.11 -1.26 -5.02 120.40 120.28 1jh4 s VAL 95 Ca 0.00 0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 59.67 1jh4 s VAL 95 Cb 0.00 -4.45 -0.09 0.00 -1.53 0.00 0.00 36.38 30.31 1jh4 s VAL 95 CO 0.00 -0.81 1.28 -2.16 -3.33 0.00 0.00 175.10 170.08 1jh4 s PRO 96 N 3.83 4.41 -0.18 1.54 0.04 -1.26 -4.96 135.00 138.42 1jh4 s PRO 96 Ca 0.39 2.09 -0.10 0.00 0.04 0.00 0.00 61.00 63.42 1jh4 s PRO 96 Cb -0.10 -3.14 -0.22 0.00 0.04 0.00 0.00 34.50 31.08 1jh4 s PRO 96 CO 0.26 -0.17 0.18 -2.37 0.04 0.00 0.00 177.00 174.94 1jh4 n THR 97 N 1.73 1.66 0.20 1.26 5.66 -1.26 -5.33 114.28 118.20 1jh4 n THR 97 Ca 0.03 -0.45 0.02 0.00 -3.05 0.00 0.00 64.05 60.60 1jh4 n THR 97 Cb 0.43 -1.79 0.02 0.00 -1.55 0.00 0.00 70.33 67.44 1jh4 n THR 97 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35