#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 s PRO 2 N 0.00 3.80 -0.02 1.61 0.04 -1.26 -4.99 135.00 134.18 1jh4 s PRO 2 Ca 0.00 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1jh4 s PRO 2 Cb 0.00 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1jh4 s PRO 2 CO 0.00 -0.51 1.14 -1.17 0.04 0.00 0.00 177.00 176.50 1jh4 s LEU 3 N -2.98 4.31 0.00 -3.56 1.98 -1.26 -4.99 118.68 112.18 1jh4 s LEU 3 Ca 0.63 1.81 0.00 0.00 -2.89 0.00 0.00 54.13 53.67 1jh4 s LEU 3 Cb -0.28 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.00 1jh4 s LEU 3 CO 0.34 -0.49 0.00 0.61 -1.89 0.00 0.00 176.35 174.92 1jh4 n GLY 4 N 3.22 1.72 3.29 7.98 0.00 -1.26 -4.77 105.19 115.37 1jh4 n GLY 4 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 1jh4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jh4 s SER 5 N -1.00 6.53 -0.83 1.61 0.01 -1.26 -5.01 113.70 113.75 1jh4 s SER 5 Ca 0.00 -2.71 -0.21 0.00 1.31 0.00 0.00 55.95 54.34 1jh4 s SER 5 Cb 0.00 -2.16 -0.19 0.00 0.21 0.00 0.00 66.02 63.88 1jh4 s SER 5 CO 0.00 -0.55 2.36 -2.65 0.41 0.00 0.00 173.24 172.81 1jh4 n PRO 6 N 3.91 0.42 -2.97 12.44 -0.02 -1.26 -4.90 135.00 142.62 1jh4 n PRO 6 Ca 0.13 -0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 60.76 1jh4 n PRO 6 Cb 0.45 -2.77 -0.06 0.00 -0.02 0.00 0.00 33.50 31.10 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 10.02 4.49 -0.05 2.45 1.98 -1.26 -4.99 118.68 131.32 1jh4 s LEU 7 Ca 1.07 1.63 -0.05 0.00 -2.89 0.00 0.00 54.13 53.90 1jh4 s LEU 7 Cb -0.41 -3.50 -0.28 0.00 0.66 0.00 0.00 46.19 42.66 1jh4 s LEU 7 CO 0.27 0.12 0.65 0.71 -1.89 0.00 0.00 176.35 176.20 1jh4 h THR 8 N 3.05 0.91 0.05 3.68 1.35 -1.98 -2.85 112.91 117.12 1jh4 h THR 8 Ca -0.47 -2.58 -0.00 0.00 -0.55 0.00 0.00 66.41 62.81 1jh4 h THR 8 Cb 1.20 2.66 -0.00 0.00 -1.73 0.00 0.00 68.15 70.28 1jh4 h THR 8 CO 0.66 0.82 -0.03 0.00 -0.25 0.00 0.00 175.52 176.71 1jh4 h ALA 9 N 0.32 -0.93 -0.09 6.62 0.00 -2.01 -2.46 119.26 120.70 1jh4 h ALA 9 Ca -0.33 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1jh4 h ALA 9 Cb 2.05 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 1jh4 h ALA 9 CO 0.14 -0.93 0.12 1.03 0.00 0.00 0.00 179.25 179.62 1jh4 h SER 10 N -0.08 0.00 -0.79 0.00 0.87 -1.98 -1.20 113.55 110.38 1jh4 h SER 10 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1jh4 h SER 10 Cb 0.06 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 1jh4 h SER 10 CO 0.01 0.00 0.33 -0.03 -0.53 0.00 0.00 176.83 176.60 1jh4 h MET 11 N 0.00 1.17 0.61 2.24 1.85 -1.25 -0.28 114.93 119.28 1jh4 h MET 11 Ca 0.04 -0.21 -0.03 0.00 -0.61 0.00 0.00 59.70 58.90 1jh4 h MET 11 Cb 0.29 -0.19 0.01 0.00 0.43 0.00 0.00 31.60 32.14 1jh4 h MET 11 CO -0.00 0.94 -0.29 1.25 -0.40 0.00 0.00 176.91 178.41 1jh4 h LEU 12 N 1.14 -0.70 0.00 3.39 7.12 -0.75 -1.55 115.31 123.96 1jh4 h LEU 12 Ca 0.26 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.28 1jh4 h LEU 12 Cb 0.20 0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1jh4 h LEU 12 CO -0.02 -0.47 0.00 0.00 -0.13 0.00 0.00 178.44 177.82 1jh4 n ALA 13 N -2.47 2.08 -0.17 1.25 0.00 -1.12 -2.26 120.51 117.82 1jh4 n ALA 13 Ca -0.13 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.40 1jh4 n ALA 13 Cb 0.34 -1.08 0.28 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.64 3.76 -4.07 0.00 7.64 -0.13 -4.94 113.62 115.24 1jh4 n SER 14 Ca 0.04 -1.99 -0.15 0.00 1.01 0.00 0.00 58.87 57.77 1jh4 n SER 14 Cb 0.02 -0.41 -0.12 0.00 -1.01 0.00 0.00 64.21 62.69 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 -1.14 0.69 0.73 -0.43 0.00 -0.96 -5.04 121.76 115.61 1jh4 s ALA 15 Ca 0.45 -0.72 -0.06 0.00 0.00 0.00 0.00 51.96 51.63 1jh4 s ALA 15 Cb 0.24 -0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.42 1jh4 s ALA 15 CO 0.32 0.05 0.15 -2.30 0.00 0.00 0.00 175.76 173.97 1jh4 n PRO 16 N 1.71 -1.05 0.00 0.00 -0.01 -1.26 -4.65 135.00 129.74 1jh4 n PRO 16 Ca -0.21 -0.31 0.00 0.00 -0.01 0.00 0.00 63.50 62.97 1jh4 n PRO 16 Cb 0.55 -1.20 0.00 0.00 -0.01 0.00 0.00 33.50 32.84 1jh4 n PRO 16 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 1jh4 n PRO 17 N 0.33 0.00 0.27 0.52 -0.02 -1.26 -2.30 135.00 132.54 1jh4 n PRO 17 Ca 0.03 0.26 0.16 0.00 -2.02 0.00 0.00 63.50 61.92 1jh4 n PRO 17 Cb 0.15 -0.96 0.83 0.00 -0.02 0.00 0.00 33.50 33.50 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 -1.53 -0.52 3.07 -2.03 -1.88 115.11 112.22 1jh4 h GLN 18 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 1jh4 h GLN 18 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.50 1jh4 h GLN 18 CO 0.00 0.00 0.17 0.39 0.09 0.00 0.00 178.83 179.48 1jh4 n GLU 19 N -2.68 1.33 0.00 0.06 1.02 -0.97 -4.45 120.64 114.94 1jh4 n GLU 19 Ca -0.02 -0.67 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 1jh4 n GLU 19 Cb 0.19 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 0.72 0.00 0.00 3.49 10.64 -0.71 -4.10 117.38 127.42 1jh4 n GLN 20 Ca 0.13 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 1jh4 n GLN 20 Cb 0.60 -0.26 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 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 -0.01 0.95 0.29 2.61 4.76 -1.26 -4.18 118.16 121.31 1jh4 n LYS 21 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1jh4 n LYS 21 Cb 0.00 -1.33 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 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 -0.72 0.00 1.97 -0.00 -1.76 -3.18 115.11 111.45 1jh4 h GLN 22 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1jh4 h GLN 22 Cb 0.33 0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.98 1jh4 h GLN 22 CO 0.00 -0.48 0.00 -1.33 0.00 0.00 0.00 178.83 177.02 1jh4 n MET 23 N -4.46 0.00 -0.18 1.69 0.00 -1.26 -3.49 117.12 109.41 1jh4 n MET 23 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.56 1jh4 n MET 23 Cb 0.30 -0.44 -0.01 0.00 0.00 0.00 0.00 33.22 33.07 1jh4 n MET 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1jh4 n LEU 24 N 0.00 1.15 0.00 4.03 -0.00 -1.26 -4.89 117.00 116.03 1jh4 n LEU 24 Ca 0.00 -1.32 0.00 0.00 -0.00 0.00 0.00 56.01 54.69 1jh4 n LEU 24 Cb 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 42.90 1jh4 n LEU 24 CO 0.00 -0.56 0.00 0.61 -0.00 0.00 0.00 177.39 177.44 1jh4 n GLY 25 N 3.62 0.47 0.00 1.47 0.00 -1.20 -4.13 105.19 105.42 1jh4 n GLY 25 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 4.11 0.00 -0.05 1.61 0.00 -1.26 -4.36 120.64 120.69 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 -0.42 0.00 0.00 0.00 0.00 0.00 31.44 31.02 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 -0.27 0.00 0.07 3.44 3.00 -1.26 -4.91 116.66 116.74 1jh4 n ARG 27 Ca 0.00 -0.47 -0.21 0.00 -0.00 0.00 0.00 57.85 57.17 1jh4 n ARG 27 Cb 0.00 -0.43 -0.15 0.00 0.00 0.00 0.00 32.46 31.88 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 0.57 -0.72 6.15 3.38 -1.90 -3.22 115.31 119.58 1jh4 h LEU 28 Ca 0.00 -0.94 0.16 0.00 0.09 0.00 0.00 57.88 57.19 1jh4 h LEU 28 Cb 1.03 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 1jh4 h LEU 28 CO 0.00 1.47 0.06 0.15 0.09 0.00 0.00 178.44 180.22 1jh4 h PHE 29 N -0.23 0.06 -0.62 1.13 3.57 -1.81 0.97 116.94 120.02 1jh4 h PHE 29 Ca -0.17 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.39 1jh4 h PHE 29 Cb 1.77 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 40.56 1jh4 h PHE 29 CO 0.18 -0.17 0.40 -1.35 -2.23 0.00 0.00 178.31 175.14 1jh4 h PRO 30 N 0.16 0.79 -0.15 6.41 0.11 -1.87 1.10 132.00 138.55 1jh4 h PRO 30 Ca 0.39 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.41 1jh4 h PRO 30 Cb 0.68 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1jh4 h PRO 30 CO -0.58 0.52 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.59 1jh4 h LEU 31 N 0.81 0.32 -0.52 2.35 3.38 -0.78 -2.90 115.31 117.97 1jh4 h LEU 31 Ca 0.23 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 1jh4 h LEU 31 Cb -0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jh4 h LEU 31 CO -0.06 0.67 -0.07 -0.29 0.09 0.00 0.00 178.44 178.77 1jh4 h ILE 32 N -0.02 1.27 -0.93 1.22 -0.00 1.00 -2.33 117.51 117.71 1jh4 h ILE 32 Ca 0.03 -1.21 0.27 0.00 -0.00 0.00 0.00 64.86 63.95 1jh4 h ILE 32 Cb 0.55 0.98 -0.14 0.00 -0.00 0.00 0.00 36.82 38.21 1jh4 h ILE 32 CO 0.02 0.43 0.37 -0.61 -0.00 0.00 0.00 178.15 178.36 1jh4 h GLN 33 N 0.84 0.25 -0.79 2.19 4.15 0.13 2.03 115.11 123.91 1jh4 h GLN 33 Ca 0.14 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.62 1jh4 h GLN 33 Cb 0.63 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.21 1jh4 h GLN 33 CO 0.04 0.17 0.52 0.00 -1.93 0.00 0.00 178.83 177.62 1jh4 h ALA 34 N 1.81 1.70 0.00 3.38 0.00 -1.21 -3.26 119.26 121.67 1jh4 h ALA 34 Ca 0.63 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 55.10 1jh4 h ALA 34 Cb 1.33 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1jh4 h ALA 34 CO -0.64 0.16 -2.34 -1.33 0.00 0.00 0.00 179.25 175.10 1jh4 n MET 35 N -4.49 0.58 -3.51 0.00 2.81 0.30 -5.03 117.12 107.77 1jh4 n MET 35 Ca 0.12 0.29 -0.18 0.00 -1.81 0.00 0.00 57.70 56.12 1jh4 n MET 35 Cb 0.27 -1.51 0.07 0.00 -0.71 0.00 0.00 33.22 31.34 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 -4.28 -2.13 0.00 2.03 8.25 0.61 -4.97 115.22 114.73 1jh4 n HIS 36 Ca -0.50 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1jh4 n HIS 36 Cb 0.85 -4.90 0.00 0.00 1.12 0.00 0.00 29.99 27.06 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 -4.19 0.00 -0.07 -0.41 -0.04 -1.26 -4.73 135.00 124.30 1jh4 n PRO 37 Ca -0.28 0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.38 1jh4 n PRO 37 Cb 0.67 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 33.03 1jh4 n PRO 37 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jh4 n THR 38 N -1.27 1.29 -3.15 0.52 -1.04 -1.26 -5.02 114.28 104.35 1jh4 n THR 38 Ca 0.00 0.23 0.05 0.00 -2.04 0.00 0.00 64.05 62.29 1jh4 n THR 38 Cb 0.00 -2.29 -0.01 0.00 -1.82 0.00 0.00 70.33 66.20 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1jh4 s LEU 39 N -7.79 -0.67 0.15 -4.42 2.96 -1.26 -5.05 118.68 102.60 1jh4 s LEU 39 Ca -0.16 0.41 -0.27 0.00 -0.22 0.00 0.00 54.13 53.88 1jh4 s LEU 39 Cb 0.02 1.56 -0.02 0.00 0.50 0.00 0.00 46.19 48.25 1jh4 s LEU 39 CO 0.24 -0.13 1.58 0.00 -1.32 0.00 0.00 176.35 176.73 1jh4 h ALA 40 N 7.98 -0.47 -0.22 5.97 0.00 -1.91 1.22 119.26 131.83 1jh4 h ALA 40 Ca -0.15 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1jh4 h ALA 40 Cb 1.17 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1jh4 h ALA 40 CO -0.02 -0.88 -0.17 0.78 0.00 0.00 0.00 179.25 178.96 1jh4 h GLY 41 N -0.38 -0.04 1.32 0.00 0.00 -1.97 -2.02 103.07 99.97 1jh4 h GLY 41 Ca 0.12 0.21 -0.20 0.00 0.00 0.00 0.00 47.33 47.46 1jh4 h GLY 41 CO -0.50 -0.17 -0.69 0.50 0.00 0.00 0.00 176.54 175.68 1jh4 h LYS 42 N -0.17 0.69 -0.78 4.80 1.79 -1.87 -3.19 116.57 117.83 1jh4 h LYS 42 Ca 0.13 -0.51 0.11 0.00 -2.18 0.00 0.00 60.65 58.20 1jh4 h LYS 42 Cb 0.37 0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 31.03 1jh4 h LYS 42 CO -0.32 1.13 0.41 0.82 -1.08 0.00 0.00 179.45 180.41 1jh4 h ILE 43 N 0.49 0.82 -0.41 1.86 5.03 0.18 -1.80 117.51 123.68 1jh4 h ILE 43 Ca -0.02 -0.22 0.08 0.00 -0.12 0.00 0.00 64.86 64.57 1jh4 h ILE 43 Cb 1.29 0.11 -0.07 0.00 -3.03 0.00 0.00 36.82 35.11 1jh4 h ILE 43 CO 0.14 0.12 -0.05 0.74 -0.68 0.00 0.00 178.15 178.41 1jh4 h THR 44 N 0.65 0.63 -0.64 -0.27 2.02 -1.36 -0.98 112.91 112.97 1jh4 h THR 44 Ca 0.40 -0.02 0.13 0.00 0.77 0.00 0.00 66.41 67.70 1jh4 h THR 44 Cb 0.47 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.42 1jh4 h THR 44 CO -0.30 0.01 0.44 1.23 0.37 0.00 0.00 175.52 177.27 1jh4 h GLY 45 N 0.05 0.46 0.18 2.16 0.00 -1.39 -0.28 103.07 104.25 1jh4 h GLY 45 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 1jh4 h GLY 45 CO -0.38 0.05 -0.04 -0.33 0.00 0.00 0.00 176.54 175.84 1jh4 h MET 46 N 0.29 -0.10 -0.08 4.80 2.07 -1.13 -3.23 114.93 117.55 1jh4 h MET 46 Ca 0.31 0.01 0.02 0.00 -2.07 0.00 0.00 59.70 57.97 1jh4 h MET 46 Cb 0.80 0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.55 1jh4 h MET 46 CO -0.07 0.41 0.13 -0.07 1.07 0.00 0.00 176.91 178.37 1jh4 h LEU 47 N -0.93 0.00 -0.64 1.22 -0.00 -0.94 -2.89 115.31 111.13 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 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.21 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 -3.54 0.00 0.02 1.67 4.32 -0.15 -2.85 117.00 116.48 1jh4 n LEU 48 Ca -0.01 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.09 1jh4 n LEU 48 Cb 0.22 0.00 0.46 0.00 -1.62 0.00 0.00 43.42 42.47 1jh4 n LEU 48 CO 0.24 0.00 0.85 1.21 -1.22 0.00 0.00 177.39 178.47 1jh4 n GLU 49 N 0.12 0.05 -3.65 3.23 4.07 -1.09 -4.81 120.64 118.55 1jh4 n GLU 49 Ca 0.00 0.17 -0.23 0.00 -0.06 0.00 0.00 57.16 57.04 1jh4 n GLU 49 Cb 0.00 -1.57 -0.01 0.00 -0.06 0.00 0.00 31.44 29.80 1jh4 n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1jh4 s ILE 50 N -3.04 2.22 0.34 6.31 2.07 -1.13 -5.11 121.20 122.86 1jh4 s ILE 50 Ca 0.10 -1.38 -0.27 0.00 -1.41 0.00 0.00 60.65 57.69 1jh4 s ILE 50 Cb 0.13 -2.60 -0.09 0.00 0.13 0.00 0.00 42.46 40.03 1jh4 s ILE 50 CO 0.41 0.00 1.08 -1.81 -1.91 0.00 0.00 174.94 172.71 1jh4 s ASP 51 N -4.23 6.96 0.59 4.50 1.11 -1.26 -4.90 116.67 119.44 1jh4 s ASP 51 Ca 0.44 2.17 0.30 0.00 0.18 0.00 0.00 52.55 55.65 1jh4 s ASP 51 Cb -0.03 -2.61 1.35 0.00 1.07 0.00 0.00 42.92 42.71 1jh4 s ASP 51 CO 0.26 -0.35 1.71 -1.13 1.18 0.00 0.00 175.17 176.84 1jh4 h ASN 52 N 3.11 0.00 0.79 0.27 -0.73 -1.99 0.31 115.58 117.34 1jh4 h ASN 52 Ca -0.48 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 57.57 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 0.64 0.00 -0.60 0.28 -0.37 0.00 0.00 177.43 177.39 1jh4 h SER 53 N 0.00 0.00 -0.01 1.15 0.02 -2.01 -3.08 113.55 109.62 1jh4 h SER 53 Ca 0.37 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.13 1jh4 h SER 53 Cb 1.90 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.46 1jh4 h SER 53 CO -0.00 0.60 -0.71 -0.33 -1.14 0.00 0.00 176.83 175.24 1jh4 h GLU 54 N 0.00 0.51 0.00 3.45 4.39 -0.74 -3.10 114.58 119.09 1jh4 h GLU 54 Ca -0.01 -0.53 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 1jh4 h GLU 54 Cb 1.15 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1jh4 h GLU 54 CO 0.08 1.16 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.89 1jh4 h LEU 55 N 0.07 0.00 -0.36 1.33 4.07 -1.59 -1.79 115.31 117.03 1jh4 h LEU 55 Ca -0.09 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.79 1jh4 h LEU 55 Cb 1.40 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.13 1jh4 h LEU 55 CO 0.14 0.13 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.44 1jh4 h LEU 56 N 0.00 0.74 -0.47 1.67 3.38 -1.54 -1.74 115.31 117.35 1jh4 h LEU 56 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1jh4 h LEU 56 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1jh4 h LEU 56 CO 0.02 0.95 0.30 0.45 0.09 0.00 0.00 178.44 180.25 1jh4 h HIS 57 N 0.52 0.59 -0.58 1.13 3.86 -1.27 -2.62 115.15 116.78 1jh4 h HIS 57 Ca 0.09 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 1jh4 h HIS 57 Cb 0.64 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1jh4 h HIS 57 CO 0.05 0.38 0.04 0.00 0.86 0.00 0.00 177.93 179.27 1jh4 h MET 58 N 0.63 0.99 -0.01 2.45 -0.00 -1.36 -2.20 114.93 115.43 1jh4 h MET 58 Ca 0.17 -0.29 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 1jh4 h MET 58 Cb -0.06 -0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 31.44 1jh4 h MET 58 CO -0.04 0.97 0.01 1.25 -0.00 0.00 0.00 176.91 179.10 1jh4 h LEU 59 N 0.88 0.00 -1.91 -0.10 6.46 -1.03 0.14 115.31 119.76 1jh4 h LEU 59 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1jh4 h LEU 59 Cb 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1jh4 h LEU 59 CO 0.02 0.00 0.00 -0.62 -0.62 0.00 0.00 178.44 177.22 1jh4 n GLU 60 N -3.86 2.30 -3.51 1.25 1.02 -0.98 -4.80 120.64 112.05 1jh4 n GLU 60 Ca -0.03 -1.90 -0.22 0.00 -0.02 0.00 0.00 57.16 54.99 1jh4 n GLU 60 Cb 0.09 -1.47 -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 -1.12 1.18 0.00 0.00 177.13 177.19 1jh4 s SER 61 N -1.91 2.02 0.45 1.62 0.01 0.49 -5.02 113.70 111.35 1jh4 s SER 61 Ca 0.31 -0.58 0.22 0.00 1.31 0.00 0.00 55.95 57.21 1jh4 s SER 61 Cb 0.21 0.13 1.20 0.00 0.21 0.00 0.00 66.02 67.77 1jh4 s SER 61 CO 0.31 -0.36 1.84 -0.65 0.41 0.00 0.00 173.24 174.78 1jh4 h PRO 62 N 8.35 0.28 0.16 12.44 0.11 -1.87 0.12 132.00 151.59 1jh4 h PRO 62 Ca -0.16 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.94 1jh4 h PRO 62 Cb 1.12 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1jh4 h PRO 62 CO 0.32 0.19 -0.45 1.05 -0.21 0.00 0.00 178.00 178.90 1jh4 h GLU 63 N 0.29 -0.68 0.00 1.05 4.11 -1.95 0.26 114.58 117.66 1jh4 h GLU 63 Ca 0.50 0.05 -0.15 0.00 0.07 0.00 0.00 59.36 59.82 1jh4 h GLU 63 Cb 1.44 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 1jh4 h GLU 63 CO -0.16 -0.45 -0.73 1.03 0.07 0.00 0.00 179.01 178.77 1jh4 h SER 64 N -0.71 0.00 0.35 3.06 0.87 -1.73 -3.05 113.55 112.33 1jh4 h SER 64 Ca 0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1jh4 h SER 64 Cb 0.71 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1jh4 h SER 64 CO -0.23 0.73 -0.26 0.25 -0.53 0.00 0.00 176.83 176.79 1jh4 h LEU 65 N 0.00 -0.68 -1.61 2.23 7.12 -0.37 -2.41 115.31 119.59 1jh4 h LEU 65 Ca -0.01 0.05 -0.03 0.00 0.13 0.00 0.00 57.88 58.02 1jh4 h LEU 65 Cb 1.53 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.86 1jh4 h LEU 65 CO 0.09 -0.37 -0.10 0.03 -0.13 0.00 0.00 178.44 177.97 1jh4 h ARG 66 N -0.58 0.13 -0.49 1.25 3.08 -1.09 -2.19 114.38 114.49 1jh4 h ARG 66 Ca -0.05 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.08 1jh4 h ARG 66 Cb 0.48 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 1jh4 h ARG 66 CO 0.02 0.23 0.00 1.03 -1.07 0.00 0.00 179.97 180.18 1jh4 h SER 67 N 0.12 -0.20 0.00 7.04 0.87 -1.37 0.76 113.55 120.77 1jh4 h SER 67 Ca 0.03 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1jh4 h SER 67 Cb 0.25 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1jh4 h SER 67 CO 0.01 -0.07 -0.10 0.11 -0.53 0.00 0.00 176.83 176.25 1jh4 h LYS 68 N 0.12 0.00 -0.03 2.24 1.79 -1.21 -3.18 116.57 116.29 1jh4 h LYS 68 Ca 0.25 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.74 1jh4 h LYS 68 Cb 0.37 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 1jh4 h LYS 68 CO -0.41 0.93 -0.11 0.28 -1.08 0.00 0.00 179.45 179.06 1jh4 h VAL 69 N -1.00 0.71 -0.27 0.50 2.07 -1.33 -1.38 116.25 115.55 1jh4 h VAL 69 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1jh4 h VAL 69 Cb 0.95 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.36 1jh4 h VAL 69 CO -0.02 0.00 -0.41 -0.78 0.02 0.00 0.00 177.57 176.38 1jh4 h ASP 70 N -0.18 -1.33 -0.70 0.57 1.82 0.39 0.84 116.42 117.84 1jh4 h ASP 70 Ca 0.05 0.19 0.15 0.00 -0.39 0.00 0.00 57.03 57.04 1jh4 h ASP 70 Cb 0.24 0.56 -0.12 0.00 0.68 0.00 0.00 39.33 40.70 1jh4 h ASP 70 CO -0.13 -0.39 0.06 -0.33 -1.61 0.00 0.00 179.24 176.84 1jh4 h GLU 71 N -0.40 0.15 -0.72 0.28 4.39 -1.47 0.19 114.58 117.00 1jh4 h GLU 71 Ca 0.11 -0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.94 1jh4 h GLU 71 Cb 0.60 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 29.08 1jh4 h GLU 71 CO -0.48 0.10 -0.23 0.00 -1.16 0.00 0.00 179.01 177.24 1jh4 h ALA 72 N 1.63 0.36 -0.96 3.43 0.00 0.29 0.24 119.26 124.25 1jh4 h ALA 72 Ca 0.38 0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.67 1jh4 h ALA 72 Cb 0.65 0.63 -0.08 0.00 0.00 0.00 0.00 17.79 18.99 1jh4 h ALA 72 CO -0.57 -0.48 0.59 -0.39 0.00 0.00 0.00 179.25 178.40 1jh4 h VAL 73 N -0.04 0.90 0.25 0.00 -1.51 -0.42 0.24 116.25 115.66 1jh4 h VAL 73 Ca 0.33 -0.32 -0.01 0.00 -1.23 0.00 0.00 66.70 65.47 1jh4 h VAL 73 Cb 0.55 -0.10 0.00 0.00 -2.13 0.00 0.00 31.29 29.61 1jh4 h VAL 73 CO -0.76 0.17 -0.12 0.00 -1.23 0.00 0.00 177.57 175.63 1jh4 h ALA 74 N 1.52 -0.33 0.30 5.19 0.00 -0.55 -2.82 119.26 122.57 1jh4 h ALA 74 Ca 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1jh4 h ALA 74 Cb 0.48 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1jh4 h ALA 74 CO -0.27 -0.33 -0.23 -0.24 0.00 0.00 0.00 179.25 178.17 1jh4 h VAL 75 N -1.03 0.00 -0.71 0.00 3.04 -0.57 -2.34 116.25 114.64 1jh4 h VAL 75 Ca -0.03 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 65.80 1jh4 h VAL 75 Cb 0.39 0.00 -0.10 0.00 -2.01 0.00 0.00 31.29 29.57 1jh4 h VAL 75 CO 0.06 0.00 0.21 -0.07 -1.01 0.00 0.00 177.57 176.75 1jh4 h LEU 76 N -0.51 0.10 -1.45 3.16 4.07 -0.72 1.02 115.31 120.98 1jh4 h LEU 76 Ca -0.04 0.13 0.13 0.00 0.08 0.00 0.00 57.88 58.17 1jh4 h LEU 76 Cb 0.42 0.15 -0.06 0.00 1.08 0.00 0.00 40.66 42.26 1jh4 h LEU 76 CO 0.01 0.02 0.52 1.56 -1.08 0.00 0.00 178.44 179.47 1jh4 h GLN 77 N 0.32 0.56 0.00 1.13 1.08 -1.43 1.32 115.11 118.09 1jh4 h GLN 77 Ca 0.39 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1jh4 h GLN 77 Cb 0.63 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1jh4 h GLN 77 CO -0.45 0.37 -0.04 0.00 -0.95 0.00 0.00 178.83 177.76 1jh4 h ALA 78 N 1.63 0.00 0.55 3.87 0.00 0.40 -3.39 119.26 122.32 1jh4 h ALA 78 Ca 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1jh4 h ALA 78 Cb 0.68 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jh4 h ALA 78 CO -0.14 0.04 -0.27 0.45 0.00 0.00 0.00 179.25 179.33 1jh4 h HIS 79 N -0.53 -0.69 -0.48 0.00 3.86 0.88 -3.35 115.15 114.85 1jh4 h HIS 79 Ca 0.00 -0.02 -0.66 0.00 -1.16 0.00 0.00 60.37 58.53 1jh4 h HIS 79 Cb 0.04 0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 1jh4 h HIS 79 CO -0.02 -0.38 2.45 1.04 0.86 0.00 0.00 177.93 181.88 1jh4 n GLN 80 N -5.28 2.86 -2.02 2.45 1.13 0.45 -4.89 117.38 112.08 1jh4 n GLN 80 Ca -0.10 -2.90 -0.00 0.00 -1.94 0.00 0.00 57.00 52.06 1jh4 n GLN 80 Cb 0.32 -3.41 -0.00 0.00 0.11 0.00 0.00 30.24 27.25 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jh4 n ALA 81 N 8.02 0.00 -1.88 -1.58 0.00 -1.23 -4.24 120.51 119.60 1jh4 n ALA 81 Ca 0.50 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 1jh4 n ALA 81 Cb 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.02 4.25 -0.74 0.00 3.01 -1.26 -4.91 119.74 118.07 1jh4 s LYS 82 Ca 0.00 2.33 -0.26 0.00 -1.01 0.00 0.00 55.97 57.03 1jh4 s LYS 82 Cb 0.00 -3.11 0.00 0.00 -1.01 0.00 0.00 37.83 33.71 1jh4 s LYS 82 CO 0.00 -0.47 1.62 -1.21 0.51 0.00 0.00 175.35 175.80 1jh4 s GLU 83 N -0.09 2.92 0.00 1.68 2.02 -1.26 -4.81 118.70 119.15 1jh4 s GLU 83 Ca 0.62 0.01 0.09 0.00 0.02 0.00 0.00 54.97 55.70 1jh4 s GLU 83 Cb -0.43 -4.50 0.53 0.00 0.10 0.00 0.00 34.13 29.83 1jh4 s GLU 83 CO 0.41 -2.55 0.99 0.00 0.02 0.00 0.00 175.26 174.13 1jh4 n ALA 84 N 11.29 2.08 -0.77 5.21 0.00 -1.26 -4.21 120.51 132.86 1jh4 n ALA 84 Ca 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 1jh4 n ALA 84 Cb 0.50 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.76 5.09 -2.57 0.00 0.00 -1.26 -4.85 120.51 116.16 1jh4 n ALA 85 Ca 0.07 -1.47 -0.13 0.00 0.00 0.00 0.00 53.44 51.90 1jh4 n ALA 85 Cb 0.03 -2.37 0.06 0.00 0.00 0.00 0.00 19.45 17.17 1jh4 n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jh4 n GLN 86 N 2.73 0.32 -1.80 0.00 6.02 -1.26 -5.09 117.38 118.31 1jh4 n GLN 86 Ca 0.34 -1.59 -0.31 0.00 -0.01 0.00 0.00 57.00 55.43 1jh4 n GLN 86 Cb 0.65 -0.33 0.02 0.00 1.02 0.00 0.00 30.24 31.60 1jh4 n GLN 86 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1jh4 s LYS 87 N -3.83 3.32 0.46 -1.09 2.47 -1.26 -5.03 119.74 114.77 1jh4 s LYS 87 Ca 0.37 0.89 -0.21 0.00 -1.56 0.00 0.00 55.97 55.46 1jh4 s LYS 87 Cb -0.02 -2.04 -0.09 0.00 -1.46 0.00 0.00 37.83 34.21 1jh4 s LYS 87 CO 0.24 -0.79 1.01 0.00 0.16 0.00 0.00 175.35 175.97 1jh4 s ALA 88 N -3.01 2.95 -0.70 3.13 0.00 -1.26 -4.94 121.76 117.93 1jh4 s ALA 88 Ca 0.57 0.55 0.24 0.00 0.00 0.00 0.00 51.96 53.32 1jh4 s ALA 88 Cb -0.13 -3.22 0.91 0.00 0.00 0.00 0.00 23.12 20.68 1jh4 s ALA 88 CO 0.51 -0.15 1.73 0.28 0.00 0.00 0.00 175.76 178.13 1jh4 n VAL 89 N -0.75 0.67 -1.93 0.00 0.31 -1.26 -3.62 118.33 111.75 1jh4 n VAL 89 Ca 0.08 0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 64.06 1jh4 n VAL 89 Cb 0.53 -0.86 0.02 0.00 -0.91 0.00 0.00 33.84 32.61 1jh4 n VAL 89 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1jh4 n ASN 90 N -2.06 7.32 -4.59 4.52 4.13 -1.26 -4.95 115.26 118.37 1jh4 n ASN 90 Ca 0.04 -3.67 -0.38 0.00 1.68 0.00 0.00 54.58 52.25 1jh4 n ASN 90 Cb 0.30 -1.13 -0.10 0.00 -1.54 0.00 0.00 39.78 37.31 1jh4 n ASN 90 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1jh4 s SER 91 N -0.77 6.09 0.04 6.41 0.01 -1.24 -5.04 113.70 119.19 1jh4 s SER 91 Ca 0.52 0.05 -0.30 0.00 1.31 0.00 0.00 55.95 57.53 1jh4 s SER 91 Cb 0.39 -2.15 -0.08 0.00 0.21 0.00 0.00 66.02 64.39 1jh4 s SER 91 CO -0.33 -0.10 1.75 0.00 0.41 0.00 0.00 173.24 174.96 1jh4 s ALA 92 N 1.85 3.65 -0.18 1.44 0.00 -1.26 -4.88 121.76 122.39 1jh4 s ALA 92 Ca 0.09 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.21 1jh4 s ALA 92 Cb -0.16 -3.75 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 1jh4 s ALA 92 CO 0.11 -1.30 -0.19 0.25 0.00 0.00 0.00 175.76 174.62 1jh4 n THR 93 N 5.12 0.98 -2.90 0.00 -2.24 -1.26 -4.95 114.28 109.03 1jh4 n THR 93 Ca 0.17 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1jh4 n THR 93 Cb 0.41 -1.44 -0.04 0.00 -2.10 0.00 0.00 70.33 67.16 1jh4 n THR 93 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jh4 s GLY 94 N -5.48 1.81 -0.25 3.38 0.00 -1.26 -5.03 107.32 100.50 1jh4 s GLY 94 Ca -0.24 -0.13 -0.23 0.00 0.00 0.00 0.00 44.72 44.12 1jh4 s GLY 94 CO 0.35 1.77 0.78 -1.34 0.00 0.00 0.00 173.10 174.66 1jh4 s VAL 95 N 2.73 4.87 -1.09 1.40 -7.23 -1.26 -4.97 120.40 114.86 1jh4 s VAL 95 Ca 0.35 1.46 -0.23 0.00 -1.81 0.00 0.00 61.98 61.75 1jh4 s VAL 95 Cb -0.15 -4.07 -0.11 0.00 0.56 0.00 0.00 36.38 32.61 1jh4 s VAL 95 CO 0.08 -0.05 1.93 -0.81 -0.31 0.00 0.00 175.10 175.94 1jh4 n PRO 96 N 5.93 1.55 -0.57 4.82 -0.04 -1.26 -4.89 135.00 140.54 1jh4 n PRO 96 Ca 0.04 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1jh4 n PRO 96 Cb 0.48 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.38 1jh4 n PRO 96 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jh4 n THR 97 N 7.44 0.00 0.49 0.52 -1.04 -1.26 -5.33 114.28 115.10 1jh4 n THR 97 Ca 0.46 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.53 1jh4 n THR 97 Cb 0.45 -0.96 0.05 0.00 -1.82 0.00 0.00 70.33 68.05 1jh4 n THR 97 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98