#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jh4 n PRO 2 N 0.00 0.05 -2.57 1.61 -0.04 -1.26 -4.55 135.00 128.24 1jh4 n PRO 2 Ca 0.00 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.35 1jh4 n PRO 2 Cb 0.00 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 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 -3.39 3.32 -0.72 1.53 1.98 -1.26 -4.96 118.68 115.19 1jh4 s LEU 3 Ca 0.06 -0.71 -0.17 0.00 -2.89 0.00 0.00 54.13 50.42 1jh4 s LEU 3 Cb 0.09 -2.55 0.14 0.00 0.66 0.00 0.00 46.19 44.53 1jh4 s LEU 3 CO 0.30 -1.74 0.78 -0.83 -1.89 0.00 0.00 176.35 172.97 1jh4 s GLY 4 N 4.00 2.08 -0.06 7.98 0.00 -1.26 -5.04 107.32 115.02 1jh4 s GLY 4 Ca 0.37 -2.67 -0.17 0.00 0.00 0.00 0.00 44.72 42.25 1jh4 s GLY 4 CO 0.09 1.53 0.46 -1.35 0.00 0.00 0.00 173.10 173.83 1jh4 s SER 5 N 3.22 6.76 0.87 1.64 1.04 -1.26 -5.06 113.70 120.91 1jh4 s SER 5 Ca 0.16 0.90 -0.14 0.00 0.48 0.00 0.00 55.95 57.35 1jh4 s SER 5 Cb -0.17 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1jh4 s SER 5 CO -0.01 0.14 0.40 -2.65 0.98 0.00 0.00 173.24 172.10 1jh4 n PRO 6 N 2.85 -0.07 -3.71 4.02 -0.02 -1.26 -4.97 135.00 131.84 1jh4 n PRO 6 Ca -0.10 0.03 -0.36 0.00 -2.02 0.00 0.00 63.50 61.05 1jh4 n PRO 6 Cb 0.52 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.10 1jh4 n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jh4 s LEU 7 N -0.38 4.17 -0.06 2.45 2.01 -1.26 -4.99 118.68 120.62 1jh4 s LEU 7 Ca 0.59 0.19 -0.09 0.00 0.01 0.00 0.00 54.13 54.83 1jh4 s LEU 7 Cb -0.26 -2.09 -0.29 0.00 0.01 0.00 0.00 46.19 43.55 1jh4 s LEU 7 CO 0.65 0.14 0.61 0.71 1.01 0.00 0.00 176.35 179.47 1jh4 h THR 8 N 4.79 0.87 0.12 5.49 1.35 -1.98 -2.97 112.91 120.59 1jh4 h THR 8 Ca -0.40 -2.50 -0.01 0.00 -0.55 0.00 0.00 66.41 62.96 1jh4 h THR 8 Cb 1.16 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 1jh4 h THR 8 CO 0.72 0.86 -0.07 0.00 -0.25 0.00 0.00 175.52 176.79 1jh4 h ALA 9 N 0.15 -1.00 -0.15 6.62 0.00 -2.01 -2.69 119.26 120.17 1jh4 h ALA 9 Ca -0.36 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1jh4 h ALA 9 Cb 2.08 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1jh4 h ALA 9 CO 0.16 -0.99 0.18 0.66 0.00 0.00 0.00 179.25 179.26 1jh4 h SER 10 N -0.17 0.00 -0.79 0.00 4.64 -1.98 -1.08 113.55 114.16 1jh4 h SER 10 Ca -0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1jh4 h SER 10 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 1jh4 h SER 10 CO 0.02 0.00 0.31 0.00 -0.87 0.00 0.00 176.83 176.29 1jh4 h MET 11 N 0.00 1.19 0.47 4.77 -0.00 -1.34 -0.74 114.93 119.29 1jh4 h MET 11 Ca 0.07 -0.22 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 1jh4 h MET 11 Cb 0.43 -0.19 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 1jh4 h MET 11 CO -0.00 0.97 -0.23 1.25 -0.00 0.00 0.00 176.91 178.90 1jh4 h LEU 12 N 1.16 -0.54 0.00 -0.10 7.12 -0.87 -1.67 115.31 120.42 1jh4 h LEU 12 Ca 0.26 -0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.26 1jh4 h LEU 12 Cb 0.23 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.49 1jh4 h LEU 12 CO -0.02 -0.33 0.00 0.00 -0.13 0.00 0.00 178.44 177.96 1jh4 n ALA 13 N -2.40 2.09 0.11 1.25 0.00 -1.12 -2.13 120.51 118.30 1jh4 n ALA 13 Ca -0.11 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1jh4 n ALA 13 Cb 0.28 -1.12 0.22 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.71 3.45 -4.14 0.00 7.64 -0.30 -4.95 113.62 114.62 1jh4 n SER 14 Ca 0.06 -1.97 -0.18 0.00 1.01 0.00 0.00 58.87 57.79 1jh4 n SER 14 Cb 0.03 -0.29 -0.12 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.29 1.06 0.80 -0.43 0.00 -0.90 -5.04 121.76 115.95 1jh4 s ALA 15 Ca 0.38 -0.88 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 1jh4 s ALA 15 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1jh4 s ALA 15 CO 0.30 0.15 -0.52 -2.30 0.00 0.00 0.00 175.76 173.39 1jh4 n PRO 16 N 1.57 -0.45 0.00 0.00 -0.01 -1.26 -4.64 135.00 130.21 1jh4 n PRO 16 Ca -0.20 -0.13 0.00 0.00 -0.01 0.00 0.00 63.50 63.16 1jh4 n PRO 16 Cb 0.55 -1.12 0.00 0.00 -0.01 0.00 0.00 33.50 32.92 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 1.35 0.00 0.20 0.52 -0.02 -1.26 -2.04 135.00 133.75 1jh4 n PRO 17 Ca 0.00 0.38 0.13 0.00 -2.02 0.00 0.00 63.50 62.00 1jh4 n PRO 17 Cb 0.37 -1.10 0.71 0.00 -0.02 0.00 0.00 33.50 33.46 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 -1.56 -0.52 -0.00 -2.02 -2.41 115.11 108.60 1jh4 h GLN 18 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.47 1jh4 h GLN 18 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 27.40 1jh4 h GLN 18 CO 0.00 0.00 0.23 0.39 -0.00 0.00 0.00 178.83 179.45 1jh4 n GLU 19 N -2.43 1.44 0.00 0.06 1.02 -0.87 -4.47 120.64 115.40 1jh4 n GLU 19 Ca -0.02 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1jh4 n GLU 19 Cb 0.05 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 0.65 0.00 0.00 3.49 10.64 -0.91 -4.08 117.38 127.17 1jh4 n GLN 20 Ca 0.17 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.34 1jh4 n GLN 20 Cb 0.61 -0.42 0.00 0.00 -0.86 0.00 0.00 30.24 29.57 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 -0.19 0.94 0.39 2.61 5.02 -1.26 -4.11 118.16 121.56 1jh4 n LYS 21 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 1jh4 n LYS 21 Cb 0.00 -1.21 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 1jh4 n LYS 21 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1jh4 h GLN 22 N 0.03 -0.98 0.00 1.97 -0.00 -1.76 -3.16 115.11 111.21 1jh4 h GLN 22 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 1jh4 h GLN 22 Cb 0.21 0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.91 1jh4 h GLN 22 CO 0.00 -0.65 0.00 -1.33 0.00 0.00 0.00 178.83 176.85 1jh4 n MET 23 N -5.16 0.00 -0.18 1.69 2.81 -1.26 -3.64 117.12 111.38 1jh4 n MET 23 Ca -0.13 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.73 1jh4 n MET 23 Cb 0.40 -0.28 -0.02 0.00 -0.71 0.00 0.00 33.22 32.62 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 0.00 1.08 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.95 1jh4 n LEU 24 Ca 0.00 -1.21 0.00 0.00 -0.00 0.00 0.00 56.01 54.80 1jh4 n LEU 24 Cb 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 42.98 1jh4 n LEU 24 CO 0.00 -0.44 0.00 0.61 -0.00 0.00 0.00 177.39 177.56 1jh4 n GLY 25 N 3.42 0.61 0.00 1.47 0.00 -1.19 -4.23 105.19 105.27 1jh4 n GLY 25 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 2.80 0.00 -0.13 1.61 0.00 -1.26 -4.37 120.64 119.30 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 -0.48 0.00 0.00 0.00 0.00 0.00 31.44 30.96 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 -0.34 0.00 0.00 3.44 3.00 -1.26 -4.90 116.66 116.60 1jh4 n ARG 27 Ca 0.00 -0.50 -0.17 0.00 -0.00 0.00 0.00 57.85 57.18 1jh4 n ARG 27 Cb 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 32.46 31.94 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 0.41 -0.70 6.15 3.38 -1.89 -3.21 115.31 119.45 1jh4 h LEU 28 Ca 0.00 -0.81 0.15 0.00 0.09 0.00 0.00 57.88 57.31 1jh4 h LEU 28 Cb 1.08 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 41.58 1jh4 h LEU 28 CO 0.00 1.17 -0.05 0.15 0.09 0.00 0.00 178.44 179.80 1jh4 h PHE 29 N -0.31 -0.14 -0.48 1.13 3.57 -1.81 0.80 116.94 119.70 1jh4 h PHE 29 Ca -0.07 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1jh4 h PHE 29 Cb 1.27 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 40.16 1jh4 h PHE 29 CO 0.17 -0.24 0.30 -1.35 -2.23 0.00 0.00 178.31 174.96 1jh4 h PRO 30 N 0.07 0.58 -0.09 6.41 0.11 -1.87 1.22 132.00 138.43 1jh4 h PRO 30 Ca 0.37 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.40 1jh4 h PRO 30 Cb 0.61 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jh4 h PRO 30 CO -0.65 0.38 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.34 1jh4 h LEU 31 N 0.60 0.26 -0.57 2.35 3.38 -1.05 -3.00 115.31 117.27 1jh4 h LEU 31 Ca 0.19 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 1jh4 h LEU 31 Cb -0.02 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1jh4 h LEU 31 CO -0.07 0.72 -0.09 -0.29 0.09 0.00 0.00 178.44 178.80 1jh4 h ILE 32 N -0.20 1.27 -0.94 1.22 -0.00 0.63 -2.22 117.51 117.28 1jh4 h ILE 32 Ca 0.01 -1.25 0.27 0.00 -0.00 0.00 0.00 64.86 63.89 1jh4 h ILE 32 Cb 0.66 0.92 -0.14 0.00 -0.00 0.00 0.00 36.82 38.25 1jh4 h ILE 32 CO 0.03 0.44 0.39 1.56 -0.00 0.00 0.00 178.15 180.57 1jh4 h GLN 33 N 0.94 0.26 -0.68 2.19 4.20 0.15 2.29 115.11 124.46 1jh4 h GLN 33 Ca 0.15 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.92 1jh4 h GLN 33 Cb 0.66 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 1jh4 h GLN 33 CO 0.05 0.17 0.45 0.00 -0.67 0.00 0.00 178.83 178.83 1jh4 h ALA 34 N 1.81 1.79 0.00 3.87 0.00 -1.25 -3.26 119.26 122.22 1jh4 h ALA 34 Ca 0.63 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 55.21 1jh4 h ALA 34 Cb 1.35 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1jh4 h ALA 34 CO -0.63 0.08 -1.98 -1.33 0.00 0.00 0.00 179.25 175.39 1jh4 n MET 35 N -4.48 0.57 -3.54 0.00 2.81 0.35 -5.03 117.12 107.80 1jh4 n MET 35 Ca 0.10 0.28 -0.21 0.00 -1.81 0.00 0.00 57.70 56.07 1jh4 n MET 35 Cb 0.27 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.36 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 -2.54 0.00 2.03 8.25 0.68 -4.96 115.22 114.36 1jh4 n HIS 36 Ca -0.41 0.98 0.00 0.00 -0.26 0.00 0.00 57.72 58.03 1jh4 n HIS 36 Cb 0.76 -5.02 0.00 0.00 1.12 0.00 0.00 29.99 26.85 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 -4.59 0.00 -0.05 -0.41 -0.04 -1.26 -4.65 135.00 123.99 1jh4 n PRO 37 Ca -0.13 0.44 -0.05 0.00 -0.04 0.00 0.00 63.50 63.72 1jh4 n PRO 37 Cb 0.61 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.81 1.00 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.30 1jh4 n THR 38 Ca 0.00 0.28 0.05 0.00 -2.27 0.00 0.00 64.05 62.11 1jh4 n THR 38 Cb 0.00 -2.10 -0.01 0.00 -2.10 0.00 0.00 70.33 66.12 1jh4 n THR 38 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1jh4 s LEU 39 N -7.02 -0.73 0.17 3.22 2.34 -1.26 -5.06 118.68 110.33 1jh4 s LEU 39 Ca -0.15 0.33 -0.16 0.00 0.06 0.00 0.00 54.13 54.21 1jh4 s LEU 39 Cb 0.02 1.56 0.12 0.00 -0.56 0.00 0.00 46.19 47.33 1jh4 s LEU 39 CO 0.22 -0.14 1.67 0.00 -1.06 0.00 0.00 176.35 177.04 1jh4 h ALA 40 N 7.84 0.31 -0.02 1.48 0.00 -1.90 0.43 119.26 127.41 1jh4 h ALA 40 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jh4 h ALA 40 Cb 1.17 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1jh4 h ALA 40 CO -0.01 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.21 1jh4 n GLY 41 N -1.32 -2.74 0.30 0.00 0.00 -1.26 -1.81 105.19 98.36 1jh4 n GLY 41 Ca 0.03 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 1jh4 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jh4 h LYS 42 N 0.00 0.73 -1.00 1.61 1.79 -1.99 -2.82 116.57 114.90 1jh4 h LYS 42 Ca 0.00 -0.14 0.09 0.00 -2.18 0.00 0.00 60.65 58.42 1jh4 h LYS 42 Cb 0.00 -0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.46 1jh4 h LYS 42 CO 0.00 0.66 0.64 0.97 -1.08 0.00 0.00 179.45 180.63 1jh4 h ILE 43 N 0.71 1.01 -0.60 1.86 2.10 -0.05 -2.14 117.51 120.40 1jh4 h ILE 43 Ca 0.16 -0.37 0.12 0.00 1.08 0.00 0.00 64.86 65.85 1jh4 h ILE 43 Cb 0.26 -0.17 -0.11 0.00 -1.09 0.00 0.00 36.82 35.71 1jh4 h ILE 43 CO -0.00 0.20 -0.06 0.74 -1.08 0.00 0.00 178.15 177.95 1jh4 h THR 44 N 1.09 0.46 -0.58 2.19 2.02 -1.08 0.15 112.91 117.15 1jh4 h THR 44 Ca 0.46 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.64 1jh4 h THR 44 Cb 0.31 0.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1jh4 h THR 44 CO -0.22 0.01 0.39 1.23 0.37 0.00 0.00 175.52 177.30 1jh4 h GLY 45 N 0.07 0.79 0.42 2.16 0.00 -1.50 0.38 103.07 105.39 1jh4 h GLY 45 Ca 0.31 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1jh4 h GLY 45 CO -0.56 0.26 -0.20 -0.33 0.00 0.00 0.00 176.54 175.71 1jh4 h MET 46 N 0.73 -0.55 0.00 4.80 2.07 -0.70 -2.94 114.93 118.33 1jh4 h MET 46 Ca 0.23 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.89 1jh4 h MET 46 Cb 0.01 0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1jh4 h MET 46 CO -0.06 -0.37 0.06 -0.07 1.07 0.00 0.00 176.91 177.55 1jh4 h LEU 47 N -0.76 0.00 -1.40 1.22 -0.00 -1.14 -3.02 115.31 110.21 1jh4 h LEU 47 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1jh4 h LEU 47 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1jh4 h LEU 47 CO 0.10 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.43 1jh4 n LEU 48 N -2.75 0.18 0.01 1.67 7.94 0.11 -3.37 117.00 120.80 1jh4 n LEU 48 Ca -0.02 -0.09 0.10 0.00 -1.11 0.00 0.00 56.01 54.89 1jh4 n LEU 48 Cb 0.11 -0.05 0.46 0.00 0.53 0.00 0.00 43.42 44.47 1jh4 n LEU 48 CO 0.15 0.04 0.84 1.21 -1.11 0.00 0.00 177.39 178.52 1jh4 n GLU 49 N 0.65 0.01 -3.77 1.96 0.00 -1.14 -4.80 120.64 113.55 1jh4 n GLU 49 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 57.16 57.07 1jh4 n GLU 49 Cb 0.04 -1.52 -0.04 0.00 0.00 0.00 0.00 31.44 29.92 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 -3.01 2.38 0.45 6.31 1.10 -1.22 -5.12 121.20 122.10 1jh4 s ILE 50 Ca 0.10 -1.46 -0.22 0.00 -0.51 0.00 0.00 60.65 58.56 1jh4 s ILE 50 Cb 0.14 -2.85 -0.08 0.00 0.15 0.00 0.00 42.46 39.82 1jh4 s ILE 50 CO 0.40 0.00 1.06 -0.62 -2.11 0.00 0.00 174.94 173.67 1jh4 s ASP 51 N -4.10 6.45 0.60 4.50 2.15 -1.26 -4.90 116.67 120.10 1jh4 s ASP 51 Ca 0.44 2.03 0.28 0.00 0.43 0.00 0.00 52.55 55.73 1jh4 s ASP 51 Cb -0.01 -2.58 1.29 0.00 -0.30 0.00 0.00 42.92 41.33 1jh4 s ASP 51 CO 0.25 -0.71 1.69 -1.13 -0.17 0.00 0.00 175.17 175.10 1jh4 h ASN 52 N 1.97 0.00 0.40 -0.34 -0.73 -2.00 0.24 115.58 115.12 1jh4 h ASN 52 Ca -0.49 0.00 -0.09 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 0.60 0.00 -0.41 0.28 -0.37 0.00 0.00 177.43 177.53 1jh4 h SER 53 N 0.00 0.01 0.09 1.15 0.02 -2.01 -3.07 113.55 109.74 1jh4 h SER 53 Ca 0.30 -0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.00 1jh4 h SER 53 Cb 1.77 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.32 1jh4 h SER 53 CO -0.00 0.42 -0.99 -0.33 -1.14 0.00 0.00 176.83 174.79 1jh4 h GLU 54 N 0.01 0.63 -0.11 3.45 4.39 -0.88 -3.17 114.58 118.90 1jh4 h GLU 54 Ca -0.00 -0.66 -0.01 0.00 0.34 0.00 0.00 59.36 59.03 1jh4 h GLU 54 Cb 0.73 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1jh4 h GLU 54 CO 0.05 1.26 0.01 -0.07 -1.16 0.00 0.00 179.01 179.10 1jh4 h LEU 55 N 0.36 0.13 -0.22 1.33 4.07 -1.56 -1.87 115.31 117.56 1jh4 h LEU 55 Ca -0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 1jh4 h LEU 55 Cb 1.64 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.34 1jh4 h LEU 55 CO 0.19 0.16 -0.02 -0.07 -1.08 0.00 0.00 178.44 177.62 1jh4 h LEU 56 N 0.15 0.40 -0.49 1.67 4.07 -1.52 -2.53 115.31 117.06 1jh4 h LEU 56 Ca 0.04 -0.33 0.02 0.00 0.08 0.00 0.00 57.88 57.69 1jh4 h LEU 56 Cb 0.10 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 41.70 1jh4 h LEU 56 CO 0.00 0.63 0.29 0.45 -1.08 0.00 0.00 178.44 178.73 1jh4 h HIS 57 N 0.15 0.54 -0.55 1.13 3.86 -1.37 -2.46 115.15 116.46 1jh4 h HIS 57 Ca 0.06 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1jh4 h HIS 57 Cb 0.44 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 1jh4 h HIS 57 CO 0.04 0.31 0.24 0.52 0.86 0.00 0.00 177.93 179.90 1jh4 h MET 58 N 0.58 0.43 -0.01 2.45 2.86 -1.29 0.47 114.93 120.42 1jh4 h MET 58 Ca 0.20 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1jh4 h MET 58 Cb 0.02 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1jh4 h MET 58 CO -0.09 0.29 0.01 1.25 1.06 0.00 0.00 176.91 179.43 1jh4 h LEU 59 N 0.45 0.00 -1.13 1.22 6.46 -1.00 0.10 115.31 121.40 1jh4 h LEU 59 Ca 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1jh4 h LEU 59 Cb 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1jh4 h LEU 59 CO -0.23 0.00 -0.20 -0.62 -0.62 0.00 0.00 178.44 176.78 1jh4 n GLU 60 N -3.51 1.55 -3.37 1.25 1.02 0.00 -4.79 120.64 112.79 1jh4 n GLU 60 Ca -0.03 -1.01 -0.24 0.00 -0.02 0.00 0.00 57.16 55.86 1jh4 n GLU 60 Cb 0.09 -1.26 -0.10 0.00 -0.02 0.00 0.00 31.44 30.15 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 -1.62 1.78 0.58 1.62 0.01 0.14 -4.99 113.70 111.22 1jh4 s SER 61 Ca 0.15 -2.29 0.29 0.00 1.31 0.00 0.00 55.95 55.41 1jh4 s SER 61 Cb 0.12 -0.04 1.44 0.00 0.21 0.00 0.00 66.02 67.76 1jh4 s SER 61 CO 0.31 -0.24 1.85 -0.65 0.41 0.00 0.00 173.24 174.92 1jh4 h PRO 62 N 6.47 0.00 0.21 12.44 0.11 -1.84 -1.58 132.00 147.82 1jh4 h PRO 62 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1jh4 h PRO 62 Cb 0.98 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1jh4 h PRO 62 CO 0.26 0.00 -0.22 1.05 -0.21 0.00 0.00 178.00 178.88 1jh4 h GLU 63 N 0.00 -0.46 0.03 1.05 4.11 -1.94 -0.15 114.58 117.23 1jh4 h GLU 63 Ca 0.28 0.03 -0.22 0.00 0.07 0.00 0.00 59.36 59.52 1jh4 h GLU 63 Cb 1.42 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1jh4 h GLU 63 CO -0.00 -0.31 -0.99 0.77 0.07 0.00 0.00 179.01 178.55 1jh4 h SER 64 N -0.48 0.27 0.52 3.06 0.02 -1.71 -3.08 113.55 112.16 1jh4 h SER 64 Ca 0.00 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1jh4 h SER 64 Cb 0.45 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1jh4 h SER 64 CO -0.06 1.11 -0.36 0.25 -1.14 0.00 0.00 176.83 176.63 1jh4 h LEU 65 N 0.09 -0.92 -1.56 5.07 7.12 -1.12 -2.43 115.31 121.55 1jh4 h LEU 65 Ca -0.06 0.06 0.11 0.00 0.13 0.00 0.00 57.88 58.12 1jh4 h LEU 65 Cb 1.67 0.28 -0.04 0.00 -0.53 0.00 0.00 40.66 42.03 1jh4 h LEU 65 CO 0.15 -0.53 0.45 -0.09 -0.13 0.00 0.00 178.44 178.30 1jh4 h ARG 66 N -0.83 0.46 -0.65 1.25 9.65 -1.15 -1.61 114.38 121.49 1jh4 h ARG 66 Ca -0.07 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.88 1jh4 h ARG 66 Cb 0.68 -0.10 -0.07 0.00 -1.39 0.00 0.00 29.97 29.08 1jh4 h ARG 66 CO 0.05 0.30 0.26 0.77 2.80 0.00 0.00 179.97 184.15 1jh4 h SER 67 N 0.47 0.28 0.09 -3.80 0.02 -1.35 0.34 113.55 109.60 1jh4 h SER 67 Ca 0.32 0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 61.20 1jh4 h SER 67 Cb 0.61 0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.21 1jh4 h SER 67 CO -0.10 0.15 -0.65 0.11 -1.14 0.00 0.00 176.83 175.20 1jh4 h LYS 68 N 0.45 0.27 -0.00 3.45 1.79 -0.87 -3.17 116.57 118.49 1jh4 h LYS 68 Ca 0.33 -0.42 0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1jh4 h LYS 68 Cb 0.41 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 1jh4 h LYS 68 CO -0.31 1.17 -0.07 0.28 -1.08 0.00 0.00 179.45 179.44 1jh4 h VAL 69 N -0.41 0.81 -0.18 0.50 2.07 -1.15 -1.46 116.25 116.43 1jh4 h VAL 69 Ca -0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1jh4 h VAL 69 Cb 1.48 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.99 1jh4 h VAL 69 CO 0.12 0.00 -0.42 -0.78 0.02 0.00 0.00 177.57 176.51 1jh4 h ASP 70 N -0.13 -1.34 -0.02 0.57 1.82 -0.47 -0.25 116.42 116.61 1jh4 h ASP 70 Ca 0.03 0.18 0.03 0.00 -0.39 0.00 0.00 57.03 56.88 1jh4 h ASP 70 Cb 0.17 0.55 -0.06 0.00 0.68 0.00 0.00 39.33 40.67 1jh4 h ASP 70 CO -0.08 -0.42 -0.43 -0.33 -1.61 0.00 0.00 179.24 176.37 1jh4 h GLU 71 N -0.47 -0.55 -0.93 0.28 3.07 -1.49 -1.21 114.58 113.29 1jh4 h GLU 71 Ca 0.08 0.04 0.20 0.00 -0.50 0.00 0.00 59.36 59.18 1jh4 h GLU 71 Cb 0.62 0.13 -0.11 0.00 -0.84 0.00 0.00 28.75 28.54 1jh4 h GLU 71 CO -0.43 -0.37 0.50 0.00 -1.40 0.00 0.00 179.01 177.31 1jh4 h ALA 72 N -0.05 1.51 -0.89 3.43 0.00 -0.83 0.47 119.26 122.91 1jh4 h ALA 72 Ca 0.05 0.11 0.20 0.00 0.00 0.00 0.00 54.91 55.27 1jh4 h ALA 72 Cb 0.66 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1jh4 h ALA 72 CO -0.33 -0.18 0.59 0.28 0.00 0.00 0.00 179.25 179.61 1jh4 h VAL 73 N 0.59 0.68 0.23 0.00 2.07 0.20 1.05 116.25 121.08 1jh4 h VAL 73 Ca 0.55 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.93 1jh4 h VAL 73 Cb 0.93 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1jh4 h VAL 73 CO -0.43 0.07 -0.11 0.00 0.02 0.00 0.00 177.57 177.11 1jh4 h ALA 74 N 1.61 -0.31 0.62 1.67 0.00 0.15 -2.94 119.26 120.05 1jh4 h ALA 74 Ca 0.46 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1jh4 h ALA 74 Cb 1.18 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1jh4 h ALA 74 CO -0.16 -0.33 -0.30 0.28 0.00 0.00 0.00 179.25 178.74 1jh4 h VAL 75 N -1.00 0.00 -0.11 0.00 2.07 -0.76 -2.89 116.25 113.56 1jh4 h VAL 75 Ca -0.03 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1jh4 h VAL 75 Cb 0.42 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 1jh4 h VAL 75 CO 0.05 0.00 -0.39 0.25 0.02 0.00 0.00 177.57 177.51 1jh4 h LEU 76 N -1.12 -1.20 -1.99 2.57 5.85 0.92 0.75 115.31 121.09 1jh4 h LEU 76 Ca -0.09 0.16 0.28 0.00 0.84 0.00 0.00 57.88 59.07 1jh4 h LEU 76 Cb 0.64 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1jh4 h LEU 76 CO 0.14 -0.41 0.70 -0.61 -0.34 0.00 0.00 178.44 177.92 1jh4 h GLN 77 N -0.47 0.00 0.02 1.25 -0.00 -1.55 1.10 115.11 115.45 1jh4 h GLN 77 Ca 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.67 1jh4 h GLN 77 Cb 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.08 1jh4 h GLN 77 CO -0.37 0.00 -0.32 0.00 0.00 0.00 0.00 178.83 178.14 1jh4 h ALA 78 N 1.50 0.04 0.00 3.38 0.00 -0.40 -3.31 119.26 120.47 1jh4 h ALA 78 Ca 0.45 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jh4 h ALA 78 Cb 1.84 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1jh4 h ALA 78 CO -0.00 0.17 0.00 0.72 0.00 0.00 0.00 179.25 180.14 1jh4 n HIS 79 N -4.52 0.00 0.11 0.00 8.25 0.23 -2.82 115.22 116.47 1jh4 n HIS 79 Ca -0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.29 1jh4 n HIS 79 Cb 0.56 -0.23 0.07 0.00 1.12 0.00 0.00 29.99 31.51 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 0.00 -0.06 -0.41 5.75 0.11 -3.43 115.11 117.07 1jh4 h GLN 80 Ca 0.00 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 1jh4 h GLN 80 Cb 0.17 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 28.56 1jh4 h GLN 80 CO 0.00 0.74 -0.05 0.00 -2.65 0.00 0.00 178.83 176.86 1jh4 s ALA 81 N -3.24 -4.87 -0.60 3.38 0.00 -1.13 -5.01 121.76 110.29 1jh4 s ALA 81 Ca -0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1jh4 s ALA 81 Cb 0.11 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1jh4 s ALA 81 CO 0.78 -2.56 0.69 1.17 0.00 0.00 0.00 175.76 175.84 1jh4 n LYS 82 N 3.13 0.99 -2.47 0.00 0.00 -1.13 -4.85 118.16 113.83 1jh4 n LYS 82 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.15 1jh4 n LYS 82 Cb 0.65 -1.30 0.05 0.00 0.00 0.00 0.00 35.03 34.43 1jh4 n LYS 82 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1jh4 s GLU 83 N -0.60 2.42 -0.63 1.64 2.12 -1.26 -5.00 118.70 117.38 1jh4 s GLU 83 Ca 0.00 -0.57 -0.27 0.00 0.36 0.00 0.00 54.97 54.49 1jh4 s GLU 83 Cb 0.00 -2.36 0.01 0.00 0.26 0.00 0.00 34.13 32.04 1jh4 s GLU 83 CO 0.00 -0.91 1.43 0.00 -0.54 0.00 0.00 175.26 175.24 1jh4 s ALA 84 N -2.95 2.69 -0.52 6.30 0.00 -1.26 -4.96 121.76 121.07 1jh4 s ALA 84 Ca 0.58 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 1jh4 s ALA 84 Cb -0.10 -4.19 0.02 0.00 0.00 0.00 0.00 23.12 18.85 1jh4 s ALA 84 CO 0.41 -3.20 1.36 0.00 0.00 0.00 0.00 175.76 174.33 1jh4 s ALA 85 N 6.40 2.93 -1.03 0.00 0.00 -1.26 -4.90 121.76 123.90 1jh4 s ALA 85 Ca 0.49 -0.54 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1jh4 s ALA 85 Cb -0.10 -4.03 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 1jh4 s ALA 85 CO 0.21 -2.69 2.88 0.94 0.00 0.00 0.00 175.76 177.09 1jh4 n GLN 86 N 8.40 3.45 -2.77 0.00 7.27 -1.26 -4.81 117.38 127.66 1jh4 n GLN 86 Ca 0.13 -2.40 -0.43 0.00 0.07 0.00 0.00 57.00 54.36 1jh4 n GLN 86 Cb 0.49 -2.49 0.00 0.00 2.41 0.00 0.00 30.24 30.66 1jh4 n GLN 86 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1jh4 n LYS 87 N 2.33 3.61 0.19 3.69 4.76 -1.26 -4.80 118.16 126.68 1jh4 n LYS 87 Ca 0.62 -3.88 -0.09 0.00 -2.87 0.00 0.00 58.31 52.09 1jh4 n LYS 87 Cb 0.42 -2.88 -0.04 0.00 -1.84 0.00 0.00 35.03 30.69 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jh4 h ALA 88 N 6.36 -0.57 -1.51 7.82 0.00 -2.04 -3.40 119.26 125.92 1jh4 h ALA 88 Ca 0.32 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.50 1jh4 h ALA 88 Cb 0.75 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1jh4 h ALA 88 CO 1.37 -0.53 0.89 0.08 0.00 0.00 0.00 179.25 181.06 1jh4 s VAL 89 N -3.38 4.12 -0.23 0.00 1.01 -1.26 -4.78 120.40 115.88 1jh4 s VAL 89 Ca -0.08 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1jh4 s VAL 89 Cb 0.01 -4.83 -0.10 0.00 0.00 0.00 0.00 36.38 31.46 1jh4 s VAL 89 CO 0.25 -1.67 -0.29 0.59 0.00 0.00 0.00 175.10 173.98 1jh4 n ASN 90 N 8.28 1.60 -3.36 3.32 3.02 -1.26 -4.64 115.26 122.22 1jh4 n ASN 90 Ca 0.07 0.27 -0.39 0.00 -0.03 0.00 0.00 54.58 54.50 1jh4 n ASN 90 Cb 0.48 -0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 1jh4 n ASN 90 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1jh4 n SER 91 N -4.00 8.52 0.00 6.41 3.41 -1.26 -4.66 113.62 122.04 1jh4 n SER 91 Ca -0.44 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.47 1jh4 n SER 91 Cb 0.82 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1jh4 n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jh4 n ALA 92 N 3.25 -0.07 -2.80 7.33 0.00 -1.26 -4.92 120.51 122.04 1jh4 n ALA 92 Ca 0.75 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.90 1jh4 n ALA 92 Cb 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 1jh4 n ALA 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jh4 s THR 93 N -0.91 4.63 0.00 0.00 2.01 -1.26 -5.12 115.64 114.99 1jh4 s THR 93 Ca 0.00 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.17 1jh4 s THR 93 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1jh4 s THR 93 CO 0.00 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1jh4 n GLY 94 N 0.14 0.66 3.53 4.40 0.00 -1.26 -4.97 105.19 107.69 1jh4 n GLY 94 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1jh4 n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jh4 s VAL 95 N 1.93 4.61 0.39 1.61 -7.23 -1.26 -5.05 120.40 115.40 1jh4 s VAL 95 Ca 0.00 0.37 -0.06 0.00 -1.81 0.00 0.00 61.98 60.47 1jh4 s VAL 95 Cb 0.00 -4.36 0.10 0.00 0.56 0.00 0.00 36.38 32.68 1jh4 s VAL 95 CO 0.00 -0.79 0.31 -0.81 -0.31 0.00 0.00 175.10 173.50 1jh4 n PRO 96 N 6.83 -1.94 -1.04 4.82 -0.04 -1.26 -4.88 135.00 137.49 1jh4 n PRO 96 Ca 0.02 -0.51 -0.19 0.00 -0.04 0.00 0.00 63.50 62.78 1jh4 n PRO 96 Cb 0.48 -0.51 0.01 0.00 -0.04 0.00 0.00 33.50 33.44 1jh4 n PRO 96 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1jh4 n THR 97 N -3.36 2.92 0.24 0.52 5.66 -1.26 -5.31 114.28 113.69 1jh4 n THR 97 Ca 0.04 -1.98 0.03 0.00 -3.05 0.00 0.00 64.05 59.10 1jh4 n THR 97 Cb 0.18 -1.41 0.02 0.00 -1.55 0.00 0.00 70.33 67.57 1jh4 n THR 97 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54