#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 -0.23 0.00 1.61 0.13 -2.05 -3.46 132.00 127.99 1jh4 h PRO 2 Ca 0.00 0.02 -0.43 0.00 -0.87 0.00 0.00 66.00 64.71 1jh4 h PRO 2 Cb 0.00 0.05 0.18 0.00 0.13 0.00 0.00 31.00 31.36 1jh4 h PRO 2 CO 0.00 0.17 0.39 1.47 -0.23 0.00 0.00 178.00 179.80 1jh4 n LEU 3 N -4.98 0.00 -4.46 1.56 -0.00 -1.26 -5.04 117.00 102.82 1jh4 n LEU 3 Ca -0.08 -1.44 -0.37 0.00 -0.00 0.00 0.00 56.01 54.11 1jh4 n LEU 3 Cb 0.26 -1.03 -0.12 0.00 -0.00 0.00 0.00 43.42 42.53 1jh4 n LEU 3 CO 0.29 -1.55 -0.24 -0.83 -0.00 0.00 0.00 177.39 175.06 1jh4 s GLY 4 N -5.77 1.82 0.48 1.47 0.00 -1.26 -5.09 107.32 98.97 1jh4 s GLY 4 Ca 0.76 -1.23 -0.06 0.00 0.00 0.00 0.00 44.72 44.18 1jh4 s GLY 4 CO 0.54 0.61 0.81 -0.56 0.00 0.00 0.00 173.10 174.49 1jh4 s SER 5 N 1.63 6.30 0.98 1.64 0.01 -1.26 -5.05 113.70 117.94 1jh4 s SER 5 Ca 0.06 1.00 -0.14 0.00 1.31 0.00 0.00 55.95 58.18 1jh4 s SER 5 Cb -0.16 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.82 1jh4 s SER 5 CO 0.05 -0.58 0.23 -2.65 0.41 0.00 0.00 173.24 170.71 1jh4 n PRO 6 N -2.16 -0.43 -3.29 12.44 -0.02 -1.26 -4.97 135.00 135.30 1jh4 n PRO 6 Ca 0.01 -0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 1jh4 n PRO 6 Cb 0.55 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.25 4.49 -0.05 2.45 1.98 -1.26 -5.00 118.68 121.04 1jh4 s LEU 7 Ca 0.55 1.22 -0.06 0.00 -2.89 0.00 0.00 54.13 52.96 1jh4 s LEU 7 Cb -0.19 -2.95 -0.28 0.00 0.66 0.00 0.00 46.19 43.42 1jh4 s LEU 7 CO 0.69 0.25 0.63 0.71 -1.89 0.00 0.00 176.35 176.74 1jh4 h THR 8 N 3.41 0.90 0.08 3.68 1.35 -1.98 -2.94 112.91 117.41 1jh4 h THR 8 Ca -0.50 -2.56 -0.00 0.00 -0.55 0.00 0.00 66.41 62.81 1jh4 h THR 8 Cb 1.21 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 1jh4 h THR 8 CO 0.64 0.83 -0.05 0.00 -0.25 0.00 0.00 175.52 176.69 1jh4 h ALA 9 N 0.28 -0.97 -0.15 6.62 0.00 -2.01 -2.49 119.26 120.54 1jh4 h ALA 9 Ca -0.34 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.59 1jh4 h ALA 9 Cb 2.05 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.95 1jh4 h ALA 9 CO 0.14 -0.97 0.17 1.03 0.00 0.00 0.00 179.25 179.63 1jh4 h SER 10 N -0.12 0.00 -0.50 0.00 0.87 -1.98 -1.38 113.55 110.44 1jh4 h SER 10 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1jh4 h SER 10 Cb 0.09 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1jh4 h SER 10 CO 0.01 0.00 0.22 0.00 -0.53 0.00 0.00 176.83 176.54 1jh4 h MET 11 N 0.00 0.74 0.50 2.24 -0.00 -1.31 0.01 114.93 117.11 1jh4 h MET 11 Ca 0.07 -0.12 -0.01 0.00 -0.00 0.00 0.00 59.70 59.63 1jh4 h MET 11 Cb 0.41 -0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 31.86 1jh4 h MET 11 CO -0.00 0.64 -0.51 1.25 -0.00 0.00 0.00 176.91 178.29 1jh4 h LEU 12 N 0.67 -1.40 0.00 -0.10 7.12 -0.80 -0.05 115.31 120.76 1jh4 h LEU 12 Ca 0.17 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.29 1jh4 h LEU 12 Cb 0.16 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 1jh4 h LEU 12 CO -0.02 -0.67 0.00 0.00 -0.13 0.00 0.00 178.44 177.62 1jh4 n ALA 13 N -2.82 2.10 0.03 1.25 0.00 -1.16 -2.32 120.51 117.59 1jh4 n ALA 13 Ca -0.12 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1jh4 n ALA 13 Cb 0.46 -1.07 0.25 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.62 3.65 -4.12 0.00 2.88 -0.02 -4.94 113.62 110.45 1jh4 n SER 14 Ca 0.03 -1.99 -0.17 0.00 -1.33 0.00 0.00 58.87 55.41 1jh4 n SER 14 Cb 0.02 -0.34 -0.12 0.00 -0.75 0.00 0.00 64.21 63.01 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 -1.29 0.93 0.75 -1.46 0.00 -0.98 -5.03 121.76 114.69 1jh4 s ALA 15 Ca 0.42 -0.85 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 1jh4 s ALA 15 Cb 0.24 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1jh4 s ALA 15 CO 0.32 0.11 -0.14 -2.30 0.00 0.00 0.00 175.76 173.75 1jh4 n PRO 16 N 1.55 -0.75 0.00 0.00 -0.01 -1.26 -4.64 135.00 129.89 1jh4 n PRO 16 Ca -0.21 -0.22 0.00 0.00 -0.01 0.00 0.00 63.50 63.06 1jh4 n PRO 16 Cb 0.55 -1.16 0.00 0.00 -0.01 0.00 0.00 33.50 32.87 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 0.80 0.00 0.30 0.52 -0.02 -1.26 -2.18 135.00 133.16 1jh4 n PRO 17 Ca 0.02 0.30 0.18 0.00 -2.02 0.00 0.00 63.50 61.97 1jh4 n PRO 17 Cb 0.24 -1.02 0.90 0.00 -0.02 0.00 0.00 33.50 33.60 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 -1.66 -0.52 3.07 -2.02 -1.56 115.11 112.42 1jh4 h GLN 18 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 1jh4 h GLN 18 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.51 1jh4 h GLN 18 CO 0.00 0.00 0.15 0.39 0.09 0.00 0.00 178.83 179.46 1jh4 n GLU 19 N -3.14 1.29 0.00 0.06 -0.58 -0.93 -4.49 120.64 112.86 1jh4 n GLU 19 Ca -0.01 -0.59 0.00 0.00 -0.42 0.00 0.00 57.16 56.14 1jh4 n GLU 19 Cb 0.33 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 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 0.89 0.00 0.00 3.49 10.64 -0.59 -4.13 117.38 127.68 1jh4 n GLN 20 Ca 0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 1jh4 n GLN 20 Cb 0.57 -0.38 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 -0.14 0.97 0.22 2.61 4.76 -1.26 -4.29 118.16 121.02 1jh4 n LYS 21 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1jh4 n LYS 21 Cb 0.00 -1.34 -0.04 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 0.02 -0.55 0.00 1.97 -0.00 -1.76 -3.22 115.11 111.56 1jh4 h GLN 22 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1jh4 h GLN 22 Cb 0.34 0.13 0.00 0.00 0.00 0.00 0.00 27.48 27.95 1jh4 h GLN 22 CO 0.00 -0.37 0.00 -1.33 0.00 0.00 0.00 178.83 177.13 1jh4 n MET 23 N -3.81 0.00 -0.18 1.69 2.81 -1.26 -3.28 117.12 113.10 1jh4 n MET 23 Ca -0.07 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.78 1jh4 n MET 23 Cb 0.23 -0.49 -0.02 0.00 -0.71 0.00 0.00 33.22 32.23 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 1.07 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.95 1jh4 n LEU 24 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 56.01 54.81 1jh4 n LEU 24 Cb 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 42.99 1jh4 n LEU 24 CO 0.00 -0.42 0.00 0.61 -0.00 0.00 0.00 177.39 177.58 1jh4 n GLY 25 N 3.39 0.50 0.00 1.47 0.00 -1.20 -4.10 105.19 105.25 1jh4 n GLY 25 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 5.08 0.00 -0.06 1.61 1.02 -1.26 -4.37 120.64 122.67 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 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.27 0.00 0.02 3.49 3.00 -1.26 -4.88 116.66 116.75 1jh4 n ARG 27 Ca 0.00 -0.55 -0.18 0.00 -0.00 0.00 0.00 57.85 57.12 1jh4 n ARG 27 Cb 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 32.46 31.86 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 -0.56 6.15 3.38 -1.90 -3.22 115.31 119.73 1jh4 h LEU 28 Ca 0.00 -0.79 0.11 0.00 0.09 0.00 0.00 57.88 57.30 1jh4 h LEU 28 Cb 1.05 -0.18 -0.11 0.00 0.09 0.00 0.00 40.66 41.52 1jh4 h LEU 28 CO 0.00 1.29 -0.14 0.15 0.09 0.00 0.00 178.44 179.83 1jh4 h PHE 29 N -0.08 -0.29 -0.51 1.13 3.57 -1.79 0.94 116.94 119.90 1jh4 h PHE 29 Ca -0.09 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.49 1jh4 h PHE 29 Cb 1.41 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.33 1jh4 h PHE 29 CO 0.15 -0.24 0.28 -1.35 -2.23 0.00 0.00 178.31 174.92 1jh4 h PRO 30 N 0.00 0.54 -0.08 6.41 0.11 -1.87 1.05 132.00 138.17 1jh4 h PRO 30 Ca 0.27 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.29 1jh4 h PRO 30 Cb 0.41 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1jh4 h PRO 30 CO -0.57 0.36 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.33 1jh4 h LEU 31 N 0.56 0.29 -0.68 2.35 3.38 -1.22 -3.07 115.31 116.91 1jh4 h LEU 31 Ca 0.22 -0.57 -0.11 0.00 0.09 0.00 0.00 57.88 57.50 1jh4 h LEU 31 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jh4 h LEU 31 CO -0.13 0.81 -0.16 -0.29 0.09 0.00 0.00 178.44 178.76 1jh4 h ILE 32 N -0.22 1.27 -0.96 1.22 -0.00 0.96 -2.13 117.51 117.64 1jh4 h ILE 32 Ca 0.00 -1.28 0.27 0.00 -0.00 0.00 0.00 64.86 63.85 1jh4 h ILE 32 Cb 0.77 1.09 -0.14 0.00 -0.00 0.00 0.00 36.82 38.54 1jh4 h ILE 32 CO 0.04 0.44 0.50 -0.61 -0.00 0.00 0.00 178.15 178.51 1jh4 h GLN 33 N 0.76 0.39 -0.77 2.19 -0.00 0.12 1.98 115.11 119.77 1jh4 h GLN 33 Ca 0.11 -0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.83 1jh4 h GLN 33 Cb 0.68 -0.09 -0.05 0.00 0.00 0.00 0.00 27.48 28.02 1jh4 h GLN 33 CO 0.05 0.26 0.50 0.00 0.00 0.00 0.00 178.83 179.64 1jh4 h ALA 34 N 1.78 1.74 0.00 3.38 0.00 -1.28 -3.26 119.26 121.62 1jh4 h ALA 34 Ca 0.65 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 55.17 1jh4 h ALA 34 Cb 1.34 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1jh4 h ALA 34 CO -0.56 0.11 -2.17 -1.33 0.00 0.00 0.00 179.25 175.30 1jh4 n MET 35 N -4.50 0.58 -3.53 0.00 2.81 0.32 -4.96 117.12 107.84 1jh4 n MET 35 Ca 0.12 0.29 -0.19 0.00 -1.81 0.00 0.00 57.70 56.12 1jh4 n MET 35 Cb 0.29 -1.51 0.07 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 -4.31 -2.13 0.00 2.03 8.25 0.59 -4.96 115.22 114.69 1jh4 n HIS 36 Ca -0.46 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1jh4 n HIS 36 Cb 0.80 -4.85 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 -4.22 0.00 -0.08 -0.41 -0.04 -1.26 -4.69 135.00 124.30 1jh4 n PRO 37 Ca -0.28 0.33 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 1jh4 n PRO 37 Cb 0.67 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.49 1.45 -3.15 0.52 -2.24 -1.26 -5.02 114.28 103.09 1jh4 n THR 38 Ca 0.00 0.18 0.05 0.00 -2.27 0.00 0.00 64.05 62.01 1jh4 n THR 38 Cb 0.00 -2.37 -0.01 0.00 -2.10 0.00 0.00 70.33 65.85 1jh4 n THR 38 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1jh4 s LEU 39 N -8.06 -0.83 0.21 3.22 2.96 -1.26 -5.05 118.68 109.88 1jh4 s LEU 39 Ca -0.22 0.44 -0.13 0.00 -0.22 0.00 0.00 54.13 54.00 1jh4 s LEU 39 Cb 0.03 1.66 0.25 0.00 0.50 0.00 0.00 46.19 48.63 1jh4 s LEU 39 CO 0.32 -0.15 1.64 0.00 -1.32 0.00 0.00 176.35 176.84 1jh4 h ALA 40 N 7.93 0.48 0.42 5.97 0.00 -1.90 0.67 119.26 132.82 1jh4 h ALA 40 Ca -0.15 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jh4 h ALA 40 Cb 1.17 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1jh4 h ALA 40 CO 0.03 -0.42 -0.24 0.78 0.00 0.00 0.00 179.25 179.40 1jh4 h GLY 41 N 0.04 -0.77 1.14 0.00 0.00 -1.97 -2.25 103.07 99.27 1jh4 h GLY 41 Ca 0.30 0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.92 1jh4 h GLY 41 CO -0.59 -0.27 0.39 0.50 0.00 0.00 0.00 176.54 176.57 1jh4 h LYS 42 N -0.61 1.11 -0.94 4.80 1.57 -1.95 -2.55 116.57 118.00 1jh4 h LYS 42 Ca -0.06 -0.15 0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1jh4 h LYS 42 Cb 0.48 -0.21 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 1jh4 h LYS 42 CO 0.07 0.85 0.60 0.97 -0.57 0.00 0.00 179.45 181.37 1jh4 h ILE 43 N 1.11 0.96 -0.55 1.86 2.10 0.34 -1.59 117.51 121.73 1jh4 h ILE 43 Ca 0.27 -0.32 0.10 0.00 1.08 0.00 0.00 64.86 65.99 1jh4 h ILE 43 Cb 0.09 -0.07 -0.08 0.00 -1.09 0.00 0.00 36.82 35.67 1jh4 h ILE 43 CO -0.04 0.17 0.08 0.74 -1.08 0.00 0.00 178.15 178.03 1jh4 h THR 44 N 0.94 0.64 -0.80 2.19 2.02 -0.96 -0.10 112.91 116.86 1jh4 h THR 44 Ca 0.44 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.64 1jh4 h THR 44 Cb 0.42 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 1jh4 h THR 44 CO -0.20 0.04 0.52 1.23 0.37 0.00 0.00 175.52 177.47 1jh4 h GLY 45 N 0.21 1.07 0.42 2.16 0.00 -1.36 0.98 103.07 106.56 1jh4 h GLY 45 Ca 0.28 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1jh4 h GLY 45 CO -0.39 0.20 -0.20 -0.33 0.00 0.00 0.00 176.54 175.82 1jh4 h MET 46 N 0.78 -0.55 -0.04 4.80 2.07 -1.01 -3.15 114.93 117.83 1jh4 h MET 46 Ca 0.36 0.04 0.01 0.00 -2.07 0.00 0.00 59.70 58.04 1jh4 h MET 46 Cb 0.36 0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1jh4 h MET 46 CO -0.13 -0.36 0.09 -0.07 1.07 0.00 0.00 176.91 177.50 1jh4 h LEU 47 N -0.97 0.00 -1.24 1.22 -0.00 -1.19 -2.98 115.31 110.14 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 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 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 -3.40 0.06 0.00 1.67 7.94 0.33 -3.38 117.00 120.21 1jh4 n LEU 48 Ca -0.02 -0.03 0.11 0.00 -1.11 0.00 0.00 56.01 54.96 1jh4 n LEU 48 Cb 0.17 -0.02 0.55 0.00 0.53 0.00 0.00 43.42 44.64 1jh4 n LEU 48 CO 0.23 0.01 0.86 -1.84 -1.11 0.00 0.00 177.39 175.54 1jh4 n GLU 49 N 0.60 0.25 -3.70 1.96 -0.00 -1.13 -4.80 120.64 113.82 1jh4 n GLU 49 Ca 0.00 0.08 -0.23 0.00 -0.00 0.00 0.00 57.16 57.01 1jh4 n GLU 49 Cb 0.01 -1.50 -0.02 0.00 -0.00 0.00 0.00 31.44 29.93 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 -2.66 2.22 0.49 3.84 2.07 -1.22 -5.11 121.20 120.83 1jh4 s ILE 50 Ca 0.19 -1.41 -0.20 0.00 -1.41 0.00 0.00 60.65 57.82 1jh4 s ILE 50 Cb 0.15 -2.63 -0.08 0.00 0.13 0.00 0.00 42.46 40.03 1jh4 s ILE 50 CO 0.35 0.00 1.05 -0.62 -1.91 0.00 0.00 174.94 173.81 1jh4 s ASP 51 N -4.20 6.26 0.59 4.50 2.15 -1.26 -4.91 116.67 119.80 1jh4 s ASP 51 Ca 0.43 1.96 0.28 0.00 0.43 0.00 0.00 52.55 55.66 1jh4 s ASP 51 Cb -0.02 -2.56 1.54 0.00 -0.30 0.00 0.00 42.92 41.58 1jh4 s ASP 51 CO 0.26 -0.84 1.98 -1.13 -0.17 0.00 0.00 175.17 175.27 1jh4 h ASN 52 N 1.52 0.00 0.47 -0.34 -0.73 -1.99 0.52 115.58 115.02 1jh4 h ASN 52 Ca -0.50 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 57.52 1jh4 h ASN 52 Cb 1.23 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.80 1jh4 h ASN 52 CO 0.59 0.00 -0.65 0.77 -0.37 0.00 0.00 177.43 177.76 1jh4 h SER 53 N 0.00 0.20 -0.06 1.15 4.64 -2.00 -2.92 113.55 114.56 1jh4 h SER 53 Ca 0.16 -0.12 -0.22 0.00 -0.47 0.00 0.00 61.79 61.14 1jh4 h SER 53 Cb 0.89 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1jh4 h SER 53 CO -0.00 0.79 -0.84 -0.08 -0.87 0.00 0.00 176.83 175.83 1jh4 h GLU 54 N 0.12 0.67 -0.02 4.77 4.22 -1.26 -3.10 114.58 119.97 1jh4 h GLU 54 Ca -0.01 -0.64 -0.03 0.00 0.08 0.00 0.00 59.36 58.76 1jh4 h GLU 54 Cb 1.17 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1jh4 h GLU 54 CO 0.10 1.25 -0.12 1.25 -2.18 0.00 0.00 179.01 179.30 1jh4 h LEU 55 N 0.33 0.02 -0.64 1.64 6.46 -1.50 -1.51 115.31 120.11 1jh4 h LEU 55 Ca -0.09 -0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.55 1jh4 h LEU 55 Cb 1.49 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.40 1jh4 h LEU 55 CO 0.17 0.15 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.86 1jh4 h LEU 56 N 0.03 0.86 -0.07 2.25 3.38 -1.48 -2.67 115.31 117.60 1jh4 h LEU 56 Ca 0.00 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1jh4 h LEU 56 Cb 0.23 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jh4 h LEU 56 CO 0.02 1.04 0.02 0.45 0.09 0.00 0.00 178.44 180.05 1jh4 h HIS 57 N 0.74 0.12 -0.89 1.13 3.86 -1.22 -2.83 115.15 116.05 1jh4 h HIS 57 Ca 0.10 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1jh4 h HIS 57 Cb 0.74 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.13 1jh4 h HIS 57 CO 0.04 0.29 0.54 0.00 0.86 0.00 0.00 177.93 179.65 1jh4 h MET 58 N -0.09 1.21 0.00 2.45 -0.00 -1.45 -1.09 114.93 115.97 1jh4 h MET 58 Ca 0.02 -0.11 -0.00 0.00 -0.00 0.00 0.00 59.70 59.61 1jh4 h MET 58 Cb 0.23 -0.25 -0.00 0.00 -0.00 0.00 0.00 31.60 31.57 1jh4 h MET 58 CO -0.00 0.85 -0.02 1.25 -0.00 0.00 0.00 176.91 178.99 1jh4 h LEU 59 N 1.23 0.00 -0.14 -0.10 6.46 -1.37 0.23 115.31 121.62 1jh4 h LEU 59 Ca 0.32 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 1jh4 h LEU 59 Cb -0.05 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1jh4 h LEU 59 CO -0.06 0.02 -0.26 -0.62 -0.62 0.00 0.00 178.44 176.90 1jh4 n GLU 60 N -4.20 0.31 -3.46 1.25 1.02 -0.46 -4.61 120.64 110.49 1jh4 n GLU 60 Ca -0.03 -0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 56.74 1jh4 n GLU 60 Cb 0.11 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.78 2.55 0.54 1.62 0.01 0.81 -5.01 113.70 111.44 1jh4 s SER 61 Ca 0.18 -1.30 0.32 0.00 1.31 0.00 0.00 55.95 56.46 1jh4 s SER 61 Cb 0.19 0.03 1.49 0.00 0.21 0.00 0.00 66.02 67.94 1jh4 s SER 61 CO 0.58 -0.38 1.87 -0.65 0.41 0.00 0.00 173.24 175.07 1jh4 h PRO 62 N 7.96 0.00 0.09 12.44 0.11 -1.81 -1.56 132.00 149.23 1jh4 h PRO 62 Ca -0.10 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.02 1jh4 h PRO 62 Cb 1.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1jh4 h PRO 62 CO 0.35 0.00 -0.22 1.05 -0.21 0.00 0.00 178.00 178.97 1jh4 h GLU 63 N 0.00 -0.38 -0.01 1.05 4.11 -1.95 0.12 114.58 117.53 1jh4 h GLU 63 Ca 0.43 0.03 -0.17 0.00 0.07 0.00 0.00 59.36 59.71 1jh4 h GLU 63 Cb 1.77 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.09 1jh4 h GLU 63 CO -0.00 -0.25 -0.79 0.77 0.07 0.00 0.00 179.01 178.81 1jh4 h SER 64 N -0.39 0.14 0.69 3.06 0.02 -1.64 -3.09 113.55 112.34 1jh4 h SER 64 Ca 0.03 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1jh4 h SER 64 Cb 0.43 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1jh4 h SER 64 CO -0.14 0.87 -0.50 0.25 -1.14 0.00 0.00 176.83 176.17 1jh4 h LEU 65 N 0.07 -1.30 -1.70 5.07 7.12 -0.87 -2.02 115.31 121.67 1jh4 h LEU 65 Ca -0.02 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.16 1jh4 h LEU 65 Cb 1.38 0.40 -0.03 0.00 -0.53 0.00 0.00 40.66 41.88 1jh4 h LEU 65 CO 0.11 -0.72 0.37 -0.09 -0.13 0.00 0.00 178.44 177.97 1jh4 h ARG 66 N -1.14 0.33 -0.51 1.25 2.43 -1.07 -1.98 114.38 113.70 1jh4 h ARG 66 Ca -0.09 -0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.16 1jh4 h ARG 66 Cb 0.93 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.33 1jh4 h ARG 66 CO 0.04 0.22 0.01 0.77 -1.51 0.00 0.00 179.97 179.51 1jh4 h SER 67 N 0.34 -0.19 0.06 -3.80 0.02 -1.29 0.24 113.55 108.93 1jh4 h SER 67 Ca 0.25 0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 61.24 1jh4 h SER 67 Cb 0.53 0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.29 1jh4 h SER 67 CO -0.06 -0.06 -0.34 0.11 -1.14 0.00 0.00 176.83 175.34 1jh4 h LYS 68 N 0.13 0.13 0.10 3.45 1.57 -1.08 -3.18 116.57 117.69 1jh4 h LYS 68 Ca 0.26 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1jh4 h LYS 68 Cb 0.39 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1jh4 h LYS 68 CO -0.42 1.10 -0.20 0.28 -0.57 0.00 0.00 179.45 179.64 1jh4 h VAL 69 N -0.73 0.55 -0.02 0.50 2.07 -1.28 -0.68 116.25 116.66 1jh4 h VAL 69 Ca -0.06 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1jh4 h VAL 69 Cb 1.26 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1jh4 h VAL 69 CO 0.06 0.00 -0.45 -0.78 0.02 0.00 0.00 177.57 176.43 1jh4 h ASP 70 N -0.38 -1.37 -0.30 0.57 3.58 -0.68 0.13 116.42 117.98 1jh4 h ASP 70 Ca 0.03 0.16 0.07 0.00 0.42 0.00 0.00 57.03 57.71 1jh4 h ASP 70 Cb 0.40 0.53 -0.08 0.00 1.72 0.00 0.00 39.33 41.90 1jh4 h ASP 70 CO -0.11 -0.47 -0.27 -0.33 -2.88 0.00 0.00 179.24 175.18 1jh4 h GLU 71 N -0.59 -0.24 -0.62 0.28 4.39 -1.50 -0.83 114.58 115.47 1jh4 h GLU 71 Ca 0.04 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.87 1jh4 h GLU 71 Cb 0.67 0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.29 1jh4 h GLU 71 CO -0.34 -0.16 0.20 0.00 -1.16 0.00 0.00 179.01 177.55 1jh4 h ALA 72 N 0.79 0.79 -0.95 3.43 0.00 -0.52 0.21 119.26 123.01 1jh4 h ALA 72 Ca 0.15 0.11 0.26 0.00 0.00 0.00 0.00 54.91 55.42 1jh4 h ALA 72 Cb 0.49 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1jh4 h ALA 72 CO -0.44 -0.24 0.66 0.28 0.00 0.00 0.00 179.25 179.51 1jh4 h VAL 73 N 0.35 0.56 0.30 0.00 2.07 0.71 0.80 116.25 121.05 1jh4 h VAL 73 Ca 0.32 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 1jh4 h VAL 73 Cb 0.45 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1jh4 h VAL 73 CO -0.36 0.03 -0.14 0.00 0.02 0.00 0.00 177.57 177.12 1jh4 h ALA 74 N 1.56 -0.43 0.64 1.67 0.00 -0.30 -2.90 119.26 119.50 1jh4 h ALA 74 Ca 0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1jh4 h ALA 74 Cb 1.61 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1jh4 h ALA 74 CO -0.08 -0.40 -0.35 0.28 0.00 0.00 0.00 179.25 178.70 1jh4 h VAL 75 N -1.01 0.00 -0.14 0.00 2.07 -0.47 -2.55 116.25 114.15 1jh4 h VAL 75 Ca -0.04 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1jh4 h VAL 75 Cb 0.31 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 1jh4 h VAL 75 CO 0.07 0.00 -0.37 -0.07 0.02 0.00 0.00 177.57 177.22 1jh4 h LEU 76 N -0.91 -1.16 -1.60 2.57 3.38 0.38 1.12 115.31 119.08 1jh4 h LEU 76 Ca -0.09 0.16 0.26 0.00 0.09 0.00 0.00 57.88 58.30 1jh4 h LEU 76 Cb 0.72 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 1jh4 h LEU 76 CO 0.12 -0.39 0.67 -0.61 0.09 0.00 0.00 178.44 178.32 1jh4 h GLN 77 N -0.44 0.27 0.00 1.13 -0.00 -1.57 0.72 115.11 115.21 1jh4 h GLN 77 Ca 0.09 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 1jh4 h GLN 77 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 28.01 1jh4 h GLN 77 CO -0.38 0.18 -0.10 0.00 0.00 0.00 0.00 178.83 178.52 1jh4 h ALA 78 N 1.57 0.01 0.47 3.38 0.00 -0.53 -3.40 119.26 120.76 1jh4 h ALA 78 Ca 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1jh4 h ALA 78 Cb 1.56 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1jh4 h ALA 78 CO -0.17 0.09 -0.25 0.45 0.00 0.00 0.00 179.25 179.37 1jh4 h HIS 79 N -1.00 -0.64 0.00 0.00 3.86 0.18 -3.27 115.15 114.28 1jh4 h HIS 79 Ca -0.01 -0.01 -0.61 0.00 -1.16 0.00 0.00 60.37 58.58 1jh4 h HIS 79 Cb 0.27 0.22 0.05 0.00 1.06 0.00 0.00 27.41 29.01 1jh4 h HIS 79 CO 0.02 -0.38 2.26 0.94 0.86 0.00 0.00 177.93 181.62 1jh4 n GLN 80 N -3.84 1.45 -2.95 2.45 -0.06 0.24 -4.43 117.38 110.24 1jh4 n GLN 80 Ca -0.08 -1.72 -0.14 0.00 -2.00 0.00 0.00 57.00 53.06 1jh4 n GLN 80 Cb 0.26 -2.82 0.02 0.00 -4.06 0.00 0.00 30.24 23.64 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 7.14 0.44 0.46 1.69 0.00 -1.24 -4.73 120.51 124.28 1jh4 n ALA 81 Ca 0.48 -2.34 0.13 0.00 0.00 0.00 0.00 53.44 51.70 1jh4 n ALA 81 Cb 0.37 -1.07 0.47 0.00 0.00 0.00 0.00 19.45 19.21 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jh4 h LYS 82 N 3.46 0.00 -0.91 0.00 1.57 -1.90 -3.01 116.57 115.79 1jh4 h LYS 82 Ca -0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1jh4 h LYS 82 Cb 1.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 1jh4 h LYS 82 CO 0.34 0.00 0.09 0.39 -0.57 0.00 0.00 179.45 179.70 1jh4 n GLU 83 N -2.33 2.02 -0.81 3.15 4.71 -1.26 -4.78 120.64 121.34 1jh4 n GLU 83 Ca 0.03 -1.09 -0.32 0.00 -0.01 0.00 0.00 57.16 55.77 1jh4 n GLU 83 Cb 0.31 -1.63 0.16 0.00 -1.01 0.00 0.00 31.44 29.27 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jh4 s ALA 84 N -1.44 1.57 -2.00 0.62 0.00 -1.14 -4.88 121.76 114.49 1jh4 s ALA 84 Ca 0.20 0.65 0.17 0.00 0.00 0.00 0.00 51.96 52.98 1jh4 s ALA 84 Cb 0.16 -3.46 1.04 0.00 0.00 0.00 0.00 23.12 20.85 1jh4 s ALA 84 CO 0.05 -2.64 1.61 0.00 0.00 0.00 0.00 175.76 174.78 1jh4 n ALA 85 N -4.00 2.52 -1.67 0.00 0.00 -1.26 -4.74 120.51 111.36 1jh4 n ALA 85 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1jh4 n ALA 85 Cb 0.52 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1jh4 n ALA 85 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1jh4 n GLN 86 N -0.80 1.17 -2.69 0.00 7.27 -1.26 -4.97 117.38 116.10 1jh4 n GLN 86 Ca 0.13 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.77 1jh4 n GLN 86 Cb 0.06 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.69 1jh4 n GLN 86 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1jh4 s LYS 87 N -0.61 3.78 0.31 3.69 1.02 -1.26 -4.99 119.74 121.68 1jh4 s LYS 87 Ca 0.00 -1.72 -0.28 0.00 0.02 0.00 0.00 55.97 53.99 1jh4 s LYS 87 Cb 0.00 -5.29 -0.09 0.00 -0.52 0.00 0.00 37.83 31.93 1jh4 s LYS 87 CO 0.00 -2.08 1.07 0.00 -0.92 0.00 0.00 175.35 173.42 1jh4 s ALA 88 N 3.82 3.30 0.29 5.17 0.00 -1.26 -5.01 121.76 128.07 1jh4 s ALA 88 Ca 0.45 0.81 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 1jh4 s ALA 88 Cb -0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 1jh4 s ALA 88 CO -0.03 -0.14 1.02 0.08 0.00 0.00 0.00 175.76 176.69 1jh4 s VAL 89 N -1.32 3.79 0.58 0.00 1.01 -1.26 -5.06 120.40 118.14 1jh4 s VAL 89 Ca 0.48 1.69 0.00 0.00 0.00 0.00 0.00 61.98 64.16 1jh4 s VAL 89 Cb -0.28 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 32.10 1jh4 s VAL 89 CO 0.36 0.32 0.82 0.20 0.00 0.00 0.00 175.10 176.80 1jh4 s ASN 90 N -1.17 5.16 -0.67 3.32 -0.87 -1.26 -5.00 114.94 114.46 1jh4 s ASN 90 Ca 0.46 0.03 -0.26 0.00 -1.57 0.00 0.00 52.86 51.51 1jh4 s ASN 90 Cb -0.27 -0.85 -0.01 0.00 -0.02 0.00 0.00 41.25 40.10 1jh4 s ASN 90 CO 0.34 -1.24 1.71 -0.94 -2.57 0.00 0.00 177.10 174.39 1jh4 s SER 91 N -4.46 5.52 -0.75 -1.22 1.04 -1.26 -4.88 113.70 107.69 1jh4 s SER 91 Ca 0.58 0.04 -0.22 0.00 0.48 0.00 0.00 55.95 56.84 1jh4 s SER 91 Cb -0.10 -2.54 -0.16 0.00 0.10 0.00 0.00 66.02 63.32 1jh4 s SER 91 CO 0.40 -2.24 1.92 0.00 0.98 0.00 0.00 173.24 174.29 1jh4 n ALA 92 N 11.87 3.29 -0.10 5.32 0.00 -1.26 -4.44 120.51 135.19 1jh4 n ALA 92 Ca 0.17 -3.25 -0.16 0.00 0.00 0.00 0.00 53.44 50.21 1jh4 n ALA 92 Cb 0.51 -3.62 -0.06 0.00 0.00 0.00 0.00 19.45 16.28 1jh4 n ALA 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1jh4 n THR 93 N 5.96 1.49 -1.96 0.00 -1.04 -1.26 -4.56 114.28 112.92 1jh4 n THR 93 Ca 0.49 -0.01 -0.37 0.00 -2.04 0.00 0.00 64.05 62.13 1jh4 n THR 93 Cb 0.39 -2.18 -0.01 0.00 -1.82 0.00 0.00 70.33 66.71 1jh4 n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jh4 n GLY 94 N 1.44 5.17 3.49 3.41 0.00 -1.26 -4.93 105.19 112.51 1jh4 n GLY 94 Ca -0.26 -2.13 -0.40 0.00 0.00 0.00 0.00 46.02 43.22 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 -2.30 5.10 0.24 1.61 -7.23 -1.26 -5.07 120.40 111.49 1jh4 s VAL 95 Ca 0.53 -0.36 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 1jh4 s VAL 95 Cb 0.26 -3.66 -0.09 0.00 0.56 0.00 0.00 36.38 33.44 1jh4 s VAL 95 CO -0.16 -0.05 1.32 -2.16 -0.31 0.00 0.00 175.10 173.74 1jh4 s PRO 96 N 1.68 4.37 -0.06 4.82 0.04 -1.26 -5.03 135.00 139.57 1jh4 s PRO 96 Ca 0.05 2.12 -0.04 0.00 0.04 0.00 0.00 61.00 63.17 1jh4 s PRO 96 Cb -0.18 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1jh4 s PRO 96 CO 0.09 -0.24 0.16 0.95 0.04 0.00 0.00 177.00 178.00 1jh4 s THR 97 N -0.23 5.45 -0.69 1.26 -4.23 -1.26 -5.26 115.64 110.68 1jh4 s THR 97 Ca 0.55 -0.01 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1jh4 s THR 97 Cb -0.38 -3.47 0.04 0.00 1.34 0.00 0.00 72.50 70.04 1jh4 s THR 97 CO 0.42 0.45 0.67 1.33 -0.54 0.00 0.00 174.62 176.96