#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 0.00 -6.82 1.61 0.13 -2.13 -3.44 132.00 121.34 1jh4 h PRO 2 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 1jh4 h PRO 2 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1jh4 h PRO 2 CO 0.00 0.00 0.27 -1.17 -0.23 0.00 0.00 178.00 176.87 1jh4 s LEU 3 N -6.09 4.26 -0.57 1.56 0.20 -1.26 -5.02 118.68 111.77 1jh4 s LEU 3 Ca 0.01 1.68 -0.20 0.00 0.69 0.00 0.00 54.13 56.31 1jh4 s LEU 3 Cb 0.09 -3.99 0.08 0.00 -0.43 0.00 0.00 46.19 41.94 1jh4 s LEU 3 CO 0.53 -0.09 0.73 -0.83 -0.29 0.00 0.00 176.35 176.40 1jh4 s GLY 4 N -1.75 1.69 -0.28 7.98 0.00 -1.26 -5.03 107.32 108.67 1jh4 s GLY 4 Ca 0.50 -1.93 -0.25 0.00 0.00 0.00 0.00 44.72 43.04 1jh4 s GLY 4 CO 0.21 1.65 0.86 -0.45 0.00 0.00 0.00 173.10 175.36 1jh4 s SER 5 N 3.26 6.78 -0.63 1.64 0.15 -1.26 -4.96 113.70 118.69 1jh4 s SER 5 Ca 0.16 0.89 -0.30 0.00 0.70 0.00 0.00 55.95 57.40 1jh4 s SER 5 Cb -0.21 -2.44 -0.13 0.00 -1.71 0.00 0.00 66.02 61.53 1jh4 s SER 5 CO 0.10 -0.62 2.46 -2.65 1.20 0.00 0.00 173.24 173.73 1jh4 n PRO 6 N 6.23 0.71 -4.15 5.44 -0.02 -1.26 -4.92 135.00 137.03 1jh4 n PRO 6 Ca 0.06 0.06 -0.35 0.00 -2.02 0.00 0.00 63.50 61.26 1jh4 n PRO 6 Cb 0.48 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 1jh4 n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jh4 s LEU 7 N 10.12 3.69 -0.05 2.45 2.01 -1.26 -5.00 118.68 130.63 1jh4 s LEU 7 Ca 1.13 0.07 -0.06 0.00 0.01 0.00 0.00 54.13 55.28 1jh4 s LEU 7 Cb -0.68 -1.90 -0.28 0.00 0.01 0.00 0.00 46.19 43.34 1jh4 s LEU 7 CO 0.39 0.23 0.64 0.71 1.01 0.00 0.00 176.35 179.32 1jh4 h THR 8 N 4.74 0.90 0.10 5.49 1.35 -1.98 -2.95 112.91 120.56 1jh4 h THR 8 Ca -0.39 -2.55 -0.00 0.00 -0.55 0.00 0.00 66.41 62.91 1jh4 h THR 8 Cb 1.18 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 70.27 1jh4 h THR 8 CO 0.65 0.83 -0.05 0.00 -0.25 0.00 0.00 175.52 176.70 1jh4 h ALA 9 N 0.27 -1.00 -0.21 6.62 0.00 -2.01 -2.54 119.26 120.38 1jh4 h ALA 9 Ca -0.34 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1jh4 h ALA 9 Cb 2.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1jh4 h ALA 9 CO 0.14 -1.00 0.21 0.66 0.00 0.00 0.00 179.25 179.26 1jh4 h SER 10 N -0.14 0.00 -0.51 0.00 4.64 -1.97 -1.58 113.55 113.99 1jh4 h SER 10 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1jh4 h SER 10 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1jh4 h SER 10 CO 0.02 0.00 0.21 0.24 -0.87 0.00 0.00 176.83 176.43 1jh4 h MET 11 N 0.00 0.76 0.70 4.77 2.86 -1.33 0.57 114.93 123.27 1jh4 h MET 11 Ca 0.10 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1jh4 h MET 11 Cb 0.51 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1jh4 h MET 11 CO -0.00 0.67 -0.46 1.25 1.06 0.00 0.00 176.91 179.42 1jh4 h LEU 12 N 0.69 -1.19 -0.05 1.22 7.12 -0.86 -1.24 115.31 120.99 1jh4 h LEU 12 Ca 0.17 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1jh4 h LEU 12 Cb 0.19 0.35 0.00 0.00 -0.53 0.00 0.00 40.66 40.67 1jh4 h LEU 12 CO -0.02 -0.70 0.00 0.00 -0.13 0.00 0.00 178.44 177.60 1jh4 n ALA 13 N -2.70 2.06 0.09 1.25 0.00 -1.17 -2.58 120.51 117.46 1jh4 n ALA 13 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1jh4 n ALA 13 Cb 0.47 -1.00 0.28 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.46 3.40 -4.03 0.00 2.88 0.18 -4.93 113.62 110.66 1jh4 n SER 14 Ca 0.00 -1.98 -0.08 0.00 -1.33 0.00 0.00 58.87 55.47 1jh4 n SER 14 Cb 0.01 -0.37 -0.11 0.00 -0.75 0.00 0.00 64.21 62.99 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 -1.26 0.33 0.84 -1.46 0.00 -1.07 -5.03 121.76 114.11 1jh4 s ALA 15 Ca 0.42 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 1jh4 s ALA 15 Cb 0.23 0.19 -0.14 0.00 0.00 0.00 0.00 23.12 23.40 1jh4 s ALA 15 CO 0.30 -0.24 -1.12 -2.30 0.00 0.00 0.00 175.76 172.41 1jh4 n PRO 16 N 0.94 0.00 -0.01 0.00 -0.01 -1.26 -4.62 135.00 130.04 1jh4 n PRO 16 Ca -0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 63.50 63.26 1jh4 n PRO 16 Cb 0.58 -0.97 -0.02 0.00 -0.01 0.00 0.00 33.50 33.08 1jh4 n PRO 16 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 1jh4 h PRO 17 N -1.22 -0.10 0.00 0.52 0.11 -2.00 -1.89 132.00 127.42 1jh4 h PRO 17 Ca -0.28 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jh4 h PRO 17 Cb 1.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jh4 h PRO 17 CO 0.15 -0.07 0.00 0.00 -0.21 0.00 0.00 178.00 177.87 1jh4 n GLN 18 N -3.18 0.02 -0.94 1.05 0.00 -1.26 -3.26 117.38 109.80 1jh4 n GLN 18 Ca -0.01 0.18 -0.17 0.00 0.00 0.00 0.00 57.00 57.00 1jh4 n GLN 18 Cb 0.07 -1.53 0.02 0.00 0.00 0.00 0.00 30.24 28.81 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 -1.56 1.83 0.00 2.61 1.02 -0.71 -4.54 120.64 119.30 1jh4 n GLU 19 Ca 0.05 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.62 1jh4 n GLU 19 Cb 0.23 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.49 0.00 0.00 3.49 6.02 -1.20 -3.91 117.38 122.27 1jh4 n GLN 20 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 1jh4 n GLN 20 Cb 0.58 -0.70 0.00 0.00 1.02 0.00 0.00 30.24 31.13 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 -0.45 1.00 0.47 -1.09 4.76 -1.26 -4.20 118.16 117.39 1jh4 n LYS 21 Ca 0.00 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.25 1jh4 n LYS 21 Cb 0.00 -1.33 -0.09 0.00 -1.84 0.00 0.00 35.03 31.77 1jh4 n LYS 21 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1jh4 h GLN 22 N 0.00 -1.16 0.00 1.97 1.08 -1.75 -3.19 115.11 112.06 1jh4 h GLN 22 Ca 0.00 0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1jh4 h GLN 22 Cb 0.33 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1jh4 h GLN 22 CO 0.00 -0.77 0.00 -1.33 -0.95 0.00 0.00 178.83 175.78 1jh4 n MET 23 N -5.58 0.00 -0.44 1.46 2.81 -1.26 -4.05 117.12 110.06 1jh4 n MET 23 Ca -0.15 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.53 1jh4 n MET 23 Cb 0.48 -0.16 -0.04 0.00 -0.71 0.00 0.00 33.22 32.79 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 1.92 0.00 4.03 -0.00 -1.26 -4.89 117.00 116.79 1jh4 n LEU 24 Ca 0.00 -1.81 0.00 0.00 -0.00 0.00 0.00 56.01 54.20 1jh4 n LEU 24 Cb 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 43.42 42.70 1jh4 n LEU 24 CO 0.00 -0.87 0.00 0.61 -0.00 0.00 0.00 177.39 177.13 1jh4 n GLY 25 N 4.24 0.54 0.00 1.47 0.00 -1.20 -4.31 105.19 105.93 1jh4 n GLY 25 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.62 0.00 -0.14 1.61 -0.00 -1.26 -4.32 120.64 119.16 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 -0.29 0.00 0.00 -0.00 0.00 0.00 31.44 31.15 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 -0.14 0.00 -0.03 3.44 3.00 -1.26 -4.84 116.66 116.83 1jh4 n ARG 27 Ca 0.00 -0.64 -0.15 0.00 -0.00 0.00 0.00 57.85 57.06 1jh4 n ARG 27 Cb 0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.84 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 0.18 -0.80 6.15 3.38 -1.90 -3.21 115.31 119.12 1jh4 h LEU 28 Ca 0.00 -0.82 0.19 0.00 0.09 0.00 0.00 57.88 57.34 1jh4 h LEU 28 Cb 1.11 -0.06 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 1jh4 h LEU 28 CO 0.00 0.99 0.05 0.15 0.09 0.00 0.00 178.44 179.72 1jh4 h PHE 29 N -0.59 0.03 -0.41 1.13 3.57 -1.80 0.42 116.94 119.29 1jh4 h PHE 29 Ca -0.03 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1jh4 h PHE 29 Cb 1.03 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 1jh4 h PHE 29 CO 0.20 -0.24 0.22 -1.35 -2.23 0.00 0.00 178.31 174.90 1jh4 h PRO 30 N 0.12 0.43 -0.10 6.41 0.11 -1.88 0.76 132.00 137.85 1jh4 h PRO 30 Ca 0.45 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.50 1jh4 h PRO 30 Cb 0.82 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 1jh4 h PRO 30 CO -0.68 0.28 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.25 1jh4 h LEU 31 N 0.44 0.24 -0.66 2.35 3.38 -0.92 -3.07 115.31 117.07 1jh4 h LEU 31 Ca 0.17 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1jh4 h LEU 31 Cb 0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1jh4 h LEU 31 CO -0.10 0.64 -0.17 -0.29 0.09 0.00 0.00 178.44 178.61 1jh4 h ILE 32 N -0.16 1.27 -0.93 1.22 -0.00 -0.19 -2.21 117.51 116.50 1jh4 h ILE 32 Ca 0.02 -1.29 0.27 0.00 -0.00 0.00 0.00 64.86 63.86 1jh4 h ILE 32 Cb 0.56 1.09 -0.15 0.00 -0.00 0.00 0.00 36.82 38.33 1jh4 h ILE 32 CO 0.02 0.44 0.37 -0.61 -0.00 0.00 0.00 178.15 178.37 1jh4 h GLN 33 N 0.77 0.25 -0.63 2.19 -0.00 0.58 2.07 115.11 120.34 1jh4 h GLN 33 Ca 0.11 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.81 1jh4 h GLN 33 Cb 0.69 -0.06 -0.04 0.00 0.00 0.00 0.00 27.48 28.08 1jh4 h GLN 33 CO 0.05 0.17 0.42 0.00 0.00 0.00 0.00 178.83 179.46 1jh4 h ALA 34 N 1.81 1.79 0.00 3.38 0.00 -1.30 -3.25 119.26 121.69 1jh4 h ALA 34 Ca 0.63 -0.02 -0.42 0.00 0.00 0.00 0.00 54.91 55.10 1jh4 h ALA 34 Cb 1.34 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1jh4 h ALA 34 CO -0.64 0.11 -2.33 -1.33 0.00 0.00 0.00 179.25 175.05 1jh4 n MET 35 N -4.48 0.58 -3.60 0.00 2.81 0.34 -5.03 117.12 107.75 1jh4 n MET 35 Ca 0.09 0.30 -0.20 0.00 -1.81 0.00 0.00 57.70 56.07 1jh4 n MET 35 Cb 0.24 -1.52 0.06 0.00 -0.71 0.00 0.00 33.22 31.28 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 -2.11 0.00 2.03 8.25 0.62 -4.96 115.22 114.76 1jh4 n HIS 36 Ca -0.50 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 1jh4 n HIS 36 Cb 0.85 -4.68 0.00 0.00 1.12 0.00 0.00 29.99 27.27 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 -4.29 0.00 -0.07 -0.41 -0.04 -1.26 -4.71 135.00 124.22 1jh4 n PRO 37 Ca -0.25 0.38 -0.06 0.00 -0.04 0.00 0.00 63.50 63.53 1jh4 n PRO 37 Cb 0.66 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.64 1.23 -3.15 0.52 -2.24 -1.26 -5.03 114.28 102.71 1jh4 n THR 38 Ca 0.00 0.23 0.05 0.00 -2.27 0.00 0.00 64.05 62.06 1jh4 n THR 38 Cb 0.00 -2.23 -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 -0.86 0.21 3.22 1.43 -1.26 -5.05 118.68 108.83 1jh4 s LEU 39 Ca -0.19 0.50 -0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1jh4 s LEU 39 Cb 0.03 1.71 0.30 0.00 0.03 0.00 0.00 46.19 48.25 1jh4 s LEU 39 CO 0.28 -0.16 1.69 0.00 0.23 0.00 0.00 176.35 178.39 1jh4 h ALA 40 N 7.96 0.68 0.32 4.21 0.00 -1.91 0.44 119.26 130.96 1jh4 h ALA 40 Ca -0.16 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jh4 h ALA 40 Cb 1.17 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1jh4 h ALA 40 CO 0.05 -0.34 -0.20 0.78 0.00 0.00 0.00 179.25 179.55 1jh4 h GLY 41 N 0.22 -0.72 1.11 0.00 0.00 -1.97 -2.55 103.07 99.16 1jh4 h GLY 41 Ca 0.32 0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.89 1jh4 h GLY 41 CO -0.44 -0.25 0.23 0.50 0.00 0.00 0.00 176.54 176.58 1jh4 h LYS 42 N -0.48 1.11 -0.80 4.80 1.57 -1.97 -2.98 116.57 117.82 1jh4 h LYS 42 Ca -0.04 -0.23 0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1jh4 h LYS 42 Cb 0.39 -0.17 -0.08 0.00 0.08 0.00 0.00 32.23 32.45 1jh4 h LYS 42 CO 0.04 0.94 0.43 0.97 -0.57 0.00 0.00 179.45 181.26 1jh4 h ILE 43 N 1.07 0.84 -0.72 1.86 2.10 -0.16 -1.87 117.51 120.63 1jh4 h ILE 43 Ca 0.24 -0.24 0.15 0.00 1.08 0.00 0.00 64.86 66.08 1jh4 h ILE 43 Cb 0.29 0.09 -0.10 0.00 -1.09 0.00 0.00 36.82 36.00 1jh4 h ILE 43 CO -0.01 0.13 0.22 0.74 -1.08 0.00 0.00 178.15 178.15 1jh4 h THR 44 N 0.70 0.59 -0.88 2.19 2.02 -1.29 0.76 112.91 116.99 1jh4 h THR 44 Ca 0.40 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.53 1jh4 h THR 44 Cb 0.44 0.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1jh4 h THR 44 CO -0.28 0.06 0.57 1.23 0.37 0.00 0.00 175.52 177.47 1jh4 h GLY 45 N 0.34 1.27 0.72 2.16 0.00 -1.44 0.85 103.07 106.97 1jh4 h GLY 45 Ca 0.40 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1jh4 h GLY 45 CO -0.45 0.31 -0.34 -0.33 0.00 0.00 0.00 176.54 175.72 1jh4 h MET 46 N 1.01 -0.92 -0.01 4.80 2.07 -0.86 -2.77 114.93 118.25 1jh4 h MET 46 Ca 0.37 0.06 0.00 0.00 -2.07 0.00 0.00 59.70 58.07 1jh4 h MET 46 Cb 0.17 0.21 -0.00 0.00 -1.87 0.00 0.00 31.60 30.11 1jh4 h MET 46 CO -0.13 -0.61 0.10 -0.07 1.07 0.00 0.00 176.91 177.27 1jh4 h LEU 47 N -1.25 0.00 -0.87 1.22 -0.00 -1.12 -2.68 115.31 110.61 1jh4 h LEU 47 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.78 1jh4 h LEU 47 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1jh4 h LEU 47 CO 0.16 0.00 0.00 -0.11 -0.00 0.00 0.00 178.44 178.49 1jh4 n LEU 48 N -3.10 0.06 0.02 1.67 7.94 0.28 -3.10 117.00 120.77 1jh4 n LEU 48 Ca -0.02 -0.03 0.10 0.00 -1.11 0.00 0.00 56.01 54.95 1jh4 n LEU 48 Cb 0.16 -0.03 0.45 0.00 0.53 0.00 0.00 43.42 44.54 1jh4 n LEU 48 CO 0.19 0.01 0.84 1.21 -1.11 0.00 0.00 177.39 178.53 1jh4 n GLU 49 N 0.34 0.03 -3.75 1.96 0.00 -1.01 -4.81 120.64 113.40 1jh4 n GLU 49 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 57.16 57.09 1jh4 n GLU 49 Cb 0.01 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 29.88 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 -3.03 2.16 0.31 6.31 2.07 -1.18 -5.11 121.20 122.73 1jh4 s ILE 50 Ca 0.10 -1.44 -0.28 0.00 -1.41 0.00 0.00 60.65 57.62 1jh4 s ILE 50 Cb 0.13 -2.59 -0.09 0.00 0.13 0.00 0.00 42.46 40.04 1jh4 s ILE 50 CO 0.40 0.00 1.09 -1.81 -1.91 0.00 0.00 174.94 172.70 1jh4 s ASP 51 N -4.19 7.12 0.59 4.50 1.11 -1.26 -4.90 116.67 119.64 1jh4 s ASP 51 Ca 0.42 2.21 0.30 0.00 0.18 0.00 0.00 52.55 55.66 1jh4 s ASP 51 Cb -0.02 -2.62 1.30 0.00 1.07 0.00 0.00 42.92 42.65 1jh4 s ASP 51 CO 0.25 -0.24 1.65 -1.13 1.18 0.00 0.00 175.17 176.87 1jh4 h ASN 52 N 3.45 0.00 0.64 0.27 -0.73 -1.99 0.67 115.58 117.88 1jh4 h ASN 52 Ca -0.47 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 57.55 1jh4 h ASN 52 Cb 1.21 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.78 1jh4 h ASN 52 CO 0.66 0.00 -0.68 0.28 -0.37 0.00 0.00 177.43 177.32 1jh4 h SER 53 N 0.00 0.04 0.00 1.15 0.02 -2.00 -2.97 113.55 109.79 1jh4 h SER 53 Ca 0.40 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 1jh4 h SER 53 Cb 2.10 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 64.63 1jh4 h SER 53 CO -0.00 0.70 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.94 1jh4 h GLU 54 N 0.02 0.08 -0.07 3.45 4.39 -0.02 -3.15 114.58 119.28 1jh4 h GLU 54 Ca -0.01 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1jh4 h GLU 54 Cb 1.20 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1jh4 h GLU 54 CO 0.09 0.87 0.08 -0.07 -1.16 0.00 0.00 179.01 178.82 1jh4 h LEU 55 N -0.68 0.00 -0.16 1.33 3.38 -1.59 -1.29 115.31 116.29 1jh4 h LEU 55 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1jh4 h LEU 55 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1jh4 h LEU 55 CO 0.02 0.00 -0.04 -0.07 0.09 0.00 0.00 178.44 178.44 1jh4 h LEU 56 N 0.00 0.32 -1.85 1.67 4.07 -1.53 -2.36 115.31 115.63 1jh4 h LEU 56 Ca 0.03 -0.37 0.10 0.00 0.08 0.00 0.00 57.88 57.72 1jh4 h LEU 56 Cb 0.19 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1jh4 h LEU 56 CO -0.00 0.62 0.32 0.45 -1.08 0.00 0.00 178.44 178.75 1jh4 h HIS 57 N 0.02 0.18 -0.16 1.13 3.86 -1.19 -0.93 115.15 118.06 1jh4 h HIS 57 Ca 0.04 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.06 1jh4 h HIS 57 Cb 0.48 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.90 1jh4 h HIS 57 CO 0.05 0.09 -0.68 0.52 0.86 0.00 0.00 177.93 178.78 1jh4 h MET 58 N 0.17 0.73 0.00 2.45 2.86 -1.31 -2.10 114.93 117.74 1jh4 h MET 58 Ca 0.21 -0.58 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1jh4 h MET 58 Cb 0.61 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 1jh4 h MET 58 CO -0.03 1.19 -0.04 1.25 1.06 0.00 0.00 176.91 180.34 1jh4 h LEU 59 N 0.44 0.00 -0.46 1.22 6.46 -0.65 -0.31 115.31 122.01 1jh4 h LEU 59 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1jh4 h LEU 59 Cb 1.31 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1jh4 h LEU 59 CO 0.14 0.04 -0.51 -1.84 -0.62 0.00 0.00 178.44 175.66 1jh4 n GLU 60 N -4.35 0.64 -3.45 1.25 0.28 -0.97 -4.72 120.64 109.32 1jh4 n GLU 60 Ca -0.03 -0.46 -0.23 0.00 -0.16 0.00 0.00 57.16 56.28 1jh4 n GLU 60 Cb 0.13 -1.49 -0.11 0.00 1.43 0.00 0.00 31.44 31.39 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1jh4 s SER 61 N -2.68 2.38 0.63 -1.84 0.01 -0.13 -5.00 113.70 107.07 1jh4 s SER 61 Ca 0.17 -1.25 0.27 0.00 1.31 0.00 0.00 55.95 56.45 1jh4 s SER 61 Cb 0.18 0.11 1.43 0.00 0.21 0.00 0.00 66.02 67.95 1jh4 s SER 61 CO 0.63 -0.38 1.83 -0.65 0.41 0.00 0.00 173.24 175.09 1jh4 h PRO 62 N 7.96 0.00 0.90 12.44 0.11 -1.83 -2.24 132.00 149.33 1jh4 h PRO 62 Ca -0.10 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 1jh4 h PRO 62 Cb 1.04 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.15 1jh4 h PRO 62 CO 0.34 0.00 -0.46 1.05 -0.21 0.00 0.00 178.00 178.72 1jh4 h GLU 63 N 0.00 -1.20 -0.17 1.05 -0.00 -1.95 0.00 114.58 112.32 1jh4 h GLU 63 Ca 0.12 0.08 -0.13 0.00 -0.00 0.00 0.00 59.36 59.43 1jh4 h GLU 63 Cb 1.08 0.27 -0.01 0.00 -0.00 0.00 0.00 28.75 30.09 1jh4 h GLU 63 CO -0.00 -0.80 -0.45 1.03 -0.00 0.00 0.00 179.01 178.79 1jh4 h SER 64 N -1.25 0.44 0.60 3.06 0.87 -1.75 -3.09 113.55 112.43 1jh4 h SER 64 Ca -0.12 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.21 1jh4 h SER 64 Cb 0.97 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1jh4 h SER 64 CO 0.18 0.83 -0.47 0.25 -0.53 0.00 0.00 176.83 177.10 1jh4 h LEU 65 N 0.33 -1.23 -2.00 2.23 7.12 -1.30 -1.47 115.31 118.99 1jh4 h LEU 65 Ca 0.02 0.09 0.18 0.00 0.13 0.00 0.00 57.88 58.30 1jh4 h LEU 65 Cb 0.92 0.39 -0.03 0.00 -0.53 0.00 0.00 40.66 41.41 1jh4 h LEU 65 CO 0.08 -0.67 0.45 -0.09 -0.13 0.00 0.00 178.44 178.08 1jh4 h ARG 66 N -1.04 0.00 -0.40 1.25 2.43 -1.02 -0.70 114.38 114.89 1jh4 h ARG 66 Ca -0.07 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1jh4 h ARG 66 Cb 0.87 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 1jh4 h ARG 66 CO 0.01 0.00 0.17 1.03 -1.51 0.00 0.00 179.97 179.68 1jh4 h SER 67 N 0.00 0.23 0.02 -3.80 0.87 -1.19 0.19 113.55 109.87 1jh4 h SER 67 Ca 0.30 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1jh4 h SER 67 Cb 1.20 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1jh4 h SER 67 CO -0.00 0.17 -0.35 0.11 -0.53 0.00 0.00 176.83 176.23 1jh4 h LYS 68 N 0.36 0.20 0.22 2.24 1.57 -0.92 -3.08 116.57 117.17 1jh4 h LYS 68 Ca 0.18 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1jh4 h LYS 68 Cb 0.12 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1jh4 h LYS 68 CO -0.15 1.01 -0.24 0.28 -0.57 0.00 0.00 179.45 179.78 1jh4 h VAL 69 N -0.50 0.49 -0.22 0.50 2.07 -1.30 -0.67 116.25 116.62 1jh4 h VAL 69 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.52 1jh4 h VAL 69 Cb 1.15 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 1jh4 h VAL 69 CO 0.07 0.00 -0.43 -0.78 0.02 0.00 0.00 177.57 176.45 1jh4 h ASP 70 N -0.50 -1.37 0.25 0.57 1.82 -0.76 0.14 116.42 116.58 1jh4 h ASP 70 Ca -0.00 0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1jh4 h ASP 70 Cb 0.47 0.57 -0.04 0.00 0.68 0.00 0.00 39.33 41.01 1jh4 h ASP 70 CO -0.06 -0.41 -0.50 -0.33 -1.61 0.00 0.00 179.24 176.33 1jh4 h GLU 71 N -0.44 -0.79 -0.81 0.28 4.39 -1.42 -2.16 114.58 113.62 1jh4 h GLU 71 Ca 0.09 0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.02 1jh4 h GLU 71 Cb 0.61 0.18 -0.11 0.00 -0.10 0.00 0.00 28.75 29.33 1jh4 h GLU 71 CO -0.46 -0.53 0.31 0.00 -1.16 0.00 0.00 179.01 177.18 1jh4 h ALA 72 N -0.56 1.18 -0.90 3.43 0.00 -0.75 0.49 119.26 122.15 1jh4 h ALA 72 Ca -0.02 0.14 0.23 0.00 0.00 0.00 0.00 54.91 55.26 1jh4 h ALA 72 Cb 0.78 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1jh4 h ALA 72 CO -0.20 -0.28 0.62 0.28 0.00 0.00 0.00 179.25 179.67 1jh4 h VAL 73 N 0.40 0.62 0.29 0.00 2.07 -0.07 1.10 116.25 120.66 1jh4 h VAL 73 Ca 0.47 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.89 1jh4 h VAL 73 Cb 0.80 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1jh4 h VAL 73 CO -0.47 0.05 -0.14 0.00 0.02 0.00 0.00 177.57 177.02 1jh4 h ALA 74 N 1.59 -0.40 0.79 1.67 0.00 0.20 -2.73 119.26 120.38 1jh4 h ALA 74 Ca 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1jh4 h ALA 74 Cb 1.39 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.34 1jh4 h ALA 74 CO -0.12 -0.37 -0.38 0.28 0.00 0.00 0.00 179.25 178.66 1jh4 h VAL 75 N -1.08 0.00 0.02 0.00 2.07 -0.61 -2.03 116.25 114.62 1jh4 h VAL 75 Ca -0.04 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1jh4 h VAL 75 Cb 0.30 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1jh4 h VAL 75 CO 0.07 0.00 -0.53 0.25 0.02 0.00 0.00 177.57 177.38 1jh4 h LEU 76 N -1.10 -1.62 -1.94 2.57 5.85 0.10 1.24 115.31 120.42 1jh4 h LEU 76 Ca -0.11 0.18 0.27 0.00 0.84 0.00 0.00 57.88 59.06 1jh4 h LEU 76 Cb 0.81 0.61 -0.04 0.00 0.37 0.00 0.00 40.66 42.41 1jh4 h LEU 76 CO 0.18 -0.52 0.68 -0.61 -0.34 0.00 0.00 178.44 177.82 1jh4 h GLN 77 N -0.68 0.04 0.00 1.25 4.15 -1.53 0.92 115.11 119.27 1jh4 h GLN 77 Ca 0.01 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1jh4 h GLN 77 Cb 0.72 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.39 1jh4 h GLN 77 CO -0.34 0.03 -0.11 0.00 -1.93 0.00 0.00 178.83 176.48 1jh4 h ALA 78 N 1.54 0.02 0.00 3.38 0.00 -0.08 -3.32 119.26 120.79 1jh4 h ALA 78 Ca 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jh4 h ALA 78 Cb 1.76 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1jh4 h ALA 78 CO -0.03 0.07 0.00 0.72 0.00 0.00 0.00 179.25 180.01 1jh4 n HIS 79 N -4.66 0.08 1.64 0.00 8.25 0.40 -2.23 115.22 118.70 1jh4 n HIS 79 Ca -0.08 0.03 0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1jh4 n HIS 79 Cb 0.30 -0.55 0.12 0.00 1.12 0.00 0.00 29.99 30.99 1jh4 n HIS 79 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1jh4 n GLN 80 N -1.57 1.27 -0.99 -0.41 1.13 0.31 -3.82 117.38 113.31 1jh4 n GLN 80 Ca 0.03 -0.42 -0.17 0.00 -1.94 0.00 0.00 57.00 54.49 1jh4 n GLN 80 Cb 0.16 -1.13 0.17 0.00 0.11 0.00 0.00 30.24 29.55 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 -0.19 4.92 -2.21 -1.58 0.00 -0.95 -4.96 120.51 115.55 1jh4 n ALA 81 Ca 0.06 -2.31 -0.42 0.00 0.00 0.00 0.00 53.44 50.77 1jh4 n ALA 81 Cb 0.11 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.19 1jh4 n ALA 81 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1jh4 s LYS 82 N -2.69 4.33 -0.08 0.00 2.36 -1.25 -4.89 119.74 117.52 1jh4 s LYS 82 Ca 0.47 2.03 -0.00 0.00 -2.55 0.00 0.00 55.97 55.91 1jh4 s LYS 82 Cb 0.39 -3.30 0.04 0.00 -1.05 0.00 0.00 37.83 33.91 1jh4 s LYS 82 CO 0.09 -0.43 2.07 0.39 1.55 0.00 0.00 175.35 179.02 1jh4 n GLU 83 N 4.10 1.23 -2.55 4.03 1.02 -1.26 -4.85 120.64 122.36 1jh4 n GLU 83 Ca 0.11 -0.41 -0.41 0.00 -0.02 0.00 0.00 57.16 56.43 1jh4 n GLU 83 Cb 0.43 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.64 1jh4 n GLU 83 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jh4 s ALA 84 N -0.39 2.75 -0.78 0.62 0.00 -1.26 -4.94 121.76 117.75 1jh4 s ALA 84 Ca 0.10 -1.41 -0.25 0.00 0.00 0.00 0.00 51.96 50.39 1jh4 s ALA 84 Cb 0.07 -4.27 -0.06 0.00 0.00 0.00 0.00 23.12 18.86 1jh4 s ALA 84 CO -0.00 -3.30 2.04 0.00 0.00 0.00 0.00 175.76 174.50 1jh4 s ALA 85 N 5.70 1.62 0.09 0.00 0.00 -1.26 -4.76 121.76 123.15 1jh4 s ALA 85 Ca 0.35 -1.07 0.11 0.00 0.00 0.00 0.00 51.96 51.36 1jh4 s ALA 85 Cb -0.08 -4.48 0.11 0.00 0.00 0.00 0.00 23.12 18.66 1jh4 s ALA 85 CO 0.14 -4.76 1.45 0.37 0.00 0.00 0.00 175.76 172.96 1jh4 h GLN 86 N 13.04 0.00 -2.76 0.00 4.15 -1.98 -3.34 115.11 124.22 1jh4 h GLN 86 Ca -0.03 0.00 -0.78 0.00 0.77 0.00 0.00 58.65 58.61 1jh4 h GLN 86 Cb 1.06 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.55 1jh4 h GLN 86 CO 1.17 0.71 1.65 1.63 -1.93 0.00 0.00 178.83 182.06 1jh4 n LYS 87 N -3.44 4.61 0.00 1.69 5.02 -1.26 -4.66 118.16 120.12 1jh4 n LYS 87 Ca 0.00 -4.02 0.14 0.00 -2.02 0.00 0.00 58.31 52.42 1jh4 n LYS 87 Cb 0.76 -2.62 0.69 0.00 -0.02 0.00 0.00 35.03 33.84 1jh4 n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jh4 n ALA 88 N 1.60 2.47 -2.06 7.82 0.00 -1.26 -4.85 120.51 124.24 1jh4 n ALA 88 Ca 0.46 -0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.60 1jh4 n ALA 88 Cb 0.29 -1.47 0.13 0.00 0.00 0.00 0.00 19.45 18.40 1jh4 n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jh4 n VAL 89 N -1.34 0.00 -0.94 0.00 0.24 -1.26 -4.98 118.33 110.05 1jh4 n VAL 89 Ca 0.12 -0.94 -0.22 0.00 -2.04 0.00 0.00 64.34 61.26 1jh4 n VAL 89 Cb 0.28 -1.35 0.14 0.00 -1.47 0.00 0.00 33.84 31.44 1jh4 n VAL 89 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1jh4 n ASN 90 N -3.33 4.14 0.04 -1.34 2.85 -1.26 -4.27 115.26 112.10 1jh4 n ASN 90 Ca 0.13 -3.40 -0.03 0.00 -0.11 0.00 0.00 54.58 51.16 1jh4 n ASN 90 Cb 0.44 -0.82 -0.09 0.00 1.24 0.00 0.00 39.78 40.55 1jh4 n ASN 90 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1jh4 h SER 91 N 0.99 0.00 0.92 1.20 0.87 -1.93 -3.30 113.55 112.30 1jh4 h SER 91 Ca 0.54 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1jh4 h SER 91 Cb 2.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.32 1jh4 h SER 91 CO 1.00 0.76 -0.08 0.00 -0.53 0.00 0.00 176.83 177.97 1jh4 n ALA 92 N -2.40 2.53 -2.75 6.23 0.00 -1.26 -3.98 120.51 118.87 1jh4 n ALA 92 Ca -0.08 -0.14 -0.30 0.00 0.00 0.00 0.00 53.44 52.92 1jh4 n ALA 92 Cb 0.90 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.51 3.48 -3.26 0.00 -1.04 -1.24 -5.05 114.28 105.65 1jh4 n THR 93 Ca 0.07 -5.47 -0.39 0.00 -2.04 0.00 0.00 64.05 56.22 1jh4 n THR 93 Cb 0.34 -1.39 -0.06 0.00 -1.82 0.00 0.00 70.33 67.40 1jh4 n THR 93 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1jh4 s GLY 94 N -3.02 2.67 -0.18 3.41 0.00 -1.26 -5.04 107.32 103.91 1jh4 s GLY 94 Ca 0.47 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 45.12 1jh4 s GLY 94 CO -0.16 0.51 0.21 0.54 0.00 0.00 0.00 173.10 174.19 1jh4 s VAL 95 N -0.99 5.36 0.50 1.40 0.11 -1.26 -5.10 120.40 120.43 1jh4 s VAL 95 Ca 0.29 0.36 -0.08 0.00 -2.93 0.00 0.00 61.98 59.62 1jh4 s VAL 95 Cb -0.19 -3.54 0.13 0.00 -1.53 0.00 0.00 36.38 31.24 1jh4 s VAL 95 CO 0.19 0.43 0.36 -0.81 -3.33 0.00 0.00 175.10 171.93 1jh4 n PRO 96 N 3.46 -2.44 -3.20 1.54 -0.04 -1.26 -4.92 135.00 128.14 1jh4 n PRO 96 Ca -0.14 -0.59 -0.45 0.00 -0.04 0.00 0.00 63.50 62.28 1jh4 n PRO 96 Cb 0.52 -0.65 0.00 0.00 -0.04 0.00 0.00 33.50 33.33 1jh4 n PRO 96 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jh4 n THR 97 N -3.71 4.52 -0.57 0.52 -2.24 -1.26 -5.34 114.28 106.20 1jh4 n THR 97 Ca 0.05 -5.22 0.00 0.00 -2.27 0.00 0.00 64.05 56.62 1jh4 n THR 97 Cb 0.22 -2.53 0.00 0.00 -2.10 0.00 0.00 70.33 65.92 1jh4 n THR 97 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83