#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 0.70 -0.61 1.61 0.13 -2.07 -2.95 132.00 128.82 1jh4 h PRO 2 Ca 0.00 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1jh4 h PRO 2 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1jh4 h PRO 2 CO 0.00 1.01 0.00 1.28 -0.23 0.00 0.00 178.00 180.06 1jh4 n LEU 3 N -4.02 3.24 0.06 1.56 4.77 -1.26 -4.21 117.00 117.15 1jh4 n LEU 3 Ca -0.02 -1.64 -0.20 0.00 -0.03 0.00 0.00 56.01 54.11 1jh4 n LEU 3 Cb 0.56 -0.47 -0.14 0.00 -2.33 0.00 0.00 43.42 41.04 1jh4 n LEU 3 CO 0.47 0.55 0.04 1.23 -1.33 0.00 0.00 177.39 178.35 1jh4 h GLY 4 N 4.69 0.45 -2.69 -0.72 0.00 -2.05 -3.46 103.07 99.29 1jh4 h GLY 4 Ca 0.00 -1.04 -0.50 0.00 0.00 0.00 0.00 47.33 45.79 1jh4 h GLY 4 CO 0.16 0.91 0.46 -0.45 0.00 0.00 0.00 176.54 177.63 1jh4 s SER 5 N -7.07 6.29 0.62 0.19 0.15 -1.26 -4.97 113.70 107.64 1jh4 s SER 5 Ca -0.12 2.23 -0.18 0.00 0.70 0.00 0.00 55.95 58.58 1jh4 s SER 5 Cb 0.02 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.67 1jh4 s SER 5 CO 0.86 -0.83 0.60 -2.65 1.20 0.00 0.00 173.24 172.42 1jh4 n PRO 6 N -0.44 0.52 -3.18 5.44 -0.02 -1.26 -4.95 135.00 131.10 1jh4 n PRO 6 Ca 0.07 0.21 -0.39 0.00 -2.02 0.00 0.00 63.50 61.37 1jh4 n PRO 6 Cb 0.49 -1.82 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.04 4.37 -0.02 2.45 1.98 -1.26 -4.97 118.68 121.19 1jh4 s LEU 7 Ca 0.69 1.12 0.03 0.00 -2.89 0.00 0.00 54.13 53.08 1jh4 s LEU 7 Cb -0.41 -2.93 -0.25 0.00 0.66 0.00 0.00 46.19 43.26 1jh4 s LEU 7 CO 0.54 0.03 0.76 0.71 -1.89 0.00 0.00 176.35 176.50 1jh4 h THR 8 N 4.37 1.02 0.08 3.68 1.35 -1.98 -2.99 112.91 118.44 1jh4 h THR 8 Ca -0.44 -2.76 -0.00 0.00 -0.55 0.00 0.00 66.41 62.66 1jh4 h THR 8 Cb 1.20 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1jh4 h THR 8 CO 0.72 0.73 -0.04 0.00 -0.25 0.00 0.00 175.52 176.67 1jh4 h ALA 9 N 0.67 -0.99 -0.20 6.62 0.00 -2.00 -1.88 119.26 121.48 1jh4 h ALA 9 Ca -0.26 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1jh4 h ALA 9 Cb 1.99 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1jh4 h ALA 9 CO 0.12 -0.98 0.18 0.66 0.00 0.00 0.00 179.25 179.23 1jh4 h SER 10 N -0.11 0.00 -0.20 0.00 4.64 -1.95 -1.44 113.55 114.49 1jh4 h SER 10 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1jh4 h SER 10 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1jh4 h SER 10 CO 0.02 0.00 0.09 0.24 -0.87 0.00 0.00 176.83 176.31 1jh4 h MET 11 N 0.00 0.29 0.82 4.77 2.86 -1.35 0.19 114.93 122.51 1jh4 h MET 11 Ca 0.09 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1jh4 h MET 11 Cb 0.46 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1jh4 h MET 11 CO -0.00 0.33 -0.39 1.25 1.06 0.00 0.00 176.91 179.15 1jh4 h LEU 12 N 0.19 -0.93 -0.50 1.22 7.12 -0.44 -2.58 115.31 119.38 1jh4 h LEU 12 Ca 0.07 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1jh4 h LEU 12 Cb 0.14 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1jh4 h LEU 12 CO -0.01 -0.58 0.00 0.00 -0.13 0.00 0.00 178.44 177.72 1jh4 n ALA 13 N -2.67 1.93 0.03 1.25 0.00 -0.88 -2.81 120.51 117.36 1jh4 n ALA 13 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1jh4 n ALA 13 Cb 0.44 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 1jh4 n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jh4 h SER 14 N 0.23 0.46 -2.13 0.00 0.87 -0.19 -3.41 113.55 109.38 1jh4 h SER 14 Ca 0.00 -0.88 -0.56 0.00 -1.23 0.00 0.00 61.79 59.11 1jh4 h SER 14 Cb 0.14 -0.15 -0.41 0.00 -0.44 0.00 0.00 62.40 61.54 1jh4 h SER 14 CO 0.00 1.78 -0.85 0.00 -0.53 0.00 0.00 176.83 177.22 1jh4 n ALA 15 N -2.92 3.41 -0.33 6.23 0.00 -1.13 -4.97 120.51 120.80 1jh4 n ALA 15 Ca -0.28 -4.15 0.07 0.00 0.00 0.00 0.00 53.44 49.08 1jh4 n ALA 15 Cb 1.06 -0.84 0.17 0.00 0.00 0.00 0.00 19.45 19.83 1jh4 n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jh4 h PRO 16 N 3.60 0.01 0.00 0.00 0.10 -1.81 -2.09 132.00 131.81 1jh4 h PRO 16 Ca 0.13 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.23 1jh4 h PRO 16 Cb 0.74 -0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.83 1jh4 h PRO 16 CO 0.67 0.01 0.00 -2.30 0.10 0.00 0.00 178.00 176.48 1jh4 n PRO 17 N -5.54 2.20 0.28 1.05 -0.02 -1.26 -4.22 135.00 127.49 1jh4 n PRO 17 Ca 0.16 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1jh4 n PRO 17 Cb 0.53 0.00 0.68 0.00 -0.02 0.00 0.00 33.50 34.70 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 -1.40 -0.52 -0.00 -2.05 -0.93 115.11 110.21 1jh4 h GLN 18 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.45 1jh4 h GLN 18 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 27.38 1jh4 h GLN 18 CO 0.00 0.00 0.26 0.39 -0.00 0.00 0.00 178.83 179.48 1jh4 n GLU 19 N -2.64 1.50 0.00 0.06 4.71 -1.24 -4.46 120.64 118.56 1jh4 n GLU 19 Ca -0.02 -1.05 0.00 0.00 -0.01 0.00 0.00 57.16 56.09 1jh4 n GLU 19 Cb 0.35 -1.41 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 1jh4 n GLU 19 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jh4 n GLN 20 N 0.40 0.00 0.00 3.49 10.64 -0.36 -4.09 117.38 127.46 1jh4 n GLN 20 Ca 0.20 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 1jh4 n GLN 20 Cb 0.69 -0.32 0.00 0.00 -0.86 0.00 0.00 30.24 29.74 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 -0.07 0.99 0.01 2.61 4.76 -1.26 -4.32 118.16 120.88 1jh4 n LYS 21 Ca 0.00 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1jh4 n LYS 21 Cb 0.00 -1.30 -0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 0.00 -0.03 0.00 1.97 4.15 -1.75 -3.08 115.11 116.38 1jh4 h GLN 22 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1jh4 h GLN 22 Cb 0.30 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1jh4 h GLN 22 CO 0.00 -0.02 0.00 -1.33 -1.93 0.00 0.00 178.83 175.55 1jh4 n MET 23 N -2.09 0.00 -0.13 1.69 2.81 -1.26 -3.05 117.12 115.09 1jh4 n MET 23 Ca -0.00 0.02 -0.02 0.00 -1.81 0.00 0.00 57.70 55.88 1jh4 n MET 23 Cb 0.01 -0.55 -0.01 0.00 -0.71 0.00 0.00 33.22 31.96 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 -0.06 0.76 0.00 4.03 -0.00 -1.26 -4.89 117.00 115.57 1jh4 n LEU 24 Ca 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.00 1jh4 n LEU 24 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 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 3.26 0.44 0.00 1.47 0.00 -1.16 -4.14 105.19 105.06 1jh4 n GLY 25 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 3.82 0.00 -0.09 1.61 0.00 -1.26 -4.31 120.64 120.42 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 -0.38 0.00 0.00 0.00 0.00 0.00 31.44 31.06 1jh4 n GLU 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1jh4 n ARG 27 N -0.23 0.23 -0.03 3.44 5.12 -1.26 -4.89 116.66 119.05 1jh4 n ARG 27 Ca 0.00 -0.69 -0.14 0.00 -1.93 0.00 0.00 57.85 55.09 1jh4 n ARG 27 Cb 0.00 -0.55 -0.10 0.00 -1.16 0.00 0.00 32.46 30.65 1jh4 n ARG 27 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1jh4 h LEU 28 N 0.00 0.23 -0.73 0.55 3.38 -1.88 -3.21 115.31 113.65 1jh4 h LEU 28 Ca 0.00 -0.64 0.16 0.00 0.09 0.00 0.00 57.88 57.49 1jh4 h LEU 28 Cb 1.03 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.58 1jh4 h LEU 28 CO 0.00 0.84 -0.06 0.15 0.09 0.00 0.00 178.44 179.46 1jh4 h PHE 29 N -0.36 -0.16 -0.59 1.13 3.57 -1.78 0.61 116.94 119.36 1jh4 h PHE 29 Ca -0.01 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1jh4 h PHE 29 Cb 0.82 0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 1jh4 h PHE 29 CO 0.14 -0.26 0.38 -1.35 -2.23 0.00 0.00 178.31 174.99 1jh4 h PRO 30 N 0.07 0.74 -0.14 6.41 0.11 -1.88 0.95 132.00 138.25 1jh4 h PRO 30 Ca 0.38 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.40 1jh4 h PRO 30 Cb 0.65 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jh4 h PRO 30 CO -0.68 0.49 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.42 1jh4 h LEU 31 N 0.76 0.35 -0.40 2.35 3.38 -1.01 -2.95 115.31 117.79 1jh4 h LEU 31 Ca 0.23 -0.46 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 1jh4 h LEU 31 Cb -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1jh4 h LEU 31 CO -0.07 0.73 -0.05 -0.29 0.09 0.00 0.00 178.44 178.85 1jh4 h ILE 32 N -0.03 1.27 -0.91 1.22 -0.00 0.27 -2.58 117.51 116.75 1jh4 h ILE 32 Ca 0.03 -1.11 0.25 0.00 -0.00 0.00 0.00 64.86 64.02 1jh4 h ILE 32 Cb 0.62 1.17 -0.14 0.00 -0.00 0.00 0.00 36.82 38.48 1jh4 h ILE 32 CO 0.03 0.37 0.35 -0.61 -0.00 0.00 0.00 178.15 178.30 1jh4 h GLN 33 N 0.57 0.29 -0.72 2.19 4.15 0.97 2.28 115.11 124.83 1jh4 h GLN 33 Ca 0.11 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.59 1jh4 h GLN 33 Cb 0.56 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.14 1jh4 h GLN 33 CO 0.03 0.19 0.48 0.00 -1.93 0.00 0.00 178.83 177.60 1jh4 h ALA 34 N 1.77 1.76 0.00 3.38 0.00 -1.28 -3.26 119.26 121.64 1jh4 h ALA 34 Ca 0.59 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 55.09 1jh4 h ALA 34 Cb 1.20 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 1jh4 h ALA 34 CO -0.60 0.11 -2.27 -1.33 0.00 0.00 0.00 179.25 175.16 1jh4 n MET 35 N -4.49 0.58 -3.61 0.00 2.81 0.21 -5.03 117.12 107.59 1jh4 n MET 35 Ca 0.11 0.28 -0.22 0.00 -1.81 0.00 0.00 57.70 56.06 1jh4 n MET 35 Cb 0.27 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.35 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 -4.29 -2.33 0.00 2.03 8.25 0.71 -4.96 115.22 114.63 1jh4 n HIS 36 Ca -0.48 0.93 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1jh4 n HIS 36 Cb 0.83 -4.76 0.00 0.00 1.12 0.00 0.00 29.99 27.18 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 -4.48 0.00 -0.09 -0.41 -0.04 -1.26 -4.69 135.00 124.03 1jh4 n PRO 37 Ca -0.17 0.38 -0.09 0.00 -0.04 0.00 0.00 63.50 63.59 1jh4 n PRO 37 Cb 0.62 -1.31 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.65 1.48 -3.21 0.52 -2.24 -1.26 -5.03 114.28 102.90 1jh4 n THR 38 Ca 0.00 0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.96 1jh4 n THR 38 Cb 0.00 -2.34 -0.02 0.00 -2.10 0.00 0.00 70.33 65.87 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 -7.99 -0.87 0.17 3.22 0.20 -1.26 -5.04 118.68 107.11 1jh4 s LEU 39 Ca -0.25 0.64 -0.17 0.00 0.69 0.00 0.00 54.13 55.05 1jh4 s LEU 39 Cb 0.04 1.77 0.10 0.00 -0.43 0.00 0.00 46.19 47.67 1jh4 s LEU 39 CO 0.37 -0.16 1.67 0.00 -0.29 0.00 0.00 176.35 177.94 1jh4 h ALA 40 N 7.94 0.28 -0.37 5.97 0.00 -1.90 0.88 119.26 132.05 1jh4 h ALA 40 Ca -0.18 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1jh4 h ALA 40 Cb 1.16 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 1jh4 h ALA 40 CO 0.07 -0.45 -0.08 0.78 0.00 0.00 0.00 179.25 179.58 1jh4 h GLY 41 N 0.01 0.68 0.73 0.00 0.00 -1.97 -2.99 103.07 99.53 1jh4 h GLY 41 Ca 0.20 -0.47 -0.26 0.00 0.00 0.00 0.00 47.33 46.81 1jh4 h GLY 41 CO -0.42 0.43 -1.22 1.70 0.00 0.00 0.00 176.54 177.03 1jh4 h LYS 42 N 0.58 0.32 -0.88 4.80 3.11 -1.78 -3.34 116.57 119.37 1jh4 h LYS 42 Ca 0.11 -0.55 0.13 0.00 -2.81 0.00 0.00 60.65 57.53 1jh4 h LYS 42 Cb 0.49 0.20 -0.07 0.00 -1.00 0.00 0.00 32.23 31.85 1jh4 h LYS 42 CO 0.03 1.26 0.57 0.82 -2.81 0.00 0.00 179.45 179.32 1jh4 h ILE 43 N -0.23 0.87 -0.45 2.00 2.04 0.72 -1.53 117.51 120.92 1jh4 h ILE 43 Ca -0.24 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1jh4 h ILE 43 Cb 1.80 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1jh4 h ILE 43 CO 0.13 0.13 0.24 0.74 0.00 0.00 0.00 178.15 179.39 1jh4 h THR 44 N 0.73 0.98 -0.52 -0.27 2.02 -1.65 -1.20 112.91 113.01 1jh4 h THR 44 Ca 0.44 -0.16 0.09 0.00 0.77 0.00 0.00 66.41 67.54 1jh4 h THR 44 Cb 0.64 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1jh4 h THR 44 CO -0.20 0.09 0.35 1.23 0.37 0.00 0.00 175.52 177.36 1jh4 h GLY 45 N 0.47 0.47 0.31 2.16 0.00 -1.40 0.54 103.07 105.61 1jh4 h GLY 45 Ca 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1jh4 h GLY 45 CO -0.13 0.09 -0.15 -0.33 0.00 0.00 0.00 176.54 176.03 1jh4 h MET 46 N 0.35 -0.40 0.00 4.80 2.07 -1.24 -3.21 114.93 117.30 1jh4 h MET 46 Ca 0.24 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.89 1jh4 h MET 46 Cb 0.48 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.30 1jh4 h MET 46 CO -0.06 -0.26 0.09 -0.07 1.07 0.00 0.00 176.91 177.68 1jh4 h LEU 47 N -1.02 0.00 -0.74 1.22 -0.00 -1.07 -2.89 115.31 110.81 1jh4 h LEU 47 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 1jh4 h LEU 47 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1jh4 h LEU 47 CO 0.07 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.69 1jh4 n LEU 48 N -2.86 0.00 0.02 1.67 4.32 0.16 -2.87 117.00 117.44 1jh4 n LEU 48 Ca -0.02 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.07 1jh4 n LEU 48 Cb 0.15 0.00 0.45 0.00 -1.62 0.00 0.00 43.42 42.40 1jh4 n LEU 48 CO 0.16 0.00 0.84 1.21 -1.22 0.00 0.00 177.39 178.38 1jh4 n GLU 49 N 0.23 0.03 -3.81 3.23 0.00 -1.09 -4.80 120.64 114.43 1jh4 n GLU 49 Ca 0.00 0.17 -0.25 0.00 0.00 0.00 0.00 57.16 57.08 1jh4 n GLU 49 Cb 0.00 -1.55 -0.02 0.00 0.00 0.00 0.00 31.44 29.87 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 1.97 0.42 6.31 2.07 -1.14 -5.12 121.20 122.68 1jh4 s ILE 50 Ca 0.10 -1.46 -0.24 0.00 -1.41 0.00 0.00 60.65 57.64 1jh4 s ILE 50 Cb 0.13 -2.43 -0.09 0.00 0.13 0.00 0.00 42.46 40.20 1jh4 s ILE 50 CO 0.40 0.00 1.07 -0.62 -1.91 0.00 0.00 174.94 173.88 1jh4 s ASP 51 N -4.22 6.61 0.60 4.50 2.15 -1.26 -4.91 116.67 120.15 1jh4 s ASP 51 Ca 0.39 2.09 0.28 0.00 0.43 0.00 0.00 52.55 55.74 1jh4 s ASP 51 Cb -0.02 -2.59 1.43 0.00 -0.30 0.00 0.00 42.92 41.44 1jh4 s ASP 51 CO 0.23 -0.60 1.84 -1.13 -0.17 0.00 0.00 175.17 175.34 1jh4 h ASN 52 N 2.35 0.00 0.92 -0.34 -1.24 -2.00 0.22 115.58 115.50 1jh4 h ASN 52 Ca -0.49 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.47 1jh4 h ASN 52 Cb 1.22 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 1jh4 h ASN 52 CO 0.62 0.00 -0.24 0.77 -1.29 0.00 0.00 177.43 177.28 1jh4 h SER 53 N 0.00 0.00 0.09 1.15 4.64 -2.01 -3.10 113.55 114.32 1jh4 h SER 53 Ca 0.20 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.34 1jh4 h SER 53 Cb 1.27 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1jh4 h SER 53 CO -0.00 0.24 -0.78 -0.33 -0.87 0.00 0.00 176.83 175.10 1jh4 h GLU 54 N 0.00 0.36 -0.28 4.77 4.39 -0.92 -3.15 114.58 119.76 1jh4 h GLU 54 Ca -0.00 -0.51 0.02 0.00 0.34 0.00 0.00 59.36 59.20 1jh4 h GLU 54 Cb 0.77 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.58 1jh4 h GLU 54 CO 0.03 1.20 0.18 -0.07 -1.16 0.00 0.00 179.01 179.20 1jh4 h LEU 55 N -0.23 0.27 -0.17 1.33 4.07 -1.56 -1.00 115.31 118.02 1jh4 h LEU 55 Ca -0.12 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 1jh4 h LEU 55 Cb 1.55 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.22 1jh4 h LEU 55 CO 0.15 0.19 -0.01 -0.07 -1.08 0.00 0.00 178.44 177.62 1jh4 h LEU 56 N 0.31 0.30 -0.92 1.67 3.38 -1.60 -2.57 115.31 115.90 1jh4 h LEU 56 Ca 0.11 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1jh4 h LEU 56 Cb 0.05 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1jh4 h LEU 56 CO -0.02 0.56 0.60 0.45 0.09 0.00 0.00 178.44 180.11 1jh4 h HIS 57 N 0.04 1.14 -0.27 1.13 3.86 -1.31 -2.42 115.15 117.31 1jh4 h HIS 57 Ca 0.05 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1jh4 h HIS 57 Cb 0.41 -0.38 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1jh4 h HIS 57 CO 0.04 0.69 -0.00 0.52 0.86 0.00 0.00 177.93 180.04 1jh4 h MET 58 N 1.21 0.08 -0.02 2.45 2.86 -1.06 0.24 114.93 120.68 1jh4 h MET 58 Ca 0.35 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.99 1jh4 h MET 58 Cb -0.08 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 1jh4 h MET 58 CO -0.09 0.05 0.06 1.25 1.06 0.00 0.00 176.91 179.24 1jh4 h LEU 59 N 0.08 0.00 0.00 1.22 6.46 -1.02 0.33 115.31 122.37 1jh4 h LEU 59 Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1jh4 h LEU 59 Cb 0.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1jh4 h LEU 59 CO -0.22 0.00 -0.69 -0.62 -0.62 0.00 0.00 178.44 176.29 1jh4 n GLU 60 N -3.31 0.01 -3.44 1.25 -0.58 -0.04 -4.72 120.64 109.81 1jh4 n GLU 60 Ca -0.02 0.00 -0.23 0.00 -0.42 0.00 0.00 57.16 56.48 1jh4 n GLU 60 Cb 0.14 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.39 1jh4 n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1jh4 s SER 61 N -3.04 2.38 0.61 1.62 0.01 0.11 -5.00 113.70 110.39 1jh4 s SER 61 Ca 0.10 -1.43 0.29 0.00 1.31 0.00 0.00 55.95 56.21 1jh4 s SER 61 Cb 0.17 0.07 1.49 0.00 0.21 0.00 0.00 66.02 67.96 1jh4 s SER 61 CO 0.76 -0.35 1.89 -0.65 0.41 0.00 0.00 173.24 175.29 1jh4 h PRO 62 N 7.73 0.00 0.38 12.44 0.11 -1.84 -0.77 132.00 150.05 1jh4 h PRO 62 Ca -0.06 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1jh4 h PRO 62 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jh4 h PRO 62 CO 0.32 0.00 -0.19 0.93 -0.21 0.00 0.00 178.00 178.84 1jh4 h GLU 63 N 0.00 -0.50 -0.14 1.05 5.08 -1.95 0.16 114.58 118.28 1jh4 h GLU 63 Ca 0.16 0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 1jh4 h GLU 63 Cb 1.07 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1jh4 h GLU 63 CO -0.00 -0.34 -0.40 1.03 -1.00 0.00 0.00 179.01 178.30 1jh4 h SER 64 N -0.52 0.33 0.51 1.42 0.87 -1.83 -3.06 113.55 111.26 1jh4 h SER 64 Ca -0.05 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1jh4 h SER 64 Cb 0.40 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1jh4 h SER 64 CO 0.08 0.70 -0.38 0.25 -0.53 0.00 0.00 176.83 176.95 1jh4 h LEU 65 N 0.26 -0.98 -2.24 2.23 7.12 -1.10 -2.27 115.31 118.33 1jh4 h LEU 65 Ca 0.03 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.10 1jh4 h LEU 65 Cb 0.82 0.31 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1jh4 h LEU 65 CO 0.07 -0.56 -0.02 -0.09 -0.13 0.00 0.00 178.44 177.71 1jh4 h ARG 66 N -0.87 0.00 -0.71 1.25 9.65 -0.69 -2.06 114.38 120.95 1jh4 h ARG 66 Ca -0.06 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.88 1jh4 h ARG 66 Cb 0.73 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.26 1jh4 h ARG 66 CO 0.02 0.02 0.41 0.77 2.80 0.00 0.00 179.97 183.99 1jh4 h SER 67 N 0.00 0.63 0.04 -3.80 0.02 -1.30 0.52 113.55 109.65 1jh4 h SER 67 Ca -0.00 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1jh4 h SER 67 Cb 0.04 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1jh4 h SER 67 CO 0.00 0.41 -0.25 0.11 -1.14 0.00 0.00 176.83 175.96 1jh4 h LYS 68 N 0.76 0.08 0.15 3.45 1.79 -1.28 -3.19 116.57 118.33 1jh4 h LYS 68 Ca 0.31 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1jh4 h LYS 68 Cb 0.17 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1jh4 h LYS 68 CO -0.17 1.06 -0.19 0.28 -1.08 0.00 0.00 179.45 179.36 1jh4 h VAL 69 N -0.83 0.58 -0.39 0.50 2.07 -1.31 -1.93 116.25 114.94 1jh4 h VAL 69 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1jh4 h VAL 69 Cb 1.18 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 1jh4 h VAL 69 CO 0.03 0.00 -0.40 -0.78 0.02 0.00 0.00 177.57 176.44 1jh4 h ASP 70 N -0.38 -1.34 -0.60 0.57 3.58 -0.10 0.03 116.42 118.18 1jh4 h ASP 70 Ca 0.01 0.21 0.12 0.00 0.42 0.00 0.00 57.03 57.79 1jh4 h ASP 70 Cb 0.38 0.59 -0.10 0.00 1.72 0.00 0.00 39.33 41.92 1jh4 h ASP 70 CO -0.07 -0.36 -0.02 -0.33 -2.88 0.00 0.00 179.24 175.58 1jh4 h GLU 71 N -0.32 0.09 -0.70 0.28 3.07 -1.49 -0.76 114.58 114.76 1jh4 h GLU 71 Ca 0.14 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.13 1jh4 h GLU 71 Cb 0.58 -0.02 -0.13 0.00 -0.84 0.00 0.00 28.75 28.33 1jh4 h GLU 71 CO -0.56 0.06 -0.28 0.00 -1.40 0.00 0.00 179.01 176.83 1jh4 h ALA 72 N 1.55 0.21 -0.86 3.43 0.00 -0.19 0.39 119.26 123.78 1jh4 h ALA 72 Ca 0.31 0.23 0.13 0.00 0.00 0.00 0.00 54.91 55.58 1jh4 h ALA 72 Cb 0.49 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1jh4 h ALA 72 CO -0.53 -0.56 0.47 0.28 0.00 0.00 0.00 179.25 178.91 1jh4 h VAL 73 N -0.08 0.78 0.12 0.00 2.07 -0.68 0.95 116.25 119.42 1jh4 h VAL 73 Ca 0.30 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1jh4 h VAL 73 Cb 0.56 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1jh4 h VAL 73 CO -0.75 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 176.91 1jh4 h ALA 74 N 1.54 -0.16 0.35 1.67 0.00 -0.26 -2.93 119.26 119.47 1jh4 h ALA 74 Ca 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1jh4 h ALA 74 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jh4 h ALA 74 CO -0.33 -0.28 -0.17 -0.24 0.00 0.00 0.00 179.25 178.24 1jh4 h VAL 75 N -0.77 0.00 -0.37 0.00 3.04 -0.07 -2.90 116.25 115.19 1jh4 h VAL 75 Ca -0.02 -0.29 0.08 0.00 -1.01 0.00 0.00 66.70 65.47 1jh4 h VAL 75 Cb 0.55 0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 29.75 1jh4 h VAL 75 CO 0.03 0.00 -0.23 0.25 -1.01 0.00 0.00 177.57 176.60 1jh4 h LEU 76 N -0.75 -0.78 -1.74 3.16 6.46 0.74 1.27 115.31 123.67 1jh4 h LEU 76 Ca -0.05 0.16 0.23 0.00 -0.12 0.00 0.00 57.88 58.10 1jh4 h LEU 76 Cb 0.36 0.39 -0.05 0.00 -0.73 0.00 0.00 40.66 40.63 1jh4 h LEU 76 CO 0.08 -0.26 0.61 -0.61 -0.62 0.00 0.00 178.44 177.64 1jh4 h GLN 77 N -0.18 0.20 0.00 1.25 4.15 -1.50 0.45 115.11 119.48 1jh4 h GLN 77 Ca 0.18 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1jh4 h GLN 77 Cb 0.46 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1jh4 h GLN 77 CO -0.47 0.13 -0.15 0.00 -1.93 0.00 0.00 178.83 176.41 1jh4 h ALA 78 N 1.59 0.03 -1.33 3.38 0.00 0.22 -3.39 119.26 119.76 1jh4 h ALA 78 Ca 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jh4 h ALA 78 Cb 1.41 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1jh4 h ALA 78 CO -0.10 0.09 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1jh4 n HIS 79 N -4.64 0.00 -1.05 0.00 8.25 0.38 -4.16 115.22 114.01 1jh4 n HIS 79 Ca -0.09 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.93 1jh4 n HIS 79 Cb 0.36 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 1jh4 n HIS 79 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1jh4 n GLN 80 N -1.33 1.25 -2.46 -0.41 0.00 0.15 -4.88 117.38 109.70 1jh4 n GLN 80 Ca 0.00 -1.71 -0.25 0.00 -0.00 0.00 0.00 57.00 55.05 1jh4 n GLN 80 Cb 0.00 -2.85 0.13 0.00 0.00 0.00 0.00 30.24 27.52 1jh4 n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1jh4 s ALA 81 N 5.36 3.42 1.42 1.69 0.00 -1.26 -4.59 121.76 127.80 1jh4 s ALA 81 Ca 0.59 -1.66 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 1jh4 s ALA 81 Cb 0.14 -2.14 0.36 0.00 0.00 0.00 0.00 23.12 21.48 1jh4 s ALA 81 CO 0.16 -1.69 0.91 0.36 0.00 0.00 0.00 175.76 175.50 1jh4 n LYS 82 N -3.04 -4.42 -3.18 0.00 2.85 -1.26 -4.97 118.16 104.14 1jh4 n LYS 82 Ca 0.15 -1.50 -0.39 0.00 -1.05 0.00 0.00 58.31 55.52 1jh4 n LYS 82 Cb 0.60 -1.80 -0.05 0.00 -0.65 0.00 0.00 35.03 33.13 1jh4 n LYS 82 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1jh4 s GLU 83 N -5.14 4.35 -0.85 -1.58 0.41 -1.26 -5.00 118.70 109.63 1jh4 s GLU 83 Ca 0.67 0.74 -0.25 0.00 -0.41 0.00 0.00 54.97 55.72 1jh4 s GLU 83 Cb -0.10 -3.37 0.02 0.00 -1.78 0.00 0.00 34.13 28.89 1jh4 s GLU 83 CO 0.55 0.28 1.54 0.00 -0.49 0.00 0.00 175.26 177.13 1jh4 s ALA 84 N 0.11 2.47 -0.02 5.21 0.00 -1.26 -4.81 121.76 123.45 1jh4 s ALA 84 Ca 0.32 -1.61 0.30 0.00 0.00 0.00 0.00 51.96 50.97 1jh4 s ALA 84 Cb -0.18 -4.41 1.45 0.00 0.00 0.00 0.00 23.12 19.97 1jh4 s ALA 84 CO 0.17 -3.75 1.89 0.00 0.00 0.00 0.00 175.76 174.07 1jh4 h ALA 85 N 10.89 1.00 -0.42 0.00 0.00 -2.05 -3.31 119.26 125.37 1jh4 h ALA 85 Ca -0.04 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.14 1jh4 h ALA 85 Cb 1.04 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1jh4 h ALA 85 CO 1.31 0.00 2.78 0.94 0.00 0.00 0.00 179.25 184.28 1jh4 n GLN 86 N -2.59 3.59 -2.95 0.00 7.27 -1.26 -4.96 117.38 116.49 1jh4 n GLN 86 Ca -0.01 -2.99 -0.31 0.00 0.07 0.00 0.00 57.00 53.77 1jh4 n GLN 86 Cb 0.14 -2.95 -0.04 0.00 2.41 0.00 0.00 30.24 29.80 1jh4 n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1jh4 s LYS 87 N 1.27 3.81 0.20 3.69 2.20 -1.25 -5.03 119.74 124.62 1jh4 s LYS 87 Ca 0.50 0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.28 1jh4 s LYS 87 Cb 0.14 -2.42 -0.09 0.00 -1.51 0.00 0.00 37.83 33.96 1jh4 s LYS 87 CO -0.05 0.02 1.31 0.00 -0.36 0.00 0.00 175.35 176.26 1jh4 s ALA 88 N -2.28 3.52 -0.04 3.13 0.00 -1.26 -4.95 121.76 119.88 1jh4 s ALA 88 Ca 0.51 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 53.41 1jh4 s ALA 88 Cb -0.10 -3.48 -0.31 0.00 0.00 0.00 0.00 23.12 19.22 1jh4 s ALA 88 CO 0.29 -0.53 0.79 -0.24 0.00 0.00 0.00 175.76 176.06 1jh4 h VAL 89 N 3.76 1.20 -1.39 0.00 3.04 -2.01 -3.35 116.25 117.49 1jh4 h VAL 89 Ca -0.45 -2.54 -0.68 0.00 -1.01 0.00 0.00 66.70 62.02 1jh4 h VAL 89 Cb 1.21 2.94 -0.32 0.00 -2.01 0.00 0.00 31.29 33.12 1jh4 h VAL 89 CO 0.77 0.77 0.51 0.59 -1.01 0.00 0.00 177.57 179.21 1jh4 n ASN 90 N -3.85 6.90 -0.02 3.17 4.13 -1.26 -4.66 115.26 119.67 1jh4 n ASN 90 Ca -0.20 -3.79 -0.16 0.00 1.68 0.00 0.00 54.58 52.10 1jh4 n ASN 90 Cb 0.98 -0.86 -0.09 0.00 -1.54 0.00 0.00 39.78 38.27 1jh4 n ASN 90 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1jh4 h SER 91 N 2.45 0.63 -2.96 6.41 0.87 -1.98 -3.43 113.55 115.53 1jh4 h SER 91 Ca 0.52 -0.67 -0.56 0.00 -1.23 0.00 0.00 61.79 59.85 1jh4 h SER 91 Cb 0.64 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1jh4 h SER 91 CO 1.34 1.20 0.84 0.00 -0.53 0.00 0.00 176.83 179.67 1jh4 s ALA 92 N -3.58 3.60 -0.46 6.23 0.00 -1.26 -5.00 121.76 121.30 1jh4 s ALA 92 Ca -0.13 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 52.24 1jh4 s ALA 92 Cb 0.05 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.67 1jh4 s ALA 92 CO 0.83 -1.03 0.35 -0.08 0.00 0.00 0.00 175.76 175.83 1jh4 s THR 93 N 3.05 4.77 -0.13 0.00 -1.32 -1.26 -5.06 115.64 115.69 1jh4 s THR 93 Ca 0.56 -1.30 -0.29 0.00 -1.21 0.00 0.00 61.69 59.44 1jh4 s THR 93 Cb -0.23 -3.92 -0.01 0.00 -1.51 0.00 0.00 72.50 66.82 1jh4 s THR 93 CO 0.18 -0.60 1.10 -0.83 -2.21 0.00 0.00 174.62 172.25 1jh4 s GLY 94 N 2.55 2.02 -0.13 6.08 0.00 -1.26 -5.03 107.32 111.55 1jh4 s GLY 94 Ca 0.04 0.40 -0.05 0.00 0.00 0.00 0.00 44.72 45.10 1jh4 s GLY 94 CO 0.04 2.14 0.05 -1.34 0.00 0.00 0.00 173.10 173.99 1jh4 s VAL 95 N 2.59 4.70 0.05 1.40 -7.23 -1.26 -5.02 120.40 115.63 1jh4 s VAL 95 Ca 0.50 -0.08 -0.20 0.00 -1.81 0.00 0.00 61.98 60.39 1jh4 s VAL 95 Cb -0.19 -3.05 -0.13 0.00 0.56 0.00 0.00 36.38 33.57 1jh4 s VAL 95 CO 0.15 0.55 1.39 1.55 -0.31 0.00 0.00 175.10 178.43 1jh4 h PRO 96 N 5.75 0.39 -5.85 4.82 0.13 -2.08 -3.42 132.00 131.74 1jh4 h PRO 96 Ca -0.46 -0.18 -0.57 0.00 -0.87 0.00 0.00 66.00 63.92 1jh4 h PRO 96 Cb 1.19 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1jh4 h PRO 96 CO 0.61 0.72 -0.09 0.95 -0.23 0.00 0.00 178.00 179.96 1jh4 s THR 97 N -4.47 5.12 0.00 1.56 -4.23 -1.26 -5.37 115.64 106.99 1jh4 s THR 97 Ca -0.14 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.44 1jh4 s THR 97 Cb 0.06 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1jh4 s THR 97 CO 0.75 0.34 0.27 0.55 -0.54 0.00 0.00 174.62 176.00