#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1c s ALA 1040N 0.00 2.92 0.13 4.61 0.00 -1.26 -5.14 121.76 123.02 3h1c s ALA 1040Ca 0.00 -1.17 0.10 0.00 0.00 0.00 0.00 51.96 50.89 3h1c s ALA 1040Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3h1c s ALA 1040CO 0.00 0.62 -0.24 0.00 0.00 0.00 0.00 175.76 176.14 3h1c s ALA 1041N -1.11 2.48 0.00 0.00 0.00 -1.26 -4.89 121.76 116.97 3h1c s ALA 1041Ca 0.19 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3h1c s ALA 1041Cb -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.54 3h1c s ALA 1041CO 0.11 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.83 3h1c n GLY 1042N 0.85 1.02 0.20 0.00 0.00 -1.26 -4.88 105.19 101.11 3h1c n GLY 1042Ca -0.17 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 43.98 3h1c n GLY 1042CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3h1c h GLY 1043N 0.00 0.00 1.92 -0.02 0.00 -2.01 -3.08 103.07 99.88 3h1c h GLY 1043Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h1c h GLY 1043CO 0.00 0.00 -0.07 1.12 0.00 0.00 0.00 176.54 177.59 3h1c h HIS 1044N 0.00 0.00 -0.32 5.60 2.07 -2.00 -3.22 115.15 117.27 3h1c h HIS 1044Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3h1c h HIS 1044Cb 0.85 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.83 3h1c h HIS 1044CO 0.00 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.11 3h1c n THR 1045N -2.67 1.12 -2.45 6.12 -2.24 -1.16 -4.93 114.28 108.06 3h1c n THR 1045Ca 0.04 -0.65 -0.41 0.00 -2.27 0.00 0.00 64.05 60.77 3h1c n THR 1045Cb 0.48 -0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 3h1c n THR 1045CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1c s ALA 1046N -1.77 3.41 0.16 6.98 0.00 -1.22 -4.96 121.76 124.36 3h1c s ALA 1046Ca 0.27 0.90 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 3h1c s ALA 1046Cb 0.19 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.96 3h1c s ALA 1046CO 0.11 -0.25 1.42 1.79 0.00 0.00 0.00 175.76 178.83 3h1c h THR 1047N 3.48 1.33 -3.52 0.00 1.35 -1.93 -3.43 112.91 110.19 3h1c h THR 1047Ca -0.45 -2.00 -0.64 0.00 -0.55 0.00 0.00 66.41 62.77 3h1c h THR 1047Cb 1.21 1.97 -0.33 0.00 -1.73 0.00 0.00 68.15 69.28 3h1c h THR 1047CO 0.71 0.61 -0.87 -1.00 -0.25 0.00 0.00 175.52 174.73 3h1c s HIS 1048N -3.76 2.28 -0.07 4.73 4.02 -1.26 -5.13 115.29 116.09 3h1c s HIS 1048Ca -0.07 -0.86 0.04 0.00 1.02 0.00 0.00 55.06 55.18 3h1c s HIS 1048Cb 0.10 -1.53 0.00 0.00 -1.02 0.00 0.00 32.58 30.13 3h1c s HIS 1048CO 0.86 -0.34 -0.18 -1.58 1.02 0.00 0.00 174.74 174.52 3h1c s HIS 1049N 0.28 1.91 -0.02 1.40 2.46 -1.26 -5.13 115.29 114.93 3h1c s HIS 1049Ca -0.14 -0.67 -0.01 0.00 0.47 0.00 0.00 55.06 54.70 3h1c s HIS 1049Cb -0.16 -1.31 0.01 0.00 -0.13 0.00 0.00 32.58 30.99 3h1c s HIS 1049CO 0.07 -0.28 0.04 0.00 -2.47 0.00 0.00 174.74 172.10 3h1c s ALA 1050N 0.32 -0.07 0.05 1.58 0.00 -1.26 -5.16 121.76 117.22 3h1c s ALA 1050Ca -0.12 0.17 0.05 0.00 0.00 0.00 0.00 51.96 52.07 3h1c s ALA 1050Cb -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3h1c s ALA 1050CO 0.05 -0.04 -0.15 0.45 0.00 0.00 0.00 175.76 176.07 3h1c s SER 1051N 0.28 1.75 0.04 0.00 0.15 -1.26 -5.16 113.70 109.51 3h1c s SER 1051Ca -0.02 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.14 3h1c s SER 1051Cb -0.03 -0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.16 3h1c s SER 1051CO -0.01 0.01 -0.09 0.00 1.20 0.00 0.00 173.24 174.36 3h1c s ALA 1052N -0.97 0.65 0.05 5.45 0.00 -1.26 -5.16 121.76 120.52 3h1c s ALA 1052Ca 0.01 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.25 3h1c s ALA 1052Cb -0.09 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3h1c s ALA 1052CO 0.02 0.02 0.02 0.00 0.00 0.00 0.00 175.76 175.81 3h1c s ALA 1053N -1.26 3.35 -0.26 0.00 0.00 -1.26 -5.06 121.76 117.27 3h1c s ALA 1053Ca -0.08 -1.03 -0.28 0.00 0.00 0.00 0.00 51.96 50.57 3h1c s ALA 1053Cb -0.09 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 3h1c s ALA 1053CO 0.01 0.69 1.90 -1.25 0.00 0.00 0.00 175.76 177.11 3h1c s PRO 1054N -2.03 3.39 0.15 0.00 0.04 -1.26 -4.95 135.00 130.35 3h1c s PRO 1054Ca 0.24 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 62.89 3h1c s PRO 1054Cb -0.12 -4.22 -0.00 0.00 0.04 0.00 0.00 34.50 30.20 3h1c s PRO 1054CO 0.16 -1.79 0.29 0.00 0.04 0.00 0.00 177.00 175.70 3h1c s ALA 1055N 6.91 -0.12 0.39 8.56 0.00 -1.26 -5.16 121.76 131.08 3h1c s ALA 1055Ca 0.85 -0.78 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 3h1c s ALA 1055Cb -0.27 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.56 3h1c s ALA 1055CO 0.34 -0.64 1.09 1.03 0.00 0.00 0.00 175.76 177.58 3h1c s ARG 1056N -3.94 4.16 0.06 0.00 0.52 -1.26 -5.02 118.95 113.46 3h1c s ARG 1056Ca 0.14 1.62 -0.31 0.00 -0.52 0.00 0.00 55.73 56.67 3h1c s ARG 1056Cb 0.03 -2.62 -0.06 0.00 0.52 0.00 0.00 34.95 32.83 3h1c s ARG 1056CO -0.02 -0.17 1.20 -2.14 0.02 0.00 0.00 175.30 174.19 3h1c s PRO 1057N -2.37 4.43 0.26 3.54 0.02 -1.26 -5.02 135.00 134.59 3h1c s PRO 1057Ca 0.57 1.77 -0.30 0.00 0.02 0.00 0.00 61.00 63.06 3h1c s PRO 1057Cb -0.25 -3.35 -0.09 0.00 0.02 0.00 0.00 34.50 30.82 3h1c s PRO 1057CO 0.31 -0.27 1.00 1.14 -0.33 0.00 0.00 177.00 178.86 3h1c s GLN 1058N 1.10 4.77 0.00 5.54 0.00 -1.26 -5.37 119.66 124.44 3h1c s GLN 1058Ca 0.59 1.61 0.28 0.00 -0.00 0.00 0.00 55.36 57.84 3h1c s GLN 1058Cb -0.29 -3.24 1.04 0.00 0.00 0.00 0.00 33.01 30.52 3h1c s GLN 1058CO 0.29 0.40 1.74 -0.35 0.00 0.00 0.00 175.29 177.37