#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 3.96 -0.03 4.61 0.00 -1.26 -5.11 121.76 123.94 3h1c s ALA 1040Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.90 3h1c s ALA 1040Cb 0.00 -1.89 0.07 0.00 0.00 0.00 0.00 23.12 21.30 3h1c s ALA 1040CO 0.00 0.77 0.64 0.00 0.00 0.00 0.00 175.76 177.17 3h1c s ALA 1041N -1.41 -1.66 0.00 0.00 0.00 -1.26 -5.11 121.76 112.32 3h1c s ALA 1041Ca 0.31 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3h1c s ALA 1041Cb -0.13 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3h1c s ALA 1041CO 0.22 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3h1c n GLY 1042N 0.81 -0.98 0.14 0.00 0.00 -1.26 -4.00 105.19 99.91 3h1c n GLY 1042Ca -0.19 -1.09 0.14 0.00 0.00 0.00 0.00 46.02 44.87 3h1c n GLY 1042CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1c n GLY 1043N 0.00 -0.88 0.17 -0.02 0.00 -1.26 -3.67 105.19 99.53 3h1c n GLY 1043Ca 0.00 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3h1c n GLY 1043CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3h1c h HIS 1044N 0.71 0.00 -0.49 1.61 2.07 -2.04 -3.16 115.15 113.85 3h1c h HIS 1044Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 3h1c h HIS 1044Cb 0.41 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.37 3h1c h HIS 1044CO 0.00 0.00 0.02 0.25 -3.07 0.00 0.00 177.93 175.13 3h1c n THR 1045N -2.74 2.65 -2.22 6.12 -2.24 -1.24 -5.01 114.28 109.60 3h1c n THR 1045Ca 0.04 -1.59 -0.41 0.00 -2.27 0.00 0.00 64.05 59.82 3h1c n THR 1045Cb 0.49 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 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 -2.82 3.50 0.11 6.98 0.00 -1.20 -4.95 121.76 123.39 3h1c s ALA 1046Ca 0.51 1.13 0.15 0.00 0.00 0.00 0.00 51.96 53.75 3h1c s ALA 1046Cb 0.40 -3.46 0.40 0.00 0.00 0.00 0.00 23.12 20.45 3h1c s ALA 1046CO 0.13 -0.52 1.60 0.00 0.00 0.00 0.00 175.76 176.98 3h1c h THR 1047N 3.42 1.06 -3.30 0.00 1.03 -1.95 -3.42 112.91 109.75 3h1c h THR 1047Ca -0.46 -1.98 -0.46 0.00 -0.01 0.00 0.00 66.41 63.49 3h1c h THR 1047Cb 1.22 2.17 -0.36 0.00 -1.07 0.00 0.00 68.15 70.11 3h1c h THR 1047CO 0.72 0.50 -0.78 -1.00 -0.01 0.00 0.00 175.52 174.95 3h1c s HIS 1048N -3.36 0.97 -0.07 0.00 4.02 -1.26 -5.14 115.29 110.44 3h1c s HIS 1048Ca 0.01 -0.36 0.04 0.00 1.02 0.00 0.00 55.06 55.77 3h1c s HIS 1048Cb 0.10 -0.90 -0.01 0.00 -1.02 0.00 0.00 32.58 30.75 3h1c s HIS 1048CO 0.73 -0.34 -0.21 -1.58 1.02 0.00 0.00 174.74 174.36 3h1c s HIS 1049N 1.51 2.56 -0.05 1.40 2.46 -1.26 -5.13 115.29 116.78 3h1c s HIS 1049Ca -0.01 -0.61 -0.07 0.00 0.47 0.00 0.00 55.06 54.84 3h1c s HIS 1049Cb -0.13 -1.65 0.02 0.00 -0.13 0.00 0.00 32.58 30.68 3h1c s HIS 1049CO -0.04 -0.14 0.19 0.00 -2.47 0.00 0.00 174.74 172.28 3h1c s ALA 1050N -0.17 -0.47 0.02 1.58 0.00 -1.26 -5.17 121.76 116.29 3h1c s ALA 1050Ca -0.02 0.39 0.01 0.00 0.00 0.00 0.00 51.96 52.33 3h1c s ALA 1050Cb -0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3h1c s ALA 1050CO 0.04 -0.13 -0.04 0.45 0.00 0.00 0.00 175.76 176.07 3h1c s SER 1051N -0.32 0.44 0.00 0.00 0.15 -1.26 -5.16 113.70 107.55 3h1c s SER 1051Ca -0.04 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.30 3h1c s SER 1051Cb -0.03 0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.30 3h1c s SER 1051CO 0.01 -0.13 -0.03 0.00 1.20 0.00 0.00 173.24 174.28 3h1c s ALA 1052N -0.84 0.27 0.15 5.45 0.00 -1.26 -5.16 121.76 120.38 3h1c s ALA 1052Ca -0.07 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 3h1c s ALA 1052Cb -0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 3h1c s ALA 1052CO -0.00 0.05 0.51 0.00 0.00 0.00 0.00 175.76 176.31 3h1c s ALA 1053N -0.22 3.62 -0.19 0.00 0.00 -1.26 -5.03 121.76 118.68 3h1c s ALA 1053Ca -0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 3h1c s ALA 1053Cb -0.02 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.63 3h1c s ALA 1053CO -0.00 0.50 1.82 -1.25 0.00 0.00 0.00 175.76 176.83 3h1c s PRO 1054N -2.17 3.66 0.13 0.00 0.04 -1.26 -4.96 135.00 130.44 3h1c s PRO 1054Ca 0.39 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.19 3h1c s PRO 1054Cb -0.14 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.26 3h1c s PRO 1054CO 0.20 -1.48 0.29 0.00 0.04 0.00 0.00 177.00 176.04 3h1c s ALA 1055N 5.94 -0.32 0.39 8.56 0.00 -1.26 -5.16 121.76 129.90 3h1c s ALA 1055Ca 0.81 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.93 3h1c s ALA 1055Cb -0.29 0.69 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 3h1c s ALA 1055CO 0.33 -0.61 1.16 1.03 0.00 0.00 0.00 175.76 177.67 3h1c s ARG 1056N -3.89 4.13 0.60 0.00 0.52 -1.26 -5.01 118.95 114.04 3h1c s ARG 1056Ca 0.09 1.82 -0.16 0.00 -0.52 0.00 0.00 55.73 56.96 3h1c s ARG 1056Cb 0.03 -2.73 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 3h1c s ARG 1056CO -0.07 -0.24 1.08 -1.25 0.02 0.00 0.00 175.30 174.84 3h1c s PRO 1057N -2.22 3.18 -0.21 3.54 0.04 -1.26 -5.02 135.00 133.06 3h1c s PRO 1057Ca 0.56 1.34 -0.23 0.00 0.04 0.00 0.00 61.00 62.70 3h1c s PRO 1057Cb -0.30 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 3h1c s PRO 1057CO 0.38 -0.94 0.75 1.14 0.04 0.00 0.00 177.00 178.38 3h1c s GLN 1058N -3.91 4.22 0.00 4.56 0.00 -1.26 -5.36 119.66 117.91 3h1c s GLN 1058Ca 0.66 0.83 0.07 0.00 -0.00 0.00 0.00 55.36 56.92 3h1c s GLN 1058Cb -0.19 -3.61 0.39 0.00 0.00 0.00 0.00 33.01 29.61 3h1c s GLN 1058CO 0.36 -0.38 0.86 -2.30 0.00 0.00 0.00 175.29 173.83