#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 -0.89 0.11 4.61 0.00 -1.26 -5.17 121.76 119.16 3h1c s ALA 1040Ca 0.00 0.40 0.08 0.00 0.00 0.00 0.00 51.96 52.44 3h1c s ALA 1040Cb 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3h1c s ALA 1040CO 0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 175.76 175.32 3h1c s ALA 1041N -1.49 2.80 0.00 0.00 0.00 -1.26 -4.86 121.76 116.95 3h1c s ALA 1041Ca -0.12 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3h1c s ALA 1041Cb -0.04 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.33 3h1c s ALA 1041CO 0.04 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.82 3h1c n GLY 1042N 0.73 2.00 0.27 0.00 0.00 -1.26 -4.88 105.19 102.05 3h1c n GLY 1042Ca -0.15 -1.91 0.17 0.00 0.00 0.00 0.00 46.02 44.14 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 2.00 -0.02 0.00 -2.00 -2.66 103.07 100.38 3h1c h GLY 1043Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3h1c h GLY 1043CO 0.00 0.00 -0.19 1.12 0.00 0.00 0.00 176.54 177.47 3h1c h HIS 1044N 0.00 0.00 -0.72 5.60 2.07 -1.99 -3.15 115.15 116.96 3h1c h HIS 1044Ca 0.00 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.28 3h1c h HIS 1044Cb 0.50 0.00 -0.14 0.00 2.57 0.00 0.00 27.41 30.34 3h1c h HIS 1044CO 0.00 0.19 0.30 0.25 -3.07 0.00 0.00 177.93 175.61 3h1c n THR 1045N -3.22 2.76 -2.52 6.12 -2.24 -1.00 -4.96 114.28 109.21 3h1c n THR 1045Ca 0.02 -1.50 -0.41 0.00 -2.27 0.00 0.00 64.05 59.89 3h1c n THR 1045Cb 0.51 -0.41 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 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 -2.79 3.38 0.11 6.98 0.00 -1.19 -4.92 121.76 123.32 3h1c s ALA 1046Ca 0.50 0.82 0.18 0.00 0.00 0.00 0.00 51.96 53.47 3h1c s ALA 1046Cb 0.41 -3.33 0.55 0.00 0.00 0.00 0.00 23.12 20.75 3h1c s ALA 1046CO 0.12 -0.16 1.67 0.00 0.00 0.00 0.00 175.76 177.40 3h1c h THR 1047N 3.47 0.90 -3.72 0.00 1.03 -1.93 -3.44 112.91 109.23 3h1c h THR 1047Ca -0.45 -1.69 -0.26 0.00 -0.01 0.00 0.00 66.41 64.00 3h1c h THR 1047Cb 1.21 2.04 -0.29 0.00 -1.07 0.00 0.00 68.15 70.04 3h1c h THR 1047CO 0.70 0.41 -0.73 -1.00 -0.01 0.00 0.00 175.52 174.89 3h1c s HIS 1048N -3.47 0.10 -0.08 0.00 4.02 -1.26 -5.15 115.29 109.45 3h1c s HIS 1048Ca 0.01 0.00 0.02 0.00 1.02 0.00 0.00 55.06 56.11 3h1c s HIS 1048Cb 0.10 -0.11 0.01 0.00 -1.02 0.00 0.00 32.58 31.57 3h1c s HIS 1048CO 0.70 -0.02 -0.14 -1.58 1.02 0.00 0.00 174.74 174.72 3h1c s HIS 1049N 0.17 1.63 -0.20 1.40 2.46 -1.26 -5.11 115.29 114.38 3h1c s HIS 1049Ca -0.01 -0.64 -0.04 0.00 0.47 0.00 0.00 55.06 54.84 3h1c s HIS 1049Cb -0.03 -1.18 0.10 0.00 -0.13 0.00 0.00 32.58 31.34 3h1c s HIS 1049CO -0.00 -0.32 0.30 0.00 -2.47 0.00 0.00 174.74 172.25 3h1c s ALA 1050N 0.70 -0.71 0.11 1.58 0.00 -1.26 -5.16 121.76 117.02 3h1c s ALA 1050Ca -0.14 0.73 0.10 0.00 0.00 0.00 0.00 51.96 52.65 3h1c s ALA 1050Cb -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 3h1c s ALA 1050CO 0.03 -1.09 -0.23 -1.54 0.00 0.00 0.00 175.76 172.93 3h1c s SER 1051N 2.45 3.53 0.02 0.00 1.04 -1.26 -5.14 113.70 114.34 3h1c s SER 1051Ca 0.07 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.88 3h1c s SER 1051Cb -0.15 -0.37 -0.02 0.00 0.10 0.00 0.00 66.02 65.59 3h1c s SER 1051CO -0.13 0.20 -0.07 0.00 0.98 0.00 0.00 173.24 174.22 3h1c s ALA 1052N -1.04 0.50 0.33 5.32 0.00 -1.26 -5.16 121.76 120.45 3h1c s ALA 1052Ca 0.15 -0.54 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 3h1c s ALA 1052Cb -0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 3h1c s ALA 1052CO 0.07 0.03 0.67 0.00 0.00 0.00 0.00 175.76 176.53 3h1c s ALA 1053N -0.88 3.44 -0.10 0.00 0.00 -1.26 -5.01 121.76 117.96 3h1c s ALA 1053Ca -0.05 -0.24 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 3h1c s ALA 1053Cb -0.07 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.40 3h1c s ALA 1053CO 0.00 0.21 2.09 -2.30 0.00 0.00 0.00 175.76 175.76 3h1c n PRO 1054N -0.81 2.35 -3.90 0.00 -0.02 -1.26 -4.96 135.00 126.40 3h1c n PRO 1054Ca 0.01 0.78 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 3h1c n PRO 1054Cb 0.53 -3.06 -0.09 0.00 -0.02 0.00 0.00 33.50 30.86 3h1c n PRO 1054CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1c s ALA 1055N 6.25 -0.16 0.59 3.55 0.00 -1.26 -5.16 121.76 125.58 3h1c s ALA 1055Ca 0.95 -0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 3h1c s ALA 1055Cb -0.43 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3h1c s ALA 1055CO 0.40 -0.35 1.13 1.03 0.00 0.00 0.00 175.76 177.97 3h1c s ARG 1056N -2.71 3.12 0.89 0.00 0.52 -1.26 -5.00 118.95 114.51 3h1c s ARG 1056Ca -0.04 1.55 -0.11 0.00 -0.52 0.00 0.00 55.73 56.61 3h1c s ARG 1056Cb -0.00 -1.98 0.13 0.00 0.52 0.00 0.00 34.95 33.62 3h1c s ARG 1056CO -0.05 -1.02 1.15 -1.25 0.02 0.00 0.00 175.30 174.15 3h1c s PRO 1057N -3.58 1.19 -0.23 3.54 0.04 -1.26 -4.98 135.00 129.72 3h1c s PRO 1057Ca 0.71 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 3h1c s PRO 1057Cb -0.23 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3h1c s PRO 1057CO 0.33 -2.51 0.38 1.14 0.04 0.00 0.00 177.00 176.37 3h1c s GLN 1058N -4.60 4.12 0.00 4.56 -2.07 -1.26 -5.34 119.66 115.07 3h1c s GLN 1058Ca 0.67 0.12 0.00 0.00 -1.82 0.00 0.00 55.36 54.34 3h1c s GLN 1058Cb -0.23 -3.57 0.00 0.00 -1.09 0.00 0.00 33.01 28.11 3h1c s GLN 1058CO 0.57 -0.11 0.45 -0.35 -1.32 0.00 0.00 175.29 174.53