#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5l s ILE 12 N 0.00 4.98 -0.11 12.58 -4.36 -1.26 -5.08 121.20 127.95 1s5l s ILE 12 Ca 0.00 0.01 0.01 0.00 -0.26 0.00 0.00 60.65 60.41 1s5l s ILE 12 Cb 0.00 -3.16 -0.02 0.00 1.25 0.00 0.00 42.46 40.53 1s5l s ILE 12 CO 0.00 0.58 -0.14 0.42 0.24 0.00 0.00 174.94 176.04 1s5l s THR 13 N -0.68 3.00 0.00 8.37 -4.23 -1.26 -4.98 115.64 115.86 1s5l s THR 13 Ca 0.12 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1s5l s THR 13 Cb -0.12 -2.23 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1s5l s THR 13 CO 0.02 0.54 0.00 -2.65 -0.54 0.00 0.00 174.62 172.00 1s5l n PRO 14 N 3.20 0.00 0.25 3.99 -0.02 -1.26 0.19 135.00 141.35 1s5l n PRO 14 Ca -0.18 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.45 1s5l n PRO 14 Cb 0.53 0.00 0.46 0.00 -0.02 0.00 0.00 33.50 34.46 1s5l n PRO 14 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1s5l h SER 15 N 0.00 0.00 0.01 2.55 0.02 -1.99 -2.72 113.55 111.42 1s5l h SER 15 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1s5l h SER 15 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1s5l h SER 15 CO 0.00 0.03 -0.61 -0.07 -1.14 0.00 0.00 176.83 175.04 1s5l h LEU 16 N 0.00 0.68 0.89 5.07 3.38 0.18 -1.27 115.31 124.24 1s5l h LEU 16 Ca -0.00 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1s5l h LEU 16 Cb 0.74 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.30 1s5l h LEU 16 CO 0.00 1.13 -0.43 0.11 0.09 0.00 0.00 178.44 179.35 1s5l h LYS 17 N 0.44 -1.15 -0.91 1.13 1.57 -1.63 -1.38 116.57 114.64 1s5l h LYS 17 Ca -0.01 0.08 0.19 0.00 -1.87 0.00 0.00 60.65 59.04 1s5l h LYS 17 Cb 1.18 0.26 -0.17 0.00 0.08 0.00 0.00 32.23 33.58 1s5l h LYS 17 CO 0.12 -0.76 -0.22 0.78 -0.57 0.00 0.00 179.45 178.80 1s5l h GLY 18 N -1.25 0.68 0.69 3.86 0.00 -1.46 1.51 103.07 107.09 1s5l h GLY 18 Ca -0.12 0.29 0.07 0.00 0.00 0.00 0.00 47.33 47.57 1s5l h GLY 18 CO 0.20 -0.35 0.54 -2.75 0.00 0.00 0.00 176.54 174.17 1s5l h PHE 19 N 0.00 0.99 -0.20 5.60 3.57 -1.05 0.41 116.94 126.27 1s5l h PHE 19 Ca 0.44 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.85 1s5l h PHE 19 Cb 0.69 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1s5l h PHE 19 CO -0.70 0.49 -0.36 0.74 -2.23 0.00 0.00 178.31 176.24 1s5l h PHE 20 N 0.96 0.76 -0.61 0.41 0.05 0.28 -2.49 116.94 116.30 1s5l h PHE 20 Ca 0.39 -0.27 0.02 0.00 3.82 0.00 0.00 57.97 61.93 1s5l h PHE 20 Cb 0.21 -0.14 -0.03 0.00 2.00 0.00 0.00 35.95 37.98 1s5l h PHE 20 CO -0.03 1.01 0.41 0.82 -0.18 0.00 0.00 178.31 180.34 1s5l h ILE 21 N 0.28 1.13 0.23 -0.55 2.04 0.16 -0.13 117.51 120.67 1s5l h ILE 21 Ca 0.01 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1s5l h ILE 21 Cb 0.96 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1s5l h ILE 21 CO 0.08 0.14 -0.18 1.23 0.00 0.00 0.00 178.15 179.43 1s5l h GLY 22 N 0.79 -0.42 0.32 5.37 0.00 0.07 0.93 103.07 110.13 1s5l h GLY 22 Ca 0.23 0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.80 1s5l h GLY 22 CO -0.06 -0.18 -0.26 -2.00 0.00 0.00 0.00 176.54 174.04 1s5l h LEU 23 N -0.42 -0.80 0.28 3.11 5.85 -0.92 0.69 115.31 123.10 1s5l h LEU 23 Ca -0.01 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1s5l h LEU 23 Cb 0.37 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1s5l h LEU 23 CO -0.01 -0.32 -0.50 0.25 -0.34 0.00 0.00 178.44 177.52 1s5l h LEU 24 N -0.37 -1.44 -2.22 2.25 5.85 -0.61 0.68 115.31 119.45 1s5l h LEU 24 Ca 0.08 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1s5l h LEU 24 Cb 0.48 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 1s5l h LEU 24 CO -0.28 -0.59 0.21 0.28 -0.34 0.00 0.00 178.44 177.72 1s5l h SER 25 N -0.84 0.00 0.14 1.25 0.02 0.13 0.33 113.55 114.58 1s5l h SER 25 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1s5l h SER 25 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1s5l h SER 25 CO -0.19 0.00 -0.07 1.23 -1.14 0.00 0.00 176.83 176.67 1s5l h GLY 26 N 0.00 -0.19 0.02 -3.77 0.00 0.32 -2.94 103.07 96.51 1s5l h GLY 26 Ca 0.09 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.58 1s5l h GLY 26 CO -0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 176.54 176.31 1s5l h ALA 27 N 0.11 0.21 -0.09 3.60 0.00 0.39 0.13 119.26 123.60 1s5l h ALA 27 Ca -0.02 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1s5l h ALA 27 Cb 0.49 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1s5l h ALA 27 CO 0.03 -0.50 -0.30 0.28 0.00 0.00 0.00 179.25 178.76 1s5l h VAL 28 N -0.06 0.33 -0.06 0.00 2.07 -0.82 1.45 116.25 119.16 1s5l h VAL 28 Ca 0.22 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.58 1s5l h VAL 28 Cb 0.39 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1s5l h VAL 28 CO -0.49 0.00 -0.66 0.58 0.02 0.00 0.00 177.57 177.02 1s5l h VAL 29 N -0.39 1.40 -0.39 2.57 2.07 -1.32 -1.97 116.25 118.22 1s5l h VAL 29 Ca 0.09 -2.09 -0.13 0.00 0.82 0.00 0.00 66.70 65.38 1s5l h VAL 29 Cb 0.52 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1s5l h VAL 29 CO -0.31 0.62 -0.26 0.25 0.02 0.00 0.00 177.57 177.88 1s5l h LEU 30 N 0.19 0.90 0.17 2.57 5.85 -0.19 -1.99 115.31 122.81 1s5l h LEU 30 Ca -0.01 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1s5l h LEU 30 Cb 1.19 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1s5l h LEU 30 CO 0.10 1.14 -0.08 1.23 -0.34 0.00 0.00 178.44 180.49 1s5l h GLY 31 N 0.67 -0.24 0.93 3.75 0.00 0.21 -2.61 103.07 105.77 1s5l h GLY 31 Ca 0.08 0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.51 1s5l h GLY 31 CO 0.07 -0.09 0.21 -2.00 0.00 0.00 0.00 176.54 174.73 1s5l h LEU 32 N -0.45 0.34 -0.23 3.11 5.85 -1.42 -1.22 115.31 121.30 1s5l h LEU 32 Ca -0.02 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1s5l h LEU 32 Cb 0.35 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1s5l h LEU 32 CO 0.04 0.25 -0.38 0.74 -0.34 0.00 0.00 178.44 178.75 1s5l h THR 33 N 0.43 0.19 0.27 1.05 2.02 -1.31 0.19 112.91 115.75 1s5l h THR 33 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1s5l h THR 33 Cb -0.00 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 1s5l h THR 33 CO -0.06 0.00 -0.13 -0.26 0.37 0.00 0.00 175.52 175.44 1s5l h PHE 34 N -0.39 -0.33 -0.14 3.16 -1.00 -1.40 -2.26 116.94 114.58 1s5l h PHE 34 Ca 0.11 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.90 1s5l h PHE 34 Cb 0.58 0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 1s5l h PHE 34 CO -0.50 -0.04 -0.09 0.00 -1.61 0.00 0.00 178.31 176.07 1s5l h ALA 35 N 0.02 -0.14 -0.57 2.45 0.00 -0.96 0.80 119.26 120.87 1s5l h ALA 35 Ca -0.04 0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.99 1s5l h ALA 35 Cb 0.44 1.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.13 1s5l h ALA 35 CO 0.06 -0.20 -0.29 0.28 0.00 0.00 0.00 179.25 179.10 1s5l h VAL 36 N -0.01 0.22 -0.26 0.00 2.07 -1.03 0.77 116.25 118.01 1s5l h VAL 36 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1s5l h VAL 36 Cb 0.07 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1s5l h VAL 36 CO -0.14 0.00 0.12 -0.07 0.02 0.00 0.00 177.57 177.51 1s5l h LEU 37 N -0.14 0.34 -0.84 2.57 3.38 -0.62 0.35 115.31 120.35 1s5l h LEU 37 Ca 0.24 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1s5l h LEU 37 Cb 0.53 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 1s5l h LEU 37 CO -0.65 0.37 0.49 0.40 0.09 0.00 0.00 178.44 179.14 1s5l h ILE 38 N 0.29 0.93 0.76 1.22 2.04 0.13 -1.61 117.51 121.26 1s5l h ILE 38 Ca 0.09 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1s5l h ILE 38 Cb 0.12 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1s5l h ILE 38 CO -0.01 0.15 -0.36 0.00 0.00 0.00 0.00 178.15 177.93 1s5l h ALA 39 N 1.45 -1.01 0.00 1.87 0.00 -0.37 -2.85 119.26 118.36 1s5l h ALA 39 Ca 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1s5l h ALA 39 Cb 0.35 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1s5l h ALA 39 CO -0.24 -1.05 0.00 0.82 0.00 0.00 0.00 179.25 178.79 1s5l h ILE 40 N -1.06 0.00 0.00 0.00 2.04 -0.57 -0.63 117.51 117.30 1s5l h ILE 40 Ca -0.10 -0.01 -0.20 0.00 1.00 0.00 0.00 64.86 65.54 1s5l h ILE 40 Cb 0.79 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1s5l h ILE 40 CO 0.17 0.00 -0.96 0.28 0.00 0.00 0.00 178.15 177.64 1s5l h SER 41 N 0.00 0.02 0.02 1.72 0.02 -1.06 -3.12 113.55 111.14 1s5l h SER 41 Ca 0.00 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1s5l h SER 41 Cb 0.01 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1s5l h SER 41 CO 0.00 0.97 -0.49 1.56 -1.14 0.00 0.00 176.83 177.72 1s5l h GLN 42 N 0.01 0.03 -0.30 3.45 4.20 -1.04 -3.37 115.11 118.10 1s5l h GLN 42 Ca -0.01 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.70 1s5l h GLN 42 Cb 1.69 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 29.43 1s5l h GLN 42 CO 0.13 1.03 -0.09 0.82 -0.67 0.00 0.00 178.83 180.04 1s5l h ILE 43 N -0.92 0.66 -3.51 2.54 1.08 -1.52 -3.20 117.51 112.64 1s5l h ILE 43 Ca -0.13 0.00 -0.76 0.00 -0.39 0.00 0.00 64.86 63.59 1s5l h ILE 43 Cb 1.17 0.66 -0.27 0.00 -3.07 0.00 0.00 36.82 35.31 1s5l h ILE 43 CO -0.05 0.00 -0.13 -0.62 -0.69 0.00 0.00 178.15 176.67 1s5l s ASP 44 N -5.19 6.23 0.70 1.72 -1.08 -1.18 -5.05 116.67 112.82 1s5l s ASP 44 Ca -0.14 -2.36 -0.11 0.00 -0.52 0.00 0.00 52.55 49.42 1s5l s ASP 44 Cb 0.12 -2.13 0.01 0.00 -1.46 0.00 0.00 42.92 39.47 1s5l s ASP 44 CO 0.70 -0.64 1.06 -0.54 0.52 0.00 0.00 175.17 176.27 1s5l s LYS 45 N 0.69 2.94 -0.27 4.34 1.02 -1.21 -4.67 119.74 122.57 1s5l s LYS 45 Ca 0.12 0.88 -0.26 0.00 0.02 0.00 0.00 55.97 56.73 1s5l s LYS 45 Cb -0.19 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1s5l s LYS 45 CO -0.04 -1.08 0.92 0.08 -0.92 0.00 0.00 175.35 174.31 1s5l s VAL 46 N -3.08 4.73 -0.04 3.17 1.01 -1.26 -5.00 120.40 119.92 1s5l s VAL 46 Ca 0.58 1.63 -0.29 0.00 0.00 0.00 0.00 61.98 63.90 1s5l s VAL 46 Cb -0.14 -4.23 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 1s5l s VAL 46 CO 0.55 -0.21 1.99 0.00 0.00 0.00 0.00 175.10 177.42 1s5l s GLN 47 N 3.10 3.89 -0.18 2.72 -2.07 -1.26 -4.96 119.66 120.90 1s5l s GLN 47 Ca 0.39 2.40 -0.28 0.00 -1.82 0.00 0.00 55.36 56.05 1s5l s GLN 47 Cb -0.14 -4.19 0.10 0.00 -1.09 0.00 0.00 33.01 27.68 1s5l s GLN 47 CO 0.09 -1.23 0.86 0.50 -1.32 0.00 0.00 175.29 174.19 1s5l s ARG 48 N 4.88 0.76 -0.03 9.60 6.06 -1.26 -5.16 118.95 133.80 1s5l s ARG 48 Ca 0.89 0.48 -0.01 0.00 -2.50 0.00 0.00 55.73 54.59 1s5l s ARG 48 Cb -0.39 0.36 0.02 0.00 0.06 0.00 0.00 34.95 35.01 1s5l s ARG 48 CO 0.39 -0.18 0.06 -1.12 -2.50 0.00 0.00 175.30 171.96 1s5l s SER 49 N -0.48 -0.02 0.00 -2.12 0.01 -1.26 -5.29 113.70 104.55 1s5l s SER 49 Ca -0.03 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.36 1s5l s SER 49 Cb -0.02 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1s5l s SER 49 CO 0.02 -0.09 0.35 0.18 0.41 0.00 0.00 173.24 174.10