#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 s SER 3 N 0.00 6.67 -0.09 2.89 0.01 -1.26 -4.87 113.70 117.06 3df1 s SER 3 Ca 0.00 0.75 0.16 0.00 1.31 0.00 0.00 55.95 58.18 3df1 s SER 3 Cb 0.00 -2.39 0.32 0.00 0.21 0.00 0.00 66.02 64.16 3df1 s SER 3 CO 0.00 -0.51 1.16 -0.11 0.41 0.00 0.00 173.24 174.19 3df1 n LEU 4 N 5.98 0.20 0.00 2.44 0.00 -1.26 -5.09 117.00 119.27 3df1 n LEU 4 Ca 0.03 -2.33 0.00 0.00 0.00 0.00 0.00 56.01 53.71 3df1 n LEU 4 Cb 0.48 0.09 0.00 0.00 0.00 0.00 0.00 43.42 44.00 3df1 n LEU 4 CO 0.47 1.04 0.00 0.29 0.00 0.00 0.00 177.39 179.19 3df1 n LYS 5 N -0.10 0.00 0.00 1.96 5.02 -1.26 -1.82 118.16 121.97 3df1 n LYS 5 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3df1 n LYS 5 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.93 3df1 n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3df1 n LYS 6 N 0.00 -0.13 -3.46 1.97 4.76 -1.26 -5.01 118.16 115.03 3df1 n LYS 6 Ca 0.00 -0.11 -0.43 0.00 -2.87 0.00 0.00 58.31 54.90 3df1 n LYS 6 Cb 0.00 -0.58 -0.05 0.00 -1.84 0.00 0.00 35.03 32.56 3df1 n LYS 6 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3df1 s GLY 7 N -0.01 2.44 -0.08 0.72 0.00 -0.75 -5.05 107.32 104.60 3df1 s GLY 7 Ca 0.00 -3.07 -0.33 0.00 0.00 0.00 0.00 44.72 41.32 3df1 s GLY 7 CO 0.00 1.19 1.93 -1.05 0.00 0.00 0.00 173.10 175.17 3df1 n PRO 8 N 4.18 2.29 -4.20 2.90 -0.02 -1.26 -4.95 135.00 133.94 3df1 n PRO 8 Ca 0.05 0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 62.08 3df1 n PRO 8 Cb 0.43 -2.75 -0.08 0.00 -0.02 0.00 0.00 33.50 31.08 3df1 n PRO 8 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3df1 s PHE 9 N 4.47 2.85 0.34 6.00 2.19 -1.26 -5.13 117.98 127.44 3df1 s PHE 9 Ca 0.93 -0.12 -0.07 0.00 0.33 0.00 0.00 56.93 58.00 3df1 s PHE 9 Cb -0.63 -1.41 0.01 0.00 -1.31 0.00 0.00 43.02 39.69 3df1 s PHE 9 CO 0.49 0.50 0.55 0.96 1.83 0.00 0.00 175.22 179.55 3df1 s ILE 10 N -1.60 0.00 0.21 3.12 -4.36 -1.26 -3.64 121.20 113.67 3df1 s ILE 10 Ca 0.26 -1.43 -0.09 0.00 -0.26 0.00 0.00 60.65 59.13 3df1 s ILE 10 Cb -0.10 -2.62 -0.07 0.00 1.25 0.00 0.00 42.46 40.92 3df1 s ILE 10 CO 0.18 0.00 0.51 -1.81 0.24 0.00 0.00 174.94 174.06 3df1 s ASP 11 N -3.16 6.61 0.06 4.36 -0.00 -1.26 -4.99 116.67 118.28 3df1 s ASP 11 Ca 0.26 0.86 -0.13 0.00 -0.00 0.00 0.00 52.55 53.53 3df1 s ASP 11 Cb -0.02 -2.20 -0.04 0.00 -0.00 0.00 0.00 42.92 40.66 3df1 s ASP 11 CO 0.16 -0.04 1.23 0.25 -0.00 0.00 0.00 175.17 176.78 3df1 h LEU 12 N 2.67 -0.84 -0.09 1.23 5.85 -2.00 -2.88 115.31 119.26 3df1 h LEU 12 Ca -0.47 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.38 3df1 h LEU 12 Cb 1.17 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 3df1 h LEU 12 CO 0.70 -0.14 -0.05 1.41 -0.34 0.00 0.00 178.44 180.02 3df1 n HIS 13 N -3.88 -0.04 -0.30 1.25 -0.00 -1.26 -0.14 115.22 110.86 3df1 n HIS 13 Ca -0.00 0.11 0.11 0.00 -0.00 0.00 0.00 57.72 57.93 3df1 n HIS 13 Cb 0.13 -0.37 0.28 0.00 -0.00 0.00 0.00 29.99 30.03 3df1 n HIS 13 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.34 177.71 3df1 h LEU 14 N 0.00 0.34 -2.02 2.41 8.10 -1.94 0.56 115.31 122.76 3df1 h LEU 14 Ca 0.01 0.14 0.02 0.00 0.11 0.00 0.00 57.88 58.16 3df1 h LEU 14 Cb 0.04 0.11 -0.00 0.00 -0.44 0.00 0.00 40.66 40.36 3df1 h LEU 14 CO -0.08 0.05 0.34 -0.07 -4.11 0.00 0.00 178.44 174.56 3df1 h LEU 15 N 0.44 0.00 0.00 0.17 3.38 -0.32 0.54 115.31 119.52 3df1 h LEU 15 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3df1 h LEU 15 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3df1 h LEU 15 CO -0.49 0.00 -1.28 0.29 0.09 0.00 0.00 178.44 177.05 3df1 n LYS 16 N -3.04 0.50 -0.11 1.13 4.76 0.16 -4.52 118.16 117.05 3df1 n LYS 16 Ca -0.01 -0.06 -0.19 0.00 -2.87 0.00 0.00 58.31 55.18 3df1 n LYS 16 Cb 0.41 -1.16 -0.07 0.00 -1.84 0.00 0.00 35.03 32.37 3df1 n LYS 16 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3df1 n LYS 17 N -1.72 0.55 0.22 1.97 4.76 0.10 -3.32 118.16 120.72 3df1 n LYS 17 Ca -0.01 0.37 0.07 0.00 -2.87 0.00 0.00 58.31 55.87 3df1 n LYS 17 Cb 0.19 -1.57 0.58 0.00 -1.84 0.00 0.00 35.03 32.38 3df1 n LYS 17 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 3df1 h VAL 18 N -1.00 1.05 0.00 -0.18 3.04 -0.25 0.17 116.25 119.07 3df1 h VAL 18 Ca -0.35 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 65.08 3df1 h VAL 18 Cb 1.23 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 3df1 h VAL 18 CO -0.21 0.06 -0.61 -0.33 -1.01 0.00 0.00 177.57 175.47 3df1 h GLU 19 N 0.06 0.00 0.10 4.17 3.07 -1.77 -3.31 114.58 116.90 3df1 h GLU 19 Ca 0.02 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.71 3df1 h GLU 19 Cb 0.08 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3df1 h GLU 19 CO 0.00 0.24 -0.70 -0.22 -1.40 0.00 0.00 179.01 176.93 3df1 h LYS 20 N 0.00 0.29 -0.29 2.33 3.11 -1.11 -3.20 116.57 117.70 3df1 h LYS 20 Ca -0.03 -0.45 0.08 0.00 -2.81 0.00 0.00 60.65 57.44 3df1 h LYS 20 Cb 1.25 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.62 3df1 h LYS 20 CO 0.03 1.19 0.39 0.00 -2.81 0.00 0.00 179.45 178.25 3df1 h ALA 21 N 0.13 1.90 -0.54 5.00 0.00 -0.85 -1.03 119.26 123.86 3df1 h ALA 21 Ca -0.12 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.88 3df1 h ALA 21 Cb 1.52 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 3df1 h ALA 21 CO 0.13 -0.53 0.13 0.28 0.00 0.00 0.00 179.25 179.26 3df1 h VAL 22 N 0.00 0.71 0.17 0.00 2.07 -1.64 0.40 116.25 117.96 3df1 h VAL 22 Ca 0.14 -0.09 -0.23 0.00 0.82 0.00 0.00 66.70 67.34 3df1 h VAL 22 Cb 0.91 0.41 0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3df1 h VAL 22 CO -0.00 0.05 -1.01 1.05 0.02 0.00 0.00 177.57 177.68 3df1 h GLU 23 N 0.27 0.35 0.00 1.57 -0.00 -1.38 -3.28 114.58 112.12 3df1 h GLU 23 Ca 0.28 -0.60 -0.01 0.00 -0.00 0.00 0.00 59.36 59.03 3df1 h GLU 23 Cb 0.37 0.22 -0.00 0.00 -0.00 0.00 0.00 28.75 29.35 3df1 h GLU 23 CO -0.34 1.29 -0.04 0.66 -0.00 0.00 0.00 179.01 180.58 3df1 h SER 24 N -0.25 0.00 -4.56 3.06 4.64 -1.31 -3.48 113.55 111.65 3df1 h SER 24 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3df1 h SER 24 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3df1 h SER 24 CO 0.17 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 3df1 n GLY 25 N -1.34 -0.10 3.70 -0.77 0.00 0.14 -4.93 105.19 101.90 3df1 n GLY 25 Ca -0.03 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3df1 n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df1 n ASP 26 N -1.09 3.08 0.00 1.61 9.92 -1.26 -4.82 116.55 123.98 3df1 n ASP 26 Ca 0.00 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 3df1 n ASP 26 Cb 0.00 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 38.98 3df1 n ASP 26 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3df1 n LYS 27 N 1.52 0.00 -1.07 -1.24 2.85 -1.26 -5.15 118.16 113.81 3df1 n LYS 27 Ca 0.08 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.02 3df1 n LYS 27 Cb 0.34 0.00 0.13 0.00 -0.65 0.00 0.00 35.03 34.85 3df1 n LYS 27 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3df1 s LYS 28 N 4.57 1.66 1.40 -1.58 0.00 -1.26 -4.67 119.74 119.86 3df1 s LYS 28 Ca 0.00 1.55 -0.23 0.00 0.00 0.00 0.00 55.97 57.30 3df1 s LYS 28 Cb 0.00 -1.80 0.36 0.00 0.00 0.00 0.00 37.83 36.39 3df1 s LYS 28 CO 0.00 -2.16 0.95 -1.25 0.00 0.00 0.00 175.35 172.90 3df1 s PRO 29 N -4.42 -2.77 -0.56 1.78 0.04 -1.26 -4.73 135.00 123.07 3df1 s PRO 29 Ca 0.68 0.09 -0.05 0.00 0.04 0.00 0.00 61.00 61.76 3df1 s PRO 29 Cb -0.24 -1.40 0.15 0.00 0.04 0.00 0.00 34.50 33.05 3df1 s PRO 29 CO 0.53 -4.76 0.39 -0.51 0.04 0.00 0.00 177.00 172.69 3df1 s LEU 30 N -7.75 5.45 -0.60 -3.56 1.43 -0.63 -4.71 118.68 108.31 3df1 s LEU 30 Ca 0.69 -2.47 -0.26 0.00 -1.03 0.00 0.00 54.13 51.05 3df1 s LEU 30 Cb -0.12 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 3df1 s LEU 30 CO 0.57 -0.49 2.00 -0.60 0.23 0.00 0.00 176.35 178.07 3df1 s ARG 31 N 0.50 2.48 0.18 1.70 6.06 -1.26 -0.45 118.95 128.16 3df1 s ARG 31 Ca 0.13 0.77 -0.17 0.00 -2.50 0.00 0.00 55.73 53.96 3df1 s ARG 31 Cb -0.21 -4.47 0.03 0.00 0.06 0.00 0.00 34.95 30.36 3df1 s ARG 31 CO -0.04 -2.92 0.49 0.95 -2.50 0.00 0.00 175.30 171.29 3df1 s THR 32 N 9.96 0.04 -1.52 4.11 -4.23 -0.74 -4.99 115.64 118.27 3df1 s THR 32 Ca 0.75 -0.73 0.18 0.00 -1.18 0.00 0.00 61.69 60.70 3df1 s THR 32 Cb -0.13 -1.48 0.51 0.00 1.34 0.00 0.00 72.50 72.74 3df1 s THR 32 CO 0.21 -0.16 1.43 0.79 -0.54 0.00 0.00 174.62 176.34 3df1 n TRP 33 N -0.31 0.78 -0.04 3.99 8.01 -1.26 -2.07 117.44 126.54 3df1 n TRP 33 Ca -0.11 -0.50 0.00 0.00 -1.31 0.00 0.00 57.50 55.57 3df1 n TRP 33 Cb 0.63 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.91 3df1 n TRP 33 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 3df1 n SER 34 N 1.17 2.60 -0.10 -0.99 3.41 -1.26 -4.04 113.62 114.41 3df1 n SER 34 Ca 0.19 -1.59 -0.11 0.00 -0.26 0.00 0.00 58.87 57.10 3df1 n SER 34 Cb 0.55 -0.53 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 3df1 n SER 34 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3df1 h ARG 35 N 1.91 0.86 0.00 4.33 0.11 -1.86 -2.47 114.38 117.26 3df1 h ARG 35 Ca 0.00 -0.43 0.00 0.00 0.10 0.00 0.00 59.98 59.65 3df1 h ARG 35 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 3df1 h ARG 35 CO 0.00 1.08 0.00 0.54 0.10 0.00 0.00 179.97 181.69 3df1 n ARG 36 N -4.06 0.14 -1.09 0.08 1.74 -1.26 0.75 116.66 112.97 3df1 n ARG 36 Ca -0.02 0.62 -0.23 0.00 -0.77 0.00 0.00 57.85 57.45 3df1 n ARG 36 Cb 0.52 -1.94 0.18 0.00 -1.02 0.00 0.00 32.46 30.20 3df1 n ARG 36 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3df1 n SER 37 N -2.24 -1.05 -4.58 0.55 7.64 -0.93 -4.83 113.62 108.19 3df1 n SER 37 Ca -0.01 -1.17 -0.27 0.00 1.01 0.00 0.00 58.87 58.43 3df1 n SER 37 Cb 0.05 -0.78 -0.09 0.00 -1.01 0.00 0.00 64.21 62.37 3df1 n SER 37 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3df1 s THR 38 N -2.84 3.24 0.51 0.44 2.01 -1.24 -0.92 115.64 116.85 3df1 s THR 38 Ca 0.56 -1.58 -0.18 0.00 0.31 0.00 0.00 61.69 60.80 3df1 s THR 38 Cb -0.04 -2.59 -0.07 0.00 0.01 0.00 0.00 72.50 69.81 3df1 s THR 38 CO 0.42 -0.07 1.02 -0.63 -0.69 0.00 0.00 174.62 174.66 3df1 s ILE 39 N -1.62 4.06 0.31 1.82 1.01 0.13 -4.62 121.20 122.29 3df1 s ILE 39 Ca 0.24 1.13 0.06 0.00 0.00 0.00 0.00 60.65 62.08 3df1 s ILE 39 Cb -0.09 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 3df1 s ILE 39 CO 0.15 -0.42 -0.01 -0.36 0.00 0.00 0.00 174.94 174.30 3df1 s PHE 40 N -2.28 2.05 0.17 3.97 0.40 -1.25 -4.31 117.98 116.72 3df1 s PHE 40 Ca 0.64 -0.78 -0.11 0.00 -0.60 0.00 0.00 56.93 56.08 3df1 s PHE 40 Cb -0.14 -1.27 0.07 0.00 0.51 0.00 0.00 43.02 42.19 3df1 s PHE 40 CO 0.26 0.22 1.71 -1.00 0.70 0.00 0.00 175.22 177.11 3df1 h PRO 41 N 2.14 0.92 0.00 0.24 0.13 -1.93 -2.25 132.00 131.25 3df1 h PRO 41 Ca -0.41 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3df1 h PRO 41 Cb 1.24 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3df1 h PRO 41 CO 0.70 0.81 0.00 0.27 -0.23 0.00 0.00 178.00 179.55 3df1 n ASN 42 N -4.42 0.00 -0.04 1.44 2.04 -1.26 -1.39 115.26 111.63 3df1 n ASN 42 Ca 0.03 -0.52 0.01 0.00 -0.44 0.00 0.00 54.58 53.66 3df1 n ASN 42 Cb 0.20 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.31 3df1 n ASN 42 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3df1 n MET 43 N -0.74 0.90 -1.54 -3.83 0.00 -0.85 -4.89 117.12 106.17 3df1 n MET 43 Ca 0.04 -0.09 -0.58 0.00 0.00 0.00 0.00 57.70 57.07 3df1 n MET 43 Cb 0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 33.22 31.73 3df1 n MET 43 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 175.97 177.48 3df1 n ILE 44 N -2.36 0.16 -0.78 2.02 3.06 -0.48 0.76 119.36 121.73 3df1 n ILE 44 Ca -0.15 -0.09 0.00 0.00 -2.50 0.00 0.00 62.75 60.02 3df1 n ILE 44 Cb 0.74 -1.07 0.00 0.00 0.54 0.00 0.00 39.64 39.86 3df1 n ILE 44 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3df1 n GLY 45 N 5.53 0.56 3.79 4.50 0.00 0.53 -4.89 105.19 115.22 3df1 n GLY 45 Ca 0.37 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 3df1 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3df1 s LEU 46 N 0.00 3.89 -0.19 0.99 2.01 0.23 -4.87 118.68 120.74 3df1 s LEU 46 Ca 0.00 0.07 -0.23 0.00 0.01 0.00 0.00 54.13 53.97 3df1 s LEU 46 Cb 0.00 -2.47 -0.02 0.00 0.01 0.00 0.00 46.19 43.71 3df1 s LEU 46 CO 0.00 0.20 0.75 0.42 1.01 0.00 0.00 176.35 178.73 3df1 s THR 47 N -1.34 4.93 -0.06 5.49 -4.23 -1.26 -3.58 115.64 115.59 3df1 s THR 47 Ca 0.28 1.45 0.01 0.00 -1.18 0.00 0.00 61.69 62.24 3df1 s THR 47 Cb -0.12 -4.06 0.02 0.00 1.34 0.00 0.00 72.50 69.68 3df1 s THR 47 CO 0.20 0.04 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.65 3df1 s ILE 48 N 2.19 0.57 -0.80 2.99 1.01 -1.21 -1.61 121.20 124.35 3df1 s ILE 48 Ca 0.34 -0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 3df1 s ILE 48 Cb -0.16 -0.62 0.13 0.00 0.01 0.00 0.00 42.46 41.82 3df1 s ILE 48 CO 0.11 0.25 0.96 0.00 0.00 0.00 0.00 174.94 176.26 3df1 s ALA 49 N 1.17 3.43 -0.36 9.38 0.00 0.40 -2.34 121.76 133.44 3df1 s ALA 49 Ca -0.07 -2.58 -0.22 0.00 0.00 0.00 0.00 51.96 49.09 3df1 s ALA 49 Cb -0.14 -3.84 0.01 0.00 0.00 0.00 0.00 23.12 19.15 3df1 s ALA 49 CO -0.01 -2.72 0.74 0.08 0.00 0.00 0.00 175.76 173.84 3df1 s VAL 50 N 2.57 4.78 -0.03 0.00 1.01 0.11 -1.79 120.40 127.05 3df1 s VAL 50 Ca 0.25 0.78 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 3df1 s VAL 50 Cb -0.12 -4.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 3df1 s VAL 50 CO -0.03 -0.40 1.53 -2.28 0.00 0.00 0.00 175.10 173.92 3df1 s HIS 51 N 2.97 2.44 0.00 5.22 2.46 -0.88 0.51 115.29 128.01 3df1 s HIS 51 Ca 0.29 0.51 0.00 0.00 0.47 0.00 0.00 55.06 56.33 3df1 s HIS 51 Cb -0.14 -3.80 0.00 0.00 -0.13 0.00 0.00 32.58 28.52 3df1 s HIS 51 CO 0.16 -3.15 0.00 0.27 -2.47 0.00 0.00 174.74 169.55 3df1 n ASN 52 N 6.21 0.00 0.00 9.88 6.94 0.56 -4.77 115.26 134.07 3df1 n ASN 52 Ca 0.15 0.14 0.00 0.00 -0.02 0.00 0.00 54.58 54.85 3df1 n ASN 52 Cb 0.43 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 3df1 n ASN 52 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3df1 n GLY 53 N 2.06 -0.04 0.13 4.83 0.00 -1.26 -4.90 105.19 106.00 3df1 n GLY 53 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3df1 n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3df1 n ARG 54 N -2.30 0.66 -0.15 1.61 1.85 -1.26 -5.06 116.66 112.01 3df1 n ARG 54 Ca 0.00 0.27 0.00 0.00 -1.00 0.00 0.00 57.85 57.12 3df1 n ARG 54 Cb 0.00 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 29.80 3df1 n ARG 54 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3df1 n GLN 55 N -3.70 0.00 -3.29 2.89 1.13 -1.26 -5.16 117.38 107.99 3df1 n GLN 55 Ca -0.41 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 54.45 3df1 n GLN 55 Cb 0.94 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 31.29 3df1 n GLN 55 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 3df1 s HIS 56 N -1.45 2.51 -0.11 1.08 3.76 -1.26 -0.33 115.29 119.49 3df1 s HIS 56 Ca 0.00 -0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 54.35 3df1 s HIS 56 Cb 0.00 -2.25 0.05 0.00 1.11 0.00 0.00 32.58 31.49 3df1 s HIS 56 CO 0.00 -0.40 0.26 0.14 -0.85 0.00 0.00 174.74 173.88 3df1 s VAL 57 N -2.47 -0.05 0.63 -0.90 -7.23 0.18 -4.81 120.40 105.75 3df1 s VAL 57 Ca 0.52 0.15 -0.15 0.00 -1.81 0.00 0.00 61.98 60.69 3df1 s VAL 57 Cb -0.06 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.46 3df1 s VAL 57 CO 0.31 0.06 1.08 -2.16 -0.31 0.00 0.00 175.10 174.08 3df1 s PRO 58 N 1.31 3.05 -0.07 4.82 0.04 -1.24 0.06 135.00 142.98 3df1 s PRO 58 Ca -0.09 1.29 -0.23 0.00 0.04 0.00 0.00 61.00 62.01 3df1 s PRO 58 Cb -0.10 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.49 3df1 s PRO 58 CO -0.09 -1.03 0.51 0.14 0.04 0.00 0.00 177.00 176.57 3df1 s VAL 59 N -2.42 0.02 -0.63 -0.36 -7.23 -0.99 -4.91 120.40 103.89 3df1 s VAL 59 Ca 0.65 -0.18 -0.08 0.00 -1.81 0.00 0.00 61.98 60.56 3df1 s VAL 59 Cb -0.18 -0.81 0.16 0.00 0.56 0.00 0.00 36.38 36.11 3df1 s VAL 59 CO 0.40 -0.10 0.50 0.12 -0.31 0.00 0.00 175.10 175.71 3df1 s PHE 60 N -0.95 3.52 0.47 2.82 2.19 -1.26 -3.28 117.98 121.48 3df1 s PHE 60 Ca -0.10 -2.22 -0.23 0.00 0.33 0.00 0.00 56.93 54.72 3df1 s PHE 60 Cb -0.03 -3.48 -0.09 0.00 -1.31 0.00 0.00 43.02 38.11 3df1 s PHE 60 CO 0.06 -0.94 0.97 0.28 1.83 0.00 0.00 175.22 177.42 3df1 n VAL 61 N 4.11 2.66 -3.99 3.12 0.31 -1.24 -4.66 118.33 118.65 3df1 n VAL 61 Ca 0.04 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 3df1 n VAL 61 Cb 0.41 -1.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 3df1 n VAL 61 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3df1 n THR 62 N -0.81 0.00 -0.18 2.52 -1.04 -1.26 0.20 114.28 113.71 3df1 n THR 62 Ca 0.10 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.02 3df1 n THR 62 Cb 0.41 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.93 3df1 n THR 62 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 3df1 h ASP 63 N 0.00 0.86 0.87 8.00 2.03 -1.96 -3.08 116.42 123.14 3df1 h ASP 63 Ca 0.00 -0.30 -0.19 0.00 -0.73 0.00 0.00 57.03 55.81 3df1 h ASP 63 Cb 0.00 -0.23 -0.03 0.00 -0.83 0.00 0.00 39.33 38.24 3df1 h ASP 63 CO 0.00 0.95 -0.89 1.05 -1.03 0.00 0.00 179.24 179.31 3df1 h GLU 64 N 0.75 0.01 -0.84 4.15 -0.00 -2.01 -3.29 114.58 113.36 3df1 h GLU 64 Ca 0.15 -0.02 0.02 0.00 -0.00 0.00 0.00 59.36 59.51 3df1 h GLU 64 Cb 0.50 0.01 -0.05 0.00 -0.00 0.00 0.00 28.75 29.20 3df1 h GLU 64 CO 0.02 0.90 0.54 0.52 -0.00 0.00 0.00 179.01 180.99 3df1 h MET 65 N 0.01 1.05 -0.07 1.06 2.86 -1.92 -1.89 114.93 116.02 3df1 h MET 65 Ca -0.01 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3df1 h MET 65 Cb 1.58 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 3df1 h MET 65 CO 0.12 0.69 0.37 -0.39 1.06 0.00 0.00 176.91 178.76 3df1 h VAL 66 N 1.08 0.06 -0.01 -2.22 -1.51 -1.60 0.48 116.25 112.53 3df1 h VAL 66 Ca 0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 3df1 h VAL 66 Cb -0.05 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 3df1 h VAL 66 CO -0.10 0.00 -0.41 0.61 -1.23 0.00 0.00 177.57 176.45 3df1 n GLY 67 N -1.27 -0.39 3.84 5.19 0.00 -0.71 -3.97 105.19 107.88 3df1 n GLY 67 Ca -0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 3df1 n GLY 67 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3df1 s HIS 68 N -2.55 2.20 0.78 1.61 3.76 0.17 -4.95 115.29 116.32 3df1 s HIS 68 Ca 0.20 -0.68 -0.12 0.00 -0.15 0.00 0.00 55.06 54.31 3df1 s HIS 68 Cb 0.18 -1.98 0.06 0.00 1.11 0.00 0.00 32.58 31.96 3df1 s HIS 68 CO 0.57 -0.16 1.11 0.15 -0.85 0.00 0.00 174.74 175.57 3df1 s LYS 69 N -4.11 2.20 0.01 1.40 -0.14 -1.26 0.21 119.74 118.04 3df1 s LYS 69 Ca 0.38 0.49 0.16 0.00 -1.36 0.00 0.00 55.97 55.64 3df1 s LYS 69 Cb -0.00 -1.94 -0.18 0.00 -1.68 0.00 0.00 37.83 34.02 3df1 s LYS 69 CO 0.22 -1.51 0.70 -0.11 -0.76 0.00 0.00 175.35 173.90 3df1 n LEU 70 N -3.33 0.77 -0.03 3.17 7.94 -0.09 -4.23 117.00 121.19 3df1 n LEU 70 Ca 0.07 0.35 -0.05 0.00 -1.11 0.00 0.00 56.01 55.27 3df1 n LEU 70 Cb 0.57 0.13 0.16 0.00 0.53 0.00 0.00 43.42 44.81 3df1 n LEU 70 CO 0.57 0.24 0.74 1.23 -1.11 0.00 0.00 177.39 179.05 3df1 h GLY 71 N 3.69 0.67 1.46 -3.96 0.00 0.20 -2.98 103.07 102.15 3df1 h GLY 71 Ca -0.23 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3df1 h GLY 71 CO 0.05 0.50 0.10 -1.84 0.00 0.00 0.00 176.54 175.36 3df1 n GLU 72 N -4.13 0.00 -2.42 4.80 0.28 -1.26 -1.95 120.64 115.96 3df1 n GLU 72 Ca 0.00 0.34 -0.33 0.00 -0.16 0.00 0.00 57.16 57.01 3df1 n GLU 72 Cb 0.41 -1.60 0.01 0.00 1.43 0.00 0.00 31.44 31.68 3df1 n GLU 72 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3df1 n PHE 73 N -1.33 3.30 -2.69 -1.84 3.01 -1.13 -4.74 117.46 112.04 3df1 n PHE 73 Ca 0.00 -2.95 -0.05 0.00 1.01 0.00 0.00 57.45 55.46 3df1 n PHE 73 Cb 0.10 -0.68 0.05 0.00 -0.01 0.00 0.00 39.48 38.95 3df1 n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3df1 n ALA 74 N -0.39 -3.03 -1.72 4.37 0.00 -0.82 -4.99 120.51 113.93 3df1 n ALA 74 Ca 0.43 -0.50 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 3df1 n ALA 74 Cb 0.41 -2.70 -0.03 0.00 0.00 0.00 0.00 19.45 17.14 3df1 n ALA 74 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3df1 s PRO 75 N 0.53 3.22 0.21 0.00 0.04 -1.26 -4.83 135.00 132.90 3df1 s PRO 75 Ca 0.27 1.88 0.11 0.00 0.04 0.00 0.00 61.00 63.29 3df1 s PRO 75 Cb 0.17 -4.31 0.02 0.00 0.04 0.00 0.00 34.50 30.42 3df1 s PRO 75 CO -0.12 -2.00 1.41 1.79 0.04 0.00 0.00 177.00 178.13 3df1 h THR 76 N 7.00 1.38 -3.18 1.26 1.35 -1.95 -3.45 112.91 115.32 3df1 h THR 76 Ca -0.39 -2.76 -0.54 0.00 -0.55 0.00 0.00 66.41 62.17 3df1 h THR 76 Cb 1.22 2.56 -0.00 0.00 -1.73 0.00 0.00 68.15 70.19 3df1 h THR 76 CO 0.98 0.75 0.58 0.00 -0.25 0.00 0.00 175.52 177.58 3df1 s ARG 77 N -2.98 4.42 -0.57 4.72 1.70 -1.26 -4.90 118.95 120.08 3df1 s ARG 77 Ca 0.01 1.72 -0.18 0.00 -0.47 0.00 0.00 55.73 56.82 3df1 s ARG 77 Cb 0.10 -3.41 0.11 0.00 -0.57 0.00 0.00 34.95 31.18 3df1 s ARG 77 CO 0.78 -0.29 0.62 0.99 -1.08 0.00 0.00 175.30 176.32 3df1 s THR 78 N 1.35 4.98 -0.68 4.99 2.01 -1.26 -5.01 115.64 122.02 3df1 s THR 78 Ca 0.58 -1.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 3df1 s THR 78 Cb -0.28 -4.42 0.18 0.00 0.01 0.00 0.00 72.50 68.00 3df1 s THR 78 CO 0.27 -1.00 0.56 -0.47 -0.69 0.00 0.00 174.62 173.29 3df1 s TYR 79 N 2.24 3.55 0.00 4.92 5.04 -1.26 -5.32 117.35 126.53 3df1 s TYR 79 Ca 0.08 -2.30 0.00 0.00 -2.44 0.00 0.00 57.07 52.41 3df1 s TYR 79 Cb -0.26 -3.50 0.00 0.00 0.35 0.00 0.00 41.96 38.55 3df1 s TYR 79 CO 0.05 -0.92 0.00 0.54 -1.34 0.00 0.00 175.55 173.88