#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 n ILE 20 N 0.00 -0.11 -3.39 6.31 -5.35 -1.26 -4.48 119.36 111.08 3df1 n ILE 20 Ca 0.00 -1.94 0.02 0.00 -0.27 0.00 0.00 62.75 60.56 3df1 n ILE 20 Cb 0.00 0.93 -0.05 0.00 -1.74 0.00 0.00 39.64 38.78 3df1 n ILE 20 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3df1 s ASP 21 N -1.60 -0.23 0.55 7.28 2.15 -1.26 -5.03 116.67 118.53 3df1 s ASP 21 Ca 0.32 0.33 0.24 0.00 0.43 0.00 0.00 52.55 53.87 3df1 s ASP 21 Cb 0.23 1.21 1.50 0.00 -0.30 0.00 0.00 42.92 45.56 3df1 s ASP 21 CO -0.21 -0.05 2.12 0.10 -0.17 0.00 0.00 175.17 176.97 3df1 h TYR 22 N 6.61 0.00 -0.52 -5.34 -0.00 -1.97 -1.53 116.97 114.22 3df1 h TYR 22 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.46 3df1 h TYR 22 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.85 3df1 h TYR 22 CO 0.20 0.00 -0.02 1.57 -0.00 0.00 0.00 178.16 179.91 3df1 h LYS 23 N 0.00 0.90 -3.28 0.10 5.09 -1.96 -3.26 116.57 114.16 3df1 h LYS 23 Ca 0.07 -0.27 -0.26 0.00 0.09 0.00 0.00 60.65 60.28 3df1 h LYS 23 Cb 0.34 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.58 3df1 h LYS 23 CO -0.00 0.91 1.80 -3.47 -2.09 0.00 0.00 179.45 176.60 3df1 n ASP 24 N -4.19 3.75 0.20 7.07 -0.08 -0.58 -4.57 116.55 118.15 3df1 n ASP 24 Ca 0.02 -2.19 0.09 0.00 -1.51 0.00 0.00 54.79 51.20 3df1 n ASP 24 Cb 0.33 -0.92 0.48 0.00 2.34 0.00 0.00 41.12 43.35 3df1 n ASP 24 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 3df1 h ILE 25 N 3.28 0.00 0.24 5.18 3.07 -1.79 -2.26 117.51 125.23 3df1 h ILE 25 Ca 0.34 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.73 3df1 h ILE 25 Cb 0.28 0.39 0.00 0.00 -0.27 0.00 0.00 36.82 37.22 3df1 h ILE 25 CO 1.13 0.00 -0.11 0.00 -1.05 0.00 0.00 178.15 178.11 3df1 h ALA 26 N 1.33 -0.32 -0.91 0.16 0.00 -1.93 -3.11 119.26 114.49 3df1 h ALA 26 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.83 3df1 h ALA 26 Cb 0.53 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 3df1 h ALA 26 CO 0.00 -0.33 0.57 1.15 0.00 0.00 0.00 179.25 180.64 3df1 h THR 27 N -1.02 1.03 -0.79 0.00 2.02 -1.81 -2.31 112.91 110.04 3df1 h THR 27 Ca -0.03 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3df1 h THR 27 Cb 0.40 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 3df1 h THR 27 CO 0.05 0.19 0.47 -0.07 0.37 0.00 0.00 175.52 176.53 3df1 h LEU 28 N 1.02 0.94 -0.32 2.58 3.38 -1.65 -1.46 115.31 119.81 3df1 h LEU 28 Ca 0.40 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3df1 h LEU 28 Cb 0.21 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3df1 h LEU 28 CO -0.19 0.72 0.09 0.29 0.09 0.00 0.00 178.44 179.45 3df1 n LYS 29 N -4.38 0.03 0.02 1.13 5.02 -0.87 0.29 118.16 119.41 3df1 n LYS 29 Ca 0.08 0.47 -0.09 0.00 -2.02 0.00 0.00 58.31 56.75 3df1 n LYS 29 Cb 0.07 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.25 3df1 n LYS 29 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3df1 h ASN 30 N 0.00 0.04 -0.90 4.39 4.21 -1.36 -3.33 115.58 118.63 3df1 h ASN 30 Ca 0.00 -0.06 -0.60 0.00 1.21 0.00 0.00 56.30 56.85 3df1 h ASN 30 Cb 0.18 -0.01 -0.32 0.00 -1.12 0.00 0.00 38.32 37.06 3df1 h ASN 30 CO 0.00 1.05 0.37 -1.22 -1.29 0.00 0.00 177.43 176.34 3df1 n TYR 31 N -3.23 2.97 -3.67 1.19 4.02 0.14 -4.89 117.16 113.70 3df1 n TYR 31 Ca -0.09 -2.66 -0.12 0.00 -0.01 0.00 0.00 57.90 55.02 3df1 n TYR 31 Cb 1.00 -1.08 -0.12 0.00 -0.02 0.00 0.00 39.34 39.12 3df1 n TYR 31 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3df1 s ILE 32 N -4.56 -0.38 0.00 -0.72 1.01 -1.15 -1.93 121.20 113.46 3df1 s ILE 32 Ca 0.60 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3df1 s ILE 32 Cb 0.48 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 42.47 3df1 s ILE 32 CO 0.01 0.10 0.00 0.35 0.00 0.00 0.00 174.94 175.40 3df1 n THR 33 N 5.16 0.00 0.07 2.92 -2.24 -0.78 -4.90 114.28 114.51 3df1 n THR 33 Ca -0.10 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 3df1 n THR 33 Cb 0.50 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 67.97 3df1 n THR 33 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3df1 h GLU 34 N 0.00 0.23 0.00 -0.78 3.07 -1.99 -3.26 114.58 111.85 3df1 h GLU 34 Ca 0.00 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3df1 h GLU 34 Cb 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3df1 h GLU 34 CO 0.00 1.11 0.00 0.43 -1.40 0.00 0.00 179.01 179.15 3df1 n SER 35 N -3.45 0.00 0.00 1.42 7.64 -1.26 -3.59 113.62 114.38 3df1 n SER 35 Ca -0.13 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.42 3df1 n SER 35 Cb 1.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.23 3df1 n SER 35 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df1 n GLY 36 N 0.20 2.65 3.77 0.23 0.00 -1.23 -3.73 105.19 107.08 3df1 n GLY 36 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3df1 n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df1 s LYS 37 N 0.00 3.88 0.58 1.61 -2.85 -1.26 -4.64 119.74 117.07 3df1 s LYS 37 Ca 0.00 2.33 -0.18 0.00 -1.00 0.00 0.00 55.97 57.13 3df1 s LYS 37 Cb 0.00 -2.76 -0.04 0.00 -2.06 0.00 0.00 37.83 32.97 3df1 s LYS 37 CO 0.00 -0.63 1.10 0.96 0.10 0.00 0.00 175.35 176.88 3df1 s ILE 38 N -1.21 3.37 0.15 3.79 -0.00 -1.26 -1.87 121.20 124.17 3df1 s ILE 38 Ca 0.58 0.75 -0.26 0.00 -0.00 0.00 0.00 60.65 61.71 3df1 s ILE 38 Cb -0.42 -3.26 -0.07 0.00 -0.00 0.00 0.00 42.46 38.70 3df1 s ILE 38 CO 0.54 -0.29 0.81 0.68 -0.00 0.00 0.00 174.94 176.69 3df1 s VAL 39 N -2.08 4.41 0.76 8.37 -7.23 -0.81 -4.85 120.40 118.97 3df1 s VAL 39 Ca 0.69 1.77 -0.15 0.00 -1.81 0.00 0.00 61.98 62.48 3df1 s VAL 39 Cb -0.21 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.56 3df1 s VAL 39 CO 0.32 0.47 0.78 -2.65 -0.31 0.00 0.00 175.10 173.72 3df1 n PRO 40 N 1.93 0.30 0.30 4.82 -0.02 -1.26 -4.87 135.00 136.20 3df1 n PRO 40 Ca -0.04 0.15 0.19 0.00 -2.02 0.00 0.00 63.50 61.78 3df1 n PRO 40 Cb 0.49 -2.07 0.96 0.00 -0.02 0.00 0.00 33.50 32.85 3df1 n PRO 40 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3df1 h SER 41 N -0.54 0.00 0.09 2.55 4.64 -1.96 -3.07 113.55 115.27 3df1 h SER 41 Ca -0.46 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3df1 h SER 41 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3df1 h SER 41 CO 0.44 0.03 -0.04 0.08 -0.87 0.00 0.00 176.83 176.46 3df1 h ARG 42 N 0.00 -0.11 -0.43 4.77 0.11 -1.89 0.27 114.38 117.09 3df1 h ARG 42 Ca -0.00 0.01 0.12 0.00 0.10 0.00 0.00 59.98 60.21 3df1 h ARG 42 Cb 0.20 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 3df1 h ARG 42 CO 0.00 0.32 0.50 0.82 0.10 0.00 0.00 179.97 181.71 3df1 h ILE 43 N -0.95 0.31 0.00 0.08 2.04 -1.90 0.48 117.51 117.56 3df1 h ILE 43 Ca -0.01 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.70 3df1 h ILE 43 Cb 0.49 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3df1 h ILE 43 CO 0.02 0.00 -2.02 0.41 0.00 0.00 0.00 178.15 176.56 3df1 n THR 44 N -3.61 0.64 -1.81 -0.27 -1.04 -1.17 -4.98 114.28 102.05 3df1 n THR 44 Ca 0.08 -0.65 -0.15 0.00 -2.04 0.00 0.00 64.05 61.29 3df1 n THR 44 Cb 0.68 -0.26 -0.04 0.00 -1.82 0.00 0.00 70.33 68.89 3df1 n THR 44 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3df1 n GLY 45 N 1.44 0.79 3.92 3.41 0.00 0.17 -4.99 105.19 109.94 3df1 n GLY 45 Ca -0.14 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 3df1 n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3df1 s THR 46 N -2.66 4.83 0.43 2.61 -1.32 -0.82 -5.01 115.64 113.70 3df1 s THR 46 Ca 0.00 -0.10 -0.25 0.00 -1.21 0.00 0.00 61.69 60.13 3df1 s THR 46 Cb 0.00 -3.81 -0.08 0.00 -1.51 0.00 0.00 72.50 67.10 3df1 s THR 46 CO 0.00 -0.68 1.33 -0.13 -2.21 0.00 0.00 174.62 172.92 3df1 s ARG 47 N -4.60 3.81 0.27 7.08 0.52 -1.26 -4.81 118.95 119.97 3df1 s ARG 47 Ca 0.45 2.19 -0.01 0.00 -0.52 0.00 0.00 55.73 57.85 3df1 s ARG 47 Cb -0.10 -2.66 0.38 0.00 0.52 0.00 0.00 34.95 33.09 3df1 s ARG 47 CO 0.41 -0.63 1.79 0.00 0.02 0.00 0.00 175.30 176.89 3df1 h ALA 48 N 2.44 1.17 -0.87 2.13 0.00 -1.96 0.66 119.26 122.82 3df1 h ALA 48 Ca -0.50 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.21 3df1 h ALA 48 Cb 1.26 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 3df1 h ALA 48 CO 0.62 0.55 0.56 -0.22 0.00 0.00 0.00 179.25 180.75 3df1 h LYS 49 N 0.74 1.04 0.05 0.00 3.64 -2.01 -1.72 116.57 118.31 3df1 h LYS 49 Ca 0.15 -0.06 -0.27 0.00 -1.27 0.00 0.00 60.65 59.20 3df1 h LYS 49 Cb 0.38 -0.24 0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3df1 h LYS 49 CO 0.01 0.69 -1.07 1.88 -2.27 0.00 0.00 179.45 178.69 3df1 h TYR 50 N 1.07 0.98 -0.82 1.91 0.99 -1.84 -3.29 116.97 115.98 3df1 h TYR 50 Ca 0.36 -0.57 0.14 0.00 2.00 0.00 0.00 58.73 60.66 3df1 h TYR 50 Cb 0.04 -0.10 -0.09 0.00 1.00 0.00 0.00 36.73 37.58 3df1 h TYR 50 CO -0.02 1.41 0.40 0.37 -0.00 0.00 0.00 178.16 180.32 3df1 h GLN 51 N 0.28 0.57 0.44 4.88 5.75 -0.45 0.13 115.11 126.71 3df1 h GLN 51 Ca -0.15 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 3df1 h GLN 51 Cb 1.74 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 30.17 3df1 h GLN 51 CO 0.21 0.37 -0.21 0.00 -2.65 0.00 0.00 178.83 176.55 3df1 h ARG 52 N 0.58 -0.57 -0.85 1.69 3.08 -1.40 0.75 114.38 117.66 3df1 h ARG 52 Ca 0.45 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.67 3df1 h ARG 52 Cb 0.63 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 3df1 h ARG 52 CO -0.37 -0.38 0.55 0.37 -1.07 0.00 0.00 179.97 179.08 3df1 h GLN 53 N -0.60 0.64 0.52 0.04 4.15 -1.60 -1.62 115.11 116.64 3df1 h GLN 53 Ca -0.06 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 3df1 h GLN 53 Cb 0.46 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.01 3df1 h GLN 53 CO 0.10 0.42 -0.25 1.25 -1.93 0.00 0.00 178.83 178.42 3df1 h LEU 54 N 0.65 -0.60 -0.92 -2.39 6.46 -0.59 -3.10 115.31 114.82 3df1 h LEU 54 Ca 0.42 0.02 0.26 0.00 -0.12 0.00 0.00 57.88 58.46 3df1 h LEU 54 Cb 0.69 0.15 -0.14 0.00 -0.73 0.00 0.00 40.66 40.63 3df1 h LEU 54 CO -0.18 -0.29 0.36 0.00 -0.62 0.00 0.00 178.44 177.70 3df1 h ALA 55 N -1.41 1.50 -0.41 1.25 0.00 0.85 0.44 119.26 121.49 3df1 h ALA 55 Ca -0.07 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3df1 h ALA 55 Cb 0.54 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3df1 h ALA 55 CO 0.12 -0.48 0.27 0.00 0.00 0.00 0.00 179.25 179.16 3df1 h ARG 56 N 0.27 0.48 -0.42 0.00 3.08 -1.34 -2.03 114.38 114.42 3df1 h ARG 56 Ca 0.61 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.64 3df1 h ARG 56 Cb 1.28 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 3df1 h ARG 56 CO -0.63 0.32 0.27 0.00 -1.07 0.00 0.00 179.97 178.86 3df1 h ALA 57 N 1.76 0.53 -0.82 0.04 0.00 -0.03 -1.96 119.26 118.77 3df1 h ALA 57 Ca 0.16 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.15 3df1 h ALA 57 Cb 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 3df1 h ALA 57 CO -0.04 -0.03 0.45 0.82 0.00 0.00 0.00 179.25 180.46 3df1 h ILE 58 N 0.56 0.86 0.29 0.00 5.03 -1.30 0.84 117.51 123.79 3df1 h ILE 58 Ca 0.15 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.63 3df1 h ILE 58 Cb -0.05 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 33.80 3df1 h ILE 58 CO -0.04 0.13 -0.14 0.11 -0.68 0.00 0.00 178.15 177.53 3df1 h LYS 59 N 0.73 -0.38 -0.94 2.37 1.57 -1.25 0.36 116.57 119.05 3df1 h LYS 59 Ca 0.41 0.03 0.25 0.00 -1.87 0.00 0.00 60.65 59.46 3df1 h LYS 59 Cb 0.43 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.77 3df1 h LYS 59 CO -0.28 -0.25 0.65 0.07 -0.57 0.00 0.00 179.45 179.07 3df1 h ARG 60 N -0.39 0.17 -0.29 3.15 0.11 -1.22 0.17 114.38 116.08 3df1 h ARG 60 Ca -0.04 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 59.88 3df1 h ARG 60 Cb 0.30 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 31.34 3df1 h ARG 60 CO 0.06 0.11 -0.43 0.00 0.10 0.00 0.00 179.97 179.81 3df1 h ALA 61 N 1.57 0.44 0.00 0.08 0.00 -0.63 -2.87 119.26 117.84 3df1 h ALA 61 Ca 0.47 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3df1 h ALA 61 Cb 1.57 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3df1 h ALA 61 CO -0.09 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 3df1 h ARG 62 N 0.56 0.00 -0.06 0.00 3.08 0.16 -0.67 114.38 117.44 3df1 h ARG 62 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3df1 h ARG 62 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3df1 h ARG 62 CO 0.10 0.03 0.00 0.66 -1.07 0.00 0.00 179.97 179.69 3df1 n TYR 63 N -3.84 0.07 -1.36 3.04 0.53 -0.91 -3.14 117.16 111.55 3df1 n TYR 63 Ca -0.03 -0.04 0.07 0.00 -1.02 0.00 0.00 57.90 56.89 3df1 n TYR 63 Cb 0.12 0.00 0.12 0.00 -1.03 0.00 0.00 39.34 38.55 3df1 n TYR 63 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 3df1 n LEU 64 N -0.30 1.94 -2.30 7.72 4.32 -0.29 -4.96 117.00 123.12 3df1 n LEU 64 Ca 0.17 -2.80 -0.12 0.00 -0.02 0.00 0.00 56.01 53.24 3df1 n LEU 64 Cb 0.21 -0.35 -0.01 0.00 -1.62 0.00 0.00 43.42 41.64 3df1 n LEU 64 CO 0.13 0.72 -0.15 -0.24 -1.22 0.00 0.00 177.39 176.63 3df1 n SER 65 N -1.07 -3.75 -0.15 -1.43 2.88 -1.19 -4.77 113.62 104.14 3df1 n SER 65 Ca 0.13 0.21 0.11 0.00 -1.33 0.00 0.00 58.87 58.00 3df1 n SER 65 Cb 0.68 -3.23 0.03 0.00 -0.75 0.00 0.00 64.21 60.94 3df1 n SER 65 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3df1 n LEU 66 N -2.67 1.17 -3.75 2.46 4.77 -0.99 -4.93 117.00 113.06 3df1 n LEU 66 Ca -0.14 -0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 55.26 3df1 n LEU 66 Cb 0.58 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3df1 n LEU 66 CO 0.17 0.25 0.04 -0.76 -1.33 0.00 0.00 177.39 175.76 3df1 s LEU 67 N -2.82 0.78 0.03 2.23 1.43 -1.24 -4.92 118.68 114.18 3df1 s LEU 67 Ca 0.13 0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 3df1 s LEU 67 Cb 0.17 1.34 -0.05 0.00 0.03 0.00 0.00 46.19 47.68 3df1 s LEU 67 CO 0.73 -0.47 0.86 -2.16 0.23 0.00 0.00 176.35 175.54 3df1 s PRO 68 N -1.43 4.56 0.17 1.29 0.04 -1.26 -4.48 135.00 133.89 3df1 s PRO 68 Ca -0.13 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.04 3df1 s PRO 68 Cb -0.05 -3.41 0.07 0.00 0.04 0.00 0.00 34.50 31.16 3df1 s PRO 68 CO 0.04 0.14 1.69 1.88 0.04 0.00 0.00 177.00 180.79 3df1 h TYR 69 N 6.11 1.00 -3.73 0.56 -1.99 -1.89 -3.42 116.97 113.60 3df1 h TYR 69 Ca -0.42 -0.11 -0.25 0.00 2.00 0.00 0.00 58.73 59.94 3df1 h TYR 69 Cb 1.21 -0.28 -0.06 0.00 2.00 0.00 0.00 36.73 39.59 3df1 h TYR 69 CO 0.66 0.84 -0.16 0.25 -0.00 0.00 0.00 178.16 179.74 3df1 n THR 70 N -4.37 0.00 0.48 -2.88 -2.24 -1.25 -4.34 114.28 99.68 3df1 n THR 70 Ca 0.03 -1.52 0.13 0.00 -2.27 0.00 0.00 64.05 60.42 3df1 n THR 70 Cb 0.23 0.90 0.42 0.00 -2.10 0.00 0.00 70.33 69.77 3df1 n THR 70 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3df1 h ASP 71 N 1.60 0.00 0.00 3.42 3.04 -1.64 -3.37 116.42 119.46 3df1 h ASP 71 Ca -0.21 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.58 3df1 h ASP 71 Cb 0.96 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.25 3df1 h ASP 71 CO 0.29 0.00 0.00 -1.14 -2.04 0.00 0.00 179.24 176.35 3df1 n ARG 72 N -2.46 0.00 0.00 4.15 0.63 -1.26 -5.08 116.66 112.64 3df1 n ARG 72 Ca 0.04 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 3df1 n ARG 72 Cb 0.38 -0.57 0.00 0.00 0.45 0.00 0.00 32.46 32.72 3df1 n ARG 72 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84