#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f72 n GLY 11 N 0.00 1.29 2.65 4.97 0.00 -1.26 -5.14 105.19 107.71 3f72 n GLY 11 Ca 0.00 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 3f72 n GLY 11 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f72 s TYR 12 N 4.05 0.14 -1.41 1.61 5.04 -1.26 -4.92 117.35 120.59 3f72 s TYR 12 Ca 0.00 0.03 -0.01 0.00 -2.44 0.00 0.00 57.07 54.65 3f72 s TYR 12 Cb 0.00 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.74 3f72 s TYR 12 CO 0.00 -0.31 0.38 -0.25 -1.34 0.00 0.00 175.55 174.03 3f72 n ASP 13 N 5.29 -0.37 0.24 4.32 9.92 -1.26 -4.83 116.55 129.85 3f72 n ASP 13 Ca -0.05 -1.04 0.11 0.00 -0.53 0.00 0.00 54.79 53.28 3f72 n ASP 13 Cb 0.50 -2.88 0.58 0.00 -0.64 0.00 0.00 41.12 38.68 3f72 n ASP 13 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3f72 h GLU 14 N -1.84 0.00 0.61 -1.24 4.39 -1.99 -2.36 114.58 112.15 3f72 h GLU 14 Ca -0.64 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.03 3f72 h GLU 14 Cb 1.38 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.03 3f72 h GLU 14 CO 0.63 0.19 -0.29 1.49 -1.16 0.00 0.00 179.01 179.86 3f72 h GLU 15 N 0.00 -0.79 -0.28 2.33 4.22 -2.00 -2.69 114.58 115.37 3f72 h GLU 15 Ca -0.00 0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.55 3f72 h GLU 15 Cb 0.56 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 3f72 h GLU 15 CO 0.02 -0.53 -0.13 0.87 -2.18 0.00 0.00 179.01 177.07 3f72 h LYS 16 N -1.01 -0.08 0.15 1.92 1.57 -1.94 -1.51 116.57 115.67 3f72 h LYS 16 Ca -0.08 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3f72 h LYS 16 Cb 0.63 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3f72 h LYS 16 CO 0.14 -0.05 -0.07 0.28 -0.57 0.00 0.00 179.45 179.17 3f72 h VAL 17 N -0.08 0.95 -0.10 0.50 2.07 -1.49 0.23 116.25 118.32 3f72 h VAL 17 Ca 0.15 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 3f72 h VAL 17 Cb 0.31 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3f72 h VAL 17 CO -0.34 0.09 -0.34 0.78 0.02 0.00 0.00 177.57 177.78 3f72 h ASN 18 N -0.38 0.21 0.33 0.57 2.35 -1.47 -0.10 115.58 117.07 3f72 h ASN 18 Ca -0.02 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3f72 h ASN 18 Cb 0.30 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3f72 h ASN 18 CO 0.03 0.54 -0.23 -0.09 -1.65 0.00 0.00 177.43 176.03 3f72 h ARG 19 N 0.18 -0.54 -0.09 0.81 2.43 -1.03 0.18 114.38 116.32 3f72 h ARG 19 Ca 0.02 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3f72 h ARG 19 Cb 0.69 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 3f72 h ARG 19 CO 0.05 -0.36 -0.19 0.82 -1.51 0.00 0.00 179.97 178.78 3f72 h ILE 20 N -0.56 1.18 -0.56 1.20 2.04 -0.37 0.13 117.51 120.58 3f72 h ILE 20 Ca -0.03 -0.85 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3f72 h ILE 20 Cb 0.48 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 3f72 h ILE 20 CO 0.01 0.25 0.24 1.56 0.00 0.00 0.00 178.15 180.21 3f72 h GLN 21 N 0.14 0.82 0.18 2.37 4.20 -0.88 -0.14 115.11 121.80 3f72 h GLN 21 Ca 0.03 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3f72 h GLN 21 Cb 0.42 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3f72 h GLN 21 CO 0.03 0.70 -0.14 0.78 -0.67 0.00 0.00 178.83 179.52 3f72 h GLY 22 N 0.76 -0.32 -0.94 3.46 0.00 -0.24 -1.49 103.07 104.29 3f72 h GLY 22 Ca 0.19 0.16 0.18 0.00 0.00 0.00 0.00 47.33 47.86 3f72 h GLY 22 CO -0.02 -0.14 -0.28 -0.55 0.00 0.00 0.00 176.54 175.54 3f72 h ASP 23 N -0.33 -1.05 1.25 0.19 3.32 -0.39 -2.54 116.42 116.87 3f72 h ASP 23 Ca -0.01 0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 3f72 h ASP 23 Cb 0.30 0.64 -0.00 0.00 0.22 0.00 0.00 39.33 40.49 3f72 h ASP 23 CO -0.01 -0.31 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.08 3f72 h LEU 24 N -0.00 0.00 -1.73 1.55 3.38 -0.32 -1.04 115.31 117.15 3f72 h LEU 24 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3f72 h LEU 24 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3f72 h LEU 24 CO -0.99 0.04 0.00 1.56 0.09 0.00 0.00 178.44 179.15 3f72 h GLN 25 N 0.00 0.00 -0.01 1.13 4.20 -0.85 -3.27 115.11 116.31 3f72 h GLN 25 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3f72 h GLN 25 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.46 3f72 h GLN 25 CO 0.01 0.00 -0.05 0.25 -0.67 0.00 0.00 178.83 178.37 3f72 n THR 26 N -3.00 0.00 -4.11 -0.54 -2.24 -0.39 -4.91 114.28 99.08 3f72 n THR 26 Ca -0.00 -0.18 -0.15 0.00 -2.27 0.00 0.00 64.05 61.45 3f72 n THR 26 Cb 0.24 0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 3f72 n THR 26 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3f72 s VAL 27 N -2.12 0.77 -0.63 2.28 0.11 -1.23 -5.09 120.40 114.48 3f72 s VAL 27 Ca 0.36 -1.25 -0.11 0.00 -2.93 0.00 0.00 61.98 58.05 3f72 s VAL 27 Cb 0.21 -0.88 0.16 0.00 -1.53 0.00 0.00 36.38 34.34 3f72 s VAL 27 CO 0.38 -0.38 0.54 -0.62 -3.33 0.00 0.00 175.10 171.69 3f72 s ASP 28 N -1.79 6.08 0.06 3.54 2.15 -1.26 -4.86 116.67 120.59 3f72 s ASP 28 Ca -0.05 -2.31 0.10 0.00 0.43 0.00 0.00 52.55 50.72 3f72 s ASP 28 Cb -0.08 -2.09 -0.20 0.00 -0.30 0.00 0.00 42.92 40.24 3f72 s ASP 28 CO 0.01 -0.63 1.03 -0.29 -0.17 0.00 0.00 175.17 175.12 3f72 h ILE 29 N 5.48 1.29 -0.66 4.11 6.09 -1.99 -3.06 117.51 128.77 3f72 h ILE 29 Ca -0.09 -3.03 0.03 0.00 -1.37 0.00 0.00 64.86 60.40 3f72 h ILE 29 Cb 1.05 2.63 -0.04 0.00 0.47 0.00 0.00 36.82 40.92 3f72 h ILE 29 CO 0.84 0.74 0.41 -1.28 -3.07 0.00 0.00 178.15 175.78 3f72 h SER 30 N 0.00 0.66 -0.91 2.19 0.87 -2.00 -2.44 113.55 111.92 3f72 h SER 30 Ca -0.12 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.52 3f72 h SER 30 Cb 1.84 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 63.60 3f72 h SER 30 CO 0.10 0.45 0.59 1.23 -0.53 0.00 0.00 176.83 178.68 3f72 h GLY 31 N 0.79 1.34 0.76 5.77 0.00 -1.96 -2.72 103.07 107.05 3f72 h GLY 31 Ca 0.27 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 3f72 h GLY 31 CO -0.12 0.28 -0.36 -2.08 0.00 0.00 0.00 176.54 174.26 3f72 h VAL 32 N 1.01 0.26 -0.79 4.60 2.07 -1.41 -2.37 116.25 119.62 3f72 h VAL 32 Ca 0.40 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.09 3f72 h VAL 32 Cb 0.25 0.26 -0.11 0.00 -1.52 0.00 0.00 31.29 30.17 3f72 h VAL 32 CO -0.16 0.00 0.28 0.28 0.02 0.00 0.00 177.57 177.99 3f72 h SER 33 N -0.84 0.19 -0.02 0.57 0.02 -1.41 -0.56 113.55 111.50 3f72 h SER 33 Ca -0.05 0.14 -0.21 0.00 -0.84 0.00 0.00 61.79 60.82 3f72 h SER 33 Cb 0.71 0.14 0.02 0.00 0.14 0.00 0.00 62.40 63.41 3f72 h SER 33 CO 0.02 0.02 -0.82 -0.61 -1.14 0.00 0.00 176.83 174.30 3f72 h GLN 34 N 0.37 0.59 -0.18 3.45 4.15 -1.38 0.57 115.11 122.67 3f72 h GLN 34 Ca 0.46 -0.61 0.02 0.00 0.77 0.00 0.00 58.65 59.28 3f72 h GLN 34 Cb 0.78 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 3f72 h GLN 34 CO -0.48 1.22 0.07 0.97 -1.93 0.00 0.00 178.83 178.68 3f72 h ILE 35 N 0.20 0.97 -0.08 2.39 2.10 -1.32 -1.98 117.51 119.79 3f72 h ILE 35 Ca -0.10 -0.06 -0.15 0.00 1.08 0.00 0.00 64.86 65.64 3f72 h ILE 35 Cb 1.50 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.01 3f72 h ILE 35 CO 0.16 0.03 -0.60 -0.07 -1.08 0.00 0.00 178.15 176.60 3f72 h LEU 36 N 0.17 0.32 -0.72 2.19 3.38 -0.99 -2.77 115.31 116.89 3f72 h LEU 36 Ca 0.08 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3f72 h LEU 36 Cb 0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 3f72 h LEU 36 CO -0.07 0.84 0.48 0.50 0.09 0.00 0.00 178.44 180.27 3f72 h LYS 37 N 0.21 0.94 -0.91 1.13 1.63 0.12 -0.97 116.57 118.72 3f72 h LYS 37 Ca -0.00 -0.06 0.09 0.00 -0.85 0.00 0.00 60.65 59.83 3f72 h LYS 37 Cb 1.10 -0.21 -0.07 0.00 -0.60 0.00 0.00 32.23 32.46 3f72 h LYS 37 CO 0.09 0.62 0.59 0.00 -3.45 0.00 0.00 179.45 177.31 3f72 h ALA 38 N 1.26 1.59 0.00 5.00 0.00 -1.08 -2.99 119.26 123.05 3f72 h ALA 38 Ca 0.26 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 3f72 h ALA 38 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3f72 h ALA 38 CO -0.06 0.23 -1.02 -0.84 0.00 0.00 0.00 179.25 177.56 3f72 h ILE 39 N 0.94 1.40 -0.23 0.00 3.07 -1.25 -3.38 117.51 118.06 3f72 h ILE 39 Ca 0.42 -3.06 -0.03 0.00 1.55 0.00 0.00 64.86 63.75 3f72 h ILE 39 Cb 0.37 2.68 -0.01 0.00 -0.27 0.00 0.00 36.82 39.59 3f72 h ILE 39 CO -0.18 0.80 0.02 0.00 -1.05 0.00 0.00 178.15 177.74 3f72 h ALA 40 N 1.11 1.62 -2.06 0.16 0.00 -1.03 -2.99 119.26 116.08 3f72 h ALA 40 Ca -0.05 -0.12 -0.62 0.00 0.00 0.00 0.00 54.91 54.12 3f72 h ALA 40 Cb 1.73 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 19.47 3f72 h ALA 40 CO 0.11 0.29 0.69 -3.47 0.00 0.00 0.00 179.25 176.87 3f72 n ASP 41 N -4.37 2.61 -0.28 0.00 2.03 -1.25 -4.81 116.55 110.47 3f72 n ASP 41 Ca 0.00 1.09 0.03 0.00 0.52 0.00 0.00 54.79 56.44 3f72 n ASP 41 Cb 0.18 -1.34 0.12 0.00 -0.72 0.00 0.00 41.12 39.35 3f72 n ASP 41 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3f72 h GLU 42 N 5.58 0.02 0.10 -0.67 4.57 -1.96 0.97 114.58 123.18 3f72 h GLU 42 Ca -0.46 -0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.44 3f72 h GLU 42 Cb 1.28 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3f72 h GLU 42 CO 0.85 0.01 -1.33 -0.91 -1.18 0.00 0.00 179.01 176.46 3f72 h ASN 43 N 0.02 0.33 0.39 1.04 4.21 -1.92 -0.09 115.58 119.57 3f72 h ASN 43 Ca 0.40 -0.40 -0.11 0.00 1.21 0.00 0.00 56.30 57.40 3f72 h ASN 43 Cb 0.64 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 3f72 h ASN 43 CO -0.80 1.32 -0.47 0.03 -1.29 0.00 0.00 177.43 176.22 3f72 h ARG 44 N 0.06 0.10 -0.30 0.81 3.08 -1.74 2.99 114.38 119.37 3f72 h ARG 44 Ca -0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 3f72 h ARG 44 Cb 1.96 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.00 3f72 h ARG 44 CO 0.17 0.55 0.18 0.00 -1.07 0.00 0.00 179.97 179.81 3f72 h ALA 45 N 1.44 0.39 0.27 0.04 0.00 0.11 1.55 119.26 123.06 3f72 h ALA 45 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3f72 h ALA 45 Cb 0.87 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 3f72 h ALA 45 CO 0.07 -0.10 -0.39 0.87 0.00 0.00 0.00 179.25 179.69 3f72 h LYS 46 N 0.38 -0.69 -0.46 0.00 1.57 -0.52 1.07 116.57 117.92 3f72 h LYS 46 Ca 0.11 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.03 3f72 h LYS 46 Cb 0.03 0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 3f72 h LYS 46 CO -0.02 -0.46 -0.18 0.82 -0.57 0.00 0.00 179.45 179.04 3f72 h ILE 47 N -0.72 0.43 0.51 1.86 5.03 0.56 0.13 117.51 125.32 3f72 h ILE 47 Ca -0.01 0.00 -0.03 0.00 -0.12 0.00 0.00 64.86 64.71 3f72 h ILE 47 Cb 0.68 0.43 0.01 0.00 -3.03 0.00 0.00 36.82 34.91 3f72 h ILE 47 CO -0.13 0.00 -0.25 0.74 -0.68 0.00 0.00 178.15 177.83 3f72 h THR 48 N -0.08 0.50 -0.48 -0.27 2.02 0.30 -2.51 112.91 112.39 3f72 h THR 48 Ca 0.22 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.47 3f72 h THR 48 Cb 0.42 0.51 -0.10 0.00 -1.74 0.00 0.00 68.15 67.24 3f72 h THR 48 CO -0.51 0.01 -0.24 0.22 0.37 0.00 0.00 175.52 175.36 3f72 h TYR 49 N -0.71 -0.62 -0.68 3.16 5.03 0.16 -2.66 116.97 120.65 3f72 h TYR 49 Ca -0.07 0.06 0.14 0.00 2.58 0.00 0.00 58.73 61.43 3f72 h TYR 49 Cb 0.54 0.35 -0.10 0.00 1.55 0.00 0.00 36.73 39.06 3f72 h TYR 49 CO -0.04 -0.32 0.16 0.00 -1.32 0.00 0.00 178.16 176.64 3f72 h ALA 50 N 1.15 0.84 0.00 1.82 0.00 -0.45 0.93 119.26 123.55 3f72 h ALA 50 Ca 0.22 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3f72 h ALA 50 Cb 0.49 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3f72 h ALA 50 CO -0.57 -0.31 0.00 1.28 0.00 0.00 0.00 179.25 179.65 3f72 n LEU 51 N -5.14 0.00 0.09 0.00 4.77 -0.97 -3.23 117.00 112.51 3f72 n LEU 51 Ca 0.12 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 3f72 n LEU 51 Cb 0.39 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.14 3f72 n LEU 51 CO 0.15 -0.16 0.11 0.00 -1.33 0.00 0.00 177.39 176.15 3f72 n GLN 53 N -3.61 0.42 -2.87 0.00 6.02 -1.20 -4.94 117.38 111.20 3f72 n GLN 53 Ca -0.06 0.49 -0.41 0.00 -0.01 0.00 0.00 57.00 57.01 3f72 n GLN 53 Cb 0.91 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 30.53 3f72 n GLN 53 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3f72 s ASP 54 N -5.55 7.00 0.39 1.08 -0.00 -1.21 -4.98 116.67 113.40 3f72 s ASP 54 Ca -0.14 1.22 0.13 0.00 -0.00 0.00 0.00 52.55 53.76 3f72 s ASP 54 Cb 0.02 -2.47 0.94 0.00 -0.00 0.00 0.00 42.92 41.42 3f72 s ASP 54 CO 0.21 -0.39 1.87 1.05 -0.00 0.00 0.00 175.17 177.91 3f72 h GLU 55 N 7.27 0.54 -2.32 8.23 -0.00 -1.91 -3.42 114.58 122.97 3f72 h GLU 55 Ca -0.30 -0.03 -0.06 0.00 -0.00 0.00 0.00 59.36 58.97 3f72 h GLU 55 Cb 1.14 -0.12 -0.23 0.00 -0.00 0.00 0.00 28.75 29.53 3f72 h GLU 55 CO 0.84 0.35 -0.10 -1.83 -0.00 0.00 0.00 179.01 178.27 3f72 s GLU 56 N -5.55 0.59 0.37 1.06 -1.05 -1.26 -4.39 118.70 108.47 3f72 s GLU 56 Ca -0.09 0.95 0.08 0.00 -0.15 0.00 0.00 54.97 55.76 3f72 s GLU 56 Cb 0.22 0.14 -0.05 0.00 -0.44 0.00 0.00 34.13 34.00 3f72 s GLU 56 CO 0.78 -0.13 0.10 -0.51 0.95 0.00 0.00 175.26 176.45 3f72 s LEU 57 N 1.15 3.08 0.42 1.83 1.02 0.56 -4.96 118.68 121.80 3f72 s LEU 57 Ca -0.07 -1.00 0.08 0.00 0.02 0.00 0.00 54.13 53.16 3f72 s LEU 57 Cb -0.06 -1.44 -0.01 0.00 0.02 0.00 0.00 46.19 44.70 3f72 s LEU 57 CO -0.11 -0.37 0.43 0.00 0.02 0.00 0.00 176.35 176.31 3f72 h VAL 59 N 0.92 0.00 0.05 0.00 3.04 -1.99 -3.20 116.25 115.07 3f72 h VAL 59 Ca -0.41 -0.51 -0.00 0.00 -1.01 0.00 0.00 66.70 64.77 3f72 h VAL 59 Cb 1.27 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.02 3f72 h VAL 59 CO 0.55 0.00 -0.02 0.00 -1.01 0.00 0.00 177.57 177.08 3f72 n ASP 61 N -4.79 -0.53 -0.27 0.00 8.00 -1.25 -2.34 116.55 115.37 3f72 n ASP 61 Ca -0.08 1.33 0.08 0.00 0.71 0.00 0.00 54.79 56.83 3f72 n ASP 61 Cb 0.32 -0.34 0.23 0.00 -0.02 0.00 0.00 41.12 41.31 3f72 n ASP 61 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3f72 h ILE 62 N 0.00 0.54 0.00 0.53 1.08 -1.62 0.71 117.51 118.74 3f72 h ILE 62 Ca 0.08 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 64.41 3f72 h ILE 62 Cb 0.20 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.09 3f72 h ILE 62 CO -0.47 0.07 -0.07 0.00 -0.69 0.00 0.00 178.15 176.99 3f72 h ALA 63 N 1.63 1.20 0.00 1.87 0.00 -0.91 -2.19 119.26 120.87 3f72 h ALA 63 Ca 0.47 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 3f72 h ALA 63 Cb 0.81 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3f72 h ALA 63 CO -0.49 0.09 -1.25 -1.71 0.00 0.00 0.00 179.25 175.89 3f72 n ASN 64 N -3.47 1.93 0.00 0.00 5.15 0.11 0.22 115.26 119.21 3f72 n ASN 64 Ca -0.02 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 3f72 n ASN 64 Cb 0.21 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 3f72 n ASN 64 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3f72 n ILE 65 N -4.44 0.00 0.35 -1.44 5.41 0.20 0.14 119.36 119.59 3f72 n ILE 65 Ca -0.21 0.40 0.08 0.00 1.00 0.00 0.00 62.75 64.01 3f72 n ILE 65 Cb 0.57 -0.53 0.37 0.00 -0.71 0.00 0.00 39.64 39.34 3f72 n ILE 65 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3f72 n LEU 66 N -2.06 0.32 -3.31 1.39 4.77 -0.82 -4.87 117.00 112.43 3f72 n LEU 66 Ca 0.00 0.60 -0.16 0.00 -0.03 0.00 0.00 56.01 56.42 3f72 n LEU 66 Cb 0.00 -0.57 0.08 0.00 -2.33 0.00 0.00 43.42 40.60 3f72 n LEU 66 CO 0.00 -0.49 0.10 0.61 -1.33 0.00 0.00 177.39 176.27 3f72 n GLY 67 N -0.37 -0.42 3.17 -0.72 0.00 0.38 -5.05 105.19 102.17 3f72 n GLY 67 Ca 0.02 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3f72 n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f72 s VAL 68 N -3.35 0.44 0.44 1.61 -7.23 0.61 -4.99 120.40 107.93 3f72 s VAL 68 Ca 0.06 -1.92 -0.21 0.00 -1.81 0.00 0.00 61.98 58.10 3f72 s VAL 68 Cb -0.01 -1.88 -0.13 0.00 0.56 0.00 0.00 36.38 34.92 3f72 s VAL 68 CO 0.70 -0.66 0.44 0.35 -0.31 0.00 0.00 175.10 175.62 3f72 n THR 69 N -0.09 1.58 0.26 5.32 -2.24 -1.26 -4.45 114.28 113.39 3f72 n THR 69 Ca -0.09 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.36 3f72 n THR 69 Cb 0.62 -0.45 0.89 0.00 -2.10 0.00 0.00 70.33 69.29 3f72 n THR 69 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3f72 h ILE 70 N 0.61 0.46 -0.33 2.28 5.03 -1.91 -2.23 117.51 121.42 3f72 h ILE 70 Ca -0.41 0.00 -0.06 0.00 -0.12 0.00 0.00 64.86 64.27 3f72 h ILE 70 Cb 1.41 0.91 -0.01 0.00 -3.03 0.00 0.00 36.82 36.10 3f72 h ILE 70 CO 0.50 0.00 -0.03 0.00 -0.68 0.00 0.00 178.15 177.94 3f72 h ALA 71 N 1.87 0.44 -0.27 1.87 0.00 -1.98 -1.59 119.26 119.61 3f72 h ALA 71 Ca 0.04 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3f72 h ALA 71 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3f72 h ALA 71 CO -0.00 0.23 -0.43 -0.91 0.00 0.00 0.00 179.25 178.14 3f72 h ASN 72 N 0.39 0.85 -0.71 0.00 2.35 -1.87 -1.95 115.58 114.63 3f72 h ASN 72 Ca 0.09 -0.52 0.07 0.00 -0.55 0.00 0.00 56.30 55.39 3f72 h ASN 72 Cb 0.49 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 3f72 h ASN 72 CO 0.02 1.20 0.40 0.00 -1.65 0.00 0.00 177.43 177.40 3f72 h ALA 73 N 0.67 0.97 -0.31 -0.83 0.00 -1.33 -1.60 119.26 116.81 3f72 h ALA 73 Ca 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3f72 h ALA 73 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3f72 h ALA 73 CO 0.10 0.07 -0.16 0.77 0.00 0.00 0.00 179.25 180.03 3f72 h SER 74 N 0.72 0.69 -0.28 0.00 0.02 -1.33 -1.50 113.55 111.87 3f72 h SER 74 Ca 0.32 -0.41 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3f72 h SER 74 Cb 0.22 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3f72 h SER 74 CO -0.20 0.95 0.09 -0.74 -1.14 0.00 0.00 176.83 175.79 3f72 h HIS 75 N 0.43 0.16 -0.39 3.45 6.17 -0.93 -2.34 115.15 121.71 3f72 h HIS 75 Ca 0.07 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.11 3f72 h HIS 75 Cb 0.69 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.57 3f72 h HIS 75 CO 0.06 0.07 0.02 0.45 0.71 0.00 0.00 177.93 179.24 3f72 h HIS 76 N 0.21 0.62 0.00 5.26 3.86 -1.32 -1.95 115.15 121.83 3f72 h HIS 76 Ca 0.13 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 3f72 h HIS 76 Cb 0.10 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 3f72 h HIS 76 CO -0.14 0.58 -0.30 -0.07 0.86 0.00 0.00 177.93 178.87 3f72 h LEU 77 N 0.57 0.00 0.14 2.43 3.38 -0.90 -2.50 115.31 118.43 3f72 h LEU 77 Ca 0.12 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.78 3f72 h LEU 77 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3f72 h LEU 77 CO 0.01 0.30 -1.61 0.03 0.09 0.00 0.00 178.44 177.26 3f72 h ARG 78 N 0.00 0.29 0.00 1.13 3.08 -1.31 -2.38 114.38 115.19 3f72 h ARG 78 Ca -0.00 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3f72 h ARG 78 Cb 0.76 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.00 3f72 h ARG 78 CO 0.04 1.24 0.00 2.41 -1.07 0.00 0.00 179.97 182.59 3f72 n THR 79 N -3.76 1.07 -0.02 2.04 -1.04 -0.74 0.58 114.28 112.40 3f72 n THR 79 Ca -0.26 0.58 0.05 0.00 -2.04 0.00 0.00 64.05 62.38 3f72 n THR 79 Cb 0.97 -1.56 -0.12 0.00 -1.82 0.00 0.00 70.33 67.80 3f72 n THR 79 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3f72 n LEU 80 N -2.17 0.00 0.15 -4.42 4.77 -0.95 -3.72 117.00 110.66 3f72 n LEU 80 Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3f72 n LEU 80 Cb 0.08 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3f72 n LEU 80 CO 0.11 0.06 0.26 0.22 -1.33 0.00 0.00 177.39 176.71 3f72 h TYR 81 N 0.00 -0.40 0.00 -1.77 3.20 -0.14 0.45 116.97 118.31 3f72 h TYR 81 Ca -0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3f72 h TYR 81 Cb 0.92 0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.32 3f72 h TYR 81 CO 0.00 -0.25 0.00 1.63 -1.64 0.00 0.00 178.16 177.90 3f72 n LYS 82 N -4.09 0.00 0.00 1.82 4.01 0.20 -0.14 118.16 119.96 3f72 n LYS 82 Ca -0.05 0.39 0.02 0.00 -0.51 0.00 0.00 58.31 58.16 3f72 n LYS 82 Cb 0.17 -0.61 0.14 0.00 -0.51 0.00 0.00 35.03 34.22 3f72 n LYS 82 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 3f72 n GLN 83 N -2.01 0.24 -1.00 1.97 1.13 -1.24 -4.79 117.38 111.68 3f72 n GLN 83 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3f72 n GLN 83 Cb 0.00 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.04 3f72 n GLN 83 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3f72 n GLY 84 N -0.42 0.60 0.11 1.08 0.00 0.81 -4.86 105.19 102.50 3f72 n GLY 84 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 3f72 n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f72 h VAL 85 N 0.00 1.42 -4.01 1.61 2.07 -0.34 -3.41 116.25 113.59 3f72 h VAL 85 Ca 0.00 -2.99 -0.66 0.00 0.82 0.00 0.00 66.70 63.86 3f72 h VAL 85 Cb 0.00 2.91 -0.23 0.00 -1.52 0.00 0.00 31.29 32.45 3f72 h VAL 85 CO 0.00 0.87 -0.86 0.68 0.02 0.00 0.00 177.57 178.28 3f72 s VAL 86 N -2.64 2.10 0.19 2.57 -7.23 -0.72 0.26 120.40 114.93 3f72 s VAL 86 Ca -0.05 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3f72 s VAL 86 Cb 0.07 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 35.17 3f72 s VAL 86 CO 0.88 0.13 0.12 -0.46 -0.31 0.00 0.00 175.10 175.46 3f72 n ASN 87 N 1.19 1.76 -0.80 4.85 0.23 -0.58 -4.34 115.26 117.57 3f72 n ASN 87 Ca -0.18 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.18 3f72 n ASN 87 Cb 0.53 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 3f72 n ASN 87 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 3f72 n PHE 88 N -0.87 0.00 0.00 -2.53 -1.74 -1.26 -2.51 117.46 108.55 3f72 n PHE 88 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.87 3f72 n PHE 88 Cb 0.22 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.22 3f72 n PHE 88 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3f72 n ARG 89 N 0.00 0.00 -3.28 3.97 1.74 -1.26 -4.91 116.66 112.92 3f72 n ARG 89 Ca 0.00 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.62 3f72 n ARG 89 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 3f72 n ARG 89 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3f72 s LYS 90 N 0.00 3.92 -0.24 5.56 -0.14 -1.26 -5.07 119.74 122.52 3f72 s LYS 90 Ca 0.00 -2.78 0.02 0.00 -1.36 0.00 0.00 55.97 51.85 3f72 s LYS 90 Cb 0.00 -4.57 0.06 0.00 -1.68 0.00 0.00 37.83 31.64 3f72 s LYS 90 CO 0.00 -1.34 -0.10 0.71 -0.76 0.00 0.00 175.35 173.87 3f72 s TYR 97 N -0.24 2.87 0.00 3.18 2.02 -0.99 -5.30 117.35 118.90 3f72 s TYR 97 Ca 0.27 -2.02 -0.00 0.00 -0.37 0.00 0.00 57.07 54.94 3f72 s TYR 97 Cb -0.09 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3f72 s TYR 97 CO -0.08 -0.83 0.00 -1.54 -1.57 0.00 0.00 175.55 171.54 3f72 s SER 98 N 1.24 0.01 0.34 2.29 1.04 -1.04 -0.32 113.70 117.25 3f72 s SER 98 Ca -0.06 -0.02 -0.28 0.00 0.48 0.00 0.00 55.95 56.07 3f72 s SER 98 Cb -0.19 0.01 -0.12 0.00 0.10 0.00 0.00 66.02 65.82 3f72 s SER 98 CO -0.06 -0.01 1.30 0.00 0.98 0.00 0.00 173.24 175.44 3f72 n LEU 99 N 3.01 3.53 0.00 2.42 -0.00 -1.26 -1.52 117.00 123.18 3f72 n LEU 99 Ca -0.13 1.20 0.00 0.00 -0.00 0.00 0.00 56.01 57.09 3f72 n LEU 99 Cb 0.60 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.54 3f72 n LEU 99 CO 0.26 -0.48 0.11 0.61 -0.00 0.00 0.00 177.39 177.88 3f72 n GLY 100 N 0.86 -1.23 1.31 1.47 0.00 0.74 -4.57 105.19 103.77 3f72 n GLY 100 Ca 0.05 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 3f72 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f72 n GLY 101 N -0.75 2.56 0.23 -0.02 0.00 -1.26 -4.75 105.19 101.20 3f72 n GLY 101 Ca 0.00 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 3f72 n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3f72 h GLU 102 N 0.00 0.41 -1.10 1.61 4.39 -2.01 -2.98 114.58 114.91 3f72 h GLU 102 Ca -0.11 -0.14 0.35 0.00 0.34 0.00 0.00 59.36 59.79 3f72 h GLU 102 Cb 0.46 -0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.94 3f72 h GLU 102 CO 0.14 0.62 0.66 0.00 -1.16 0.00 0.00 179.01 179.28 3f72 h ALA 103 N 1.39 2.22 0.03 3.43 0.00 -1.98 0.20 119.26 124.55 3f72 h ALA 103 Ca 0.06 0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 3f72 h ALA 103 Cb 0.61 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3f72 h ALA 103 CO 0.04 -0.81 -1.16 0.82 0.00 0.00 0.00 179.25 178.15 3f72 h ILE 104 N 0.26 1.55 0.48 0.00 1.08 -1.91 -0.16 117.51 118.81 3f72 h ILE 104 Ca 0.74 -3.24 -0.02 0.00 -0.39 0.00 0.00 64.86 61.94 3f72 h ILE 104 Cb 1.90 2.81 0.00 0.00 -3.07 0.00 0.00 36.82 38.47 3f72 h ILE 104 CO -0.50 0.90 -0.23 -0.09 -0.69 0.00 0.00 178.15 177.54 3f72 h ARG 105 N 0.02 -0.62 -0.76 2.37 2.43 -0.83 -2.67 114.38 114.31 3f72 h ARG 105 Ca -0.08 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 3f72 h ARG 105 Cb 1.85 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 31.43 3f72 h ARG 105 CO 0.14 -0.32 0.23 1.96 -1.51 0.00 0.00 179.97 180.47 3f72 h GLN 106 N -0.98 0.31 -0.59 0.20 1.08 -0.80 -0.36 115.11 113.97 3f72 h GLN 106 Ca -0.07 -0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.16 3f72 h GLN 106 Cb 0.59 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.91 3f72 h GLN 106 CO 0.11 0.20 0.33 0.82 -0.95 0.00 0.00 178.83 179.34 3f72 h ILE 107 N 0.32 1.01 -0.29 2.54 2.04 -1.06 -2.36 117.51 119.70 3f72 h ILE 107 Ca 0.43 -0.22 -0.14 0.00 1.00 0.00 0.00 64.86 65.93 3f72 h ILE 107 Cb 0.74 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3f72 h ILE 107 CO -0.50 0.12 -0.37 -0.03 0.00 0.00 0.00 178.15 177.37 3f72 h MET 108 N 0.64 0.77 -0.44 2.37 4.05 -0.77 -1.93 114.93 119.62 3f72 h MET 108 Ca 0.25 -0.43 -0.06 0.00 -0.28 0.00 0.00 59.70 59.17 3f72 h MET 108 Cb 0.10 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 3f72 h MET 108 CO -0.14 1.06 0.03 0.52 0.23 0.00 0.00 176.91 178.61 3f72 h MET 109 N 0.52 0.76 -0.09 0.39 2.86 -1.11 0.12 114.93 118.38 3f72 h MET 109 Ca 0.04 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3f72 h MET 109 Cb 0.96 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.50 3f72 h MET 109 CO 0.09 0.81 -0.20 0.82 1.06 0.00 0.00 176.91 179.49 3f72 h ILE 110 N 0.61 0.51 -0.12 -1.22 1.08 -1.46 0.19 117.51 117.10 3f72 h ILE 110 Ca 0.13 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.54 3f72 h ILE 110 Cb 0.45 0.51 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 3f72 h ILE 110 CO 0.02 0.00 -0.21 0.00 -0.69 0.00 0.00 178.15 177.27 3f72 h ALA 111 N 0.71 1.44 0.36 1.87 0.00 -1.12 1.14 119.26 123.65 3f72 h ALA 111 Ca 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3f72 h ALA 111 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3f72 h ALA 111 CO -0.25 0.40 -0.17 -0.07 0.00 0.00 0.00 179.25 179.16 3f72 h LEU 112 N 0.18 -0.41 -1.61 0.00 3.38 -0.30 -2.48 115.31 114.08 3f72 h LEU 112 Ca 0.03 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3f72 h LEU 112 Cb 0.48 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3f72 h LEU 112 CO 0.03 -0.02 0.32 0.00 0.09 0.00 0.00 178.44 178.87 3f72 h ALA 113 N -0.43 1.82 0.83 1.53 0.00 -0.29 -2.42 119.26 120.29 3f72 h ALA 113 Ca -0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3f72 h ALA 113 Cb 0.53 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3f72 h ALA 113 CO 0.08 0.12 -0.40 1.25 0.00 0.00 0.00 179.25 180.30 3f72 h HIS 114 N 0.51 -1.03 0.00 0.00 -0.00 0.12 -3.21 115.15 111.54 3f72 h HIS 114 Ca 0.20 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 3f72 h HIS 114 Cb 0.16 0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 3f72 h HIS 114 CO -0.00 -0.64 0.00 1.63 -0.00 0.00 0.00 177.93 178.92 3f72 n LYS 115 N -5.05 0.00 -0.32 5.26 4.01 -0.93 -2.45 118.16 118.67 3f72 n LYS 115 Ca -0.14 0.89 -0.08 0.00 -0.51 0.00 0.00 58.31 58.47 3f72 n LYS 115 Cb 0.44 -1.44 -0.08 0.00 -0.51 0.00 0.00 35.03 33.44 3f72 n LYS 115 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3f72 n LYS 116 N -2.66 -0.34 0.00 1.97 2.85 -0.93 -5.12 118.16 113.93 3f72 n LYS 116 Ca 0.00 1.20 0.15 0.00 -1.05 0.00 0.00 58.31 58.61 3f72 n LYS 116 Cb 0.00 -1.76 0.73 0.00 -0.65 0.00 0.00 35.03 33.35 3f72 n LYS 116 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50