#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f96 s ASP 3 N 0.96 6.41 0.44 0.00 1.01 -1.26 -4.93 116.67 119.31 1f96 s ASP 3 Ca -0.06 2.89 -0.25 0.00 0.71 0.00 0.00 52.55 55.84 1f96 s ASP 3 Cb -0.06 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.16 1f96 s ASP 3 CO -0.08 -0.90 1.36 -2.11 0.21 0.00 0.00 175.17 173.64 1f96 n ARG 4 N 2.63 2.08 0.00 8.23 -4.01 -1.26 -5.01 116.66 119.31 1f96 n ARG 4 Ca 0.10 0.74 0.00 0.00 -1.04 0.00 0.00 57.85 57.65 1f96 n ARG 4 Cb 0.37 -2.52 0.00 0.00 -3.04 0.00 0.00 32.46 27.27 1f96 n ARG 4 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 1f96 n LYS 5 N -0.14 0.00 -1.56 2.89 4.76 -1.26 -5.00 118.16 117.85 1f96 n LYS 5 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1f96 n LYS 5 Cb 0.41 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 1f96 n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f96 n ALA 6 N -3.00 -2.28 -2.78 7.82 0.00 -1.26 -4.98 120.51 114.03 1f96 n ALA 6 Ca 0.00 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 1f96 n ALA 6 Cb 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 19.45 18.14 1f96 n ALA 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1f96 s VAL 7 N -1.02 4.75 0.16 0.00 -7.23 0.28 -4.92 120.40 112.42 1f96 s VAL 7 Ca 0.00 -0.07 -0.23 0.00 -1.81 0.00 0.00 61.98 59.87 1f96 s VAL 7 Cb 0.00 -3.06 -0.08 0.00 0.56 0.00 0.00 36.38 33.80 1f96 s VAL 7 CO 0.00 0.57 0.73 -0.63 -0.31 0.00 0.00 175.10 175.46 1f96 s ILE 8 N -0.53 4.46 0.00 -0.62 1.09 -1.26 -1.04 121.20 123.30 1f96 s ILE 8 Ca 0.10 1.56 0.00 0.00 -1.10 0.00 0.00 60.65 61.21 1f96 s ILE 8 Cb -0.12 -4.06 0.00 0.00 -1.06 0.00 0.00 42.46 37.22 1f96 s ILE 8 CO 0.02 0.49 0.00 0.29 -0.10 0.00 0.00 174.94 175.64 1f96 n LYS 9 N 1.50 1.85 -3.11 2.79 4.76 -0.65 -4.90 118.16 120.40 1f96 n LYS 9 Ca -0.06 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.20 1f96 n LYS 9 Cb 0.49 -0.88 -0.02 0.00 -1.84 0.00 0.00 35.03 32.78 1f96 n LYS 9 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1f96 n ASN 10 N -1.87 1.14 -4.68 4.39 3.02 -1.19 -5.03 115.26 111.04 1f96 n ASN 10 Ca 0.00 -3.02 -0.42 0.00 -0.03 0.00 0.00 54.58 51.10 1f96 n ASN 10 Cb 0.38 -0.61 -0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1f96 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f96 n ALA 11 N 0.21 1.10 -2.67 5.41 0.00 -1.26 -3.81 120.51 119.49 1f96 n ALA 11 Ca 0.24 0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.99 1f96 n ALA 11 Cb 0.66 -2.22 0.11 0.00 0.00 0.00 0.00 19.45 18.00 1f96 n ALA 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1f96 n ASP 12 N 0.75 -1.30 -3.62 0.00 2.03 -0.99 -4.96 116.55 108.45 1f96 n ASP 12 Ca 0.06 -1.99 -0.03 0.00 0.52 0.00 0.00 54.79 53.34 1f96 n ASP 12 Cb 0.36 1.21 -0.02 0.00 -0.72 0.00 0.00 41.12 41.94 1f96 n ASP 12 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 1f96 s MET 13 N 0.06 0.16 0.29 -0.67 1.75 -1.21 -0.99 119.30 118.69 1f96 s MET 13 Ca 0.20 -0.04 -0.27 0.00 -1.25 0.00 0.00 55.69 54.33 1f96 s MET 13 Cb 0.29 0.07 -0.15 0.00 2.84 0.00 0.00 34.83 37.89 1f96 s MET 13 CO -0.19 -0.06 0.78 0.45 -0.65 0.00 0.00 175.02 175.35 1f96 n SER 14 N 0.07 0.15 -0.22 1.11 2.88 -1.26 -4.70 113.62 111.65 1f96 n SER 14 Ca 0.02 1.12 0.01 0.00 -1.33 0.00 0.00 58.87 58.69 1f96 n SER 14 Cb 0.57 -1.16 0.13 0.00 -0.75 0.00 0.00 64.21 63.01 1f96 n SER 14 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1f96 h GLU 15 N 1.48 0.44 -0.76 -1.46 5.08 -2.01 -1.24 114.58 116.11 1f96 h GLU 15 Ca -0.36 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 1f96 h GLU 15 Cb 1.38 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1f96 h GLU 15 CO 0.58 0.29 0.33 1.05 -1.00 0.00 0.00 179.01 180.25 1f96 h GLU 16 N 0.45 1.13 -0.27 2.33 4.11 -1.99 -1.25 114.58 119.09 1f96 h GLU 16 Ca 0.34 -0.19 -0.03 0.00 0.07 0.00 0.00 59.36 59.54 1f96 h GLU 16 Cb 0.42 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1f96 h GLU 16 CO -0.32 0.91 0.05 0.52 0.07 0.00 0.00 179.01 180.23 1f96 h MET 17 N 1.10 0.45 -0.58 1.06 2.86 -1.68 -0.26 114.93 117.87 1f96 h MET 17 Ca 0.26 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1f96 h MET 17 Cb 0.18 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1f96 h MET 17 CO -0.02 0.56 0.07 -0.56 1.06 0.00 0.00 176.91 178.01 1f96 h GLN 18 N 0.27 0.95 -0.32 1.72 3.07 -1.12 -1.49 115.11 118.18 1f96 h GLN 18 Ca 0.08 -0.24 -0.16 0.00 0.09 0.00 0.00 58.65 58.42 1f96 h GLN 18 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 27.76 1f96 h GLN 18 CO 0.00 0.89 -0.44 -0.56 0.09 0.00 0.00 178.83 178.82 1f96 h GLN 19 N 0.89 0.81 -0.77 0.06 3.07 -1.12 -2.17 115.11 115.89 1f96 h GLN 19 Ca 0.18 -0.45 -0.05 0.00 0.09 0.00 0.00 58.65 58.41 1f96 h GLN 19 Cb 0.42 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 27.98 1f96 h GLN 19 CO 0.01 1.09 0.28 0.22 0.09 0.00 0.00 178.83 180.52 1f96 h ASP 20 N 0.65 1.09 -0.31 0.06 3.58 -0.80 0.16 116.42 120.85 1f96 h ASP 20 Ca 0.04 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.26 1f96 h ASP 20 Cb 1.02 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1f96 h ASP 20 CO 0.10 0.98 0.01 0.28 -2.88 0.00 0.00 179.24 177.73 1f96 h SER 21 N 1.13 0.53 -0.34 2.28 0.02 -1.19 0.51 113.55 116.50 1f96 h SER 21 Ca 0.25 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1f96 h SER 21 Cb 0.26 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1f96 h SER 21 CO -0.02 0.70 0.14 0.58 -1.14 0.00 0.00 176.83 177.10 1f96 h VAL 22 N 0.35 1.18 -0.27 2.27 2.07 -1.12 0.46 116.25 121.19 1f96 h VAL 22 Ca 0.09 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1f96 h VAL 22 Cb 0.43 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1f96 h VAL 22 CO 0.01 0.19 -0.01 -0.33 0.02 0.00 0.00 177.57 177.46 1f96 h GLU 23 N 0.41 0.48 -0.22 1.57 5.08 -0.59 -0.52 114.58 120.79 1f96 h GLU 23 Ca 0.11 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1f96 h GLU 23 Cb 0.17 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1f96 h GLU 23 CO -0.01 0.65 -0.15 0.00 -1.00 0.00 0.00 179.01 178.50 1f96 h ALA 25 N 1.51 0.49 -0.16 0.00 0.00 0.13 -1.83 119.26 119.41 1f96 h ALA 25 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1f96 h ALA 25 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1f96 h ALA 25 CO 0.03 0.64 0.10 1.15 0.00 0.00 0.00 179.25 181.17 1f96 h THR 26 N 0.67 1.06 -0.70 0.00 2.02 -0.70 -1.82 112.91 113.44 1f96 h THR 26 Ca 0.03 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1f96 h THR 26 Cb 1.06 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 1f96 h THR 26 CO 0.11 0.05 0.47 1.56 0.37 0.00 0.00 175.52 178.07 1f96 h GLN 27 N 0.20 0.90 -0.86 6.66 4.20 -1.28 -1.69 115.11 123.24 1f96 h GLN 27 Ca 0.06 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1f96 h GLN 27 Cb 0.00 -0.20 -0.05 0.00 0.30 0.00 0.00 27.48 27.53 1f96 h GLN 27 CO -0.01 0.60 0.55 0.00 -0.67 0.00 0.00 178.83 179.29 1f96 h ALA 28 N 1.57 1.13 -0.27 3.87 0.00 -0.54 0.26 119.26 125.29 1f96 h ALA 28 Ca 0.26 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1f96 h ALA 28 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1f96 h ALA 28 CO -0.06 0.38 0.03 -0.07 0.00 0.00 0.00 179.25 179.53 1f96 h LEU 29 N 1.06 0.44 -1.00 0.00 3.38 -0.58 1.76 115.31 120.37 1f96 h LEU 29 Ca 0.34 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1f96 h LEU 29 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1f96 h LEU 29 CO -0.12 0.60 -0.22 -0.33 0.09 0.00 0.00 178.44 178.46 1f96 h GLU 30 N 0.25 0.46 0.13 1.13 4.39 -1.04 1.02 114.58 120.93 1f96 h GLU 30 Ca 0.08 -0.16 -0.35 0.00 0.34 0.00 0.00 59.36 59.27 1f96 h GLU 30 Cb 0.36 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1f96 h GLU 30 CO 0.01 0.66 -1.82 0.87 -1.16 0.00 0.00 179.01 177.56 1f96 h LYS 31 N 0.41 0.28 0.00 2.33 1.57 -0.33 -3.43 116.57 117.41 1f96 h LYS 31 Ca 0.07 -0.48 -0.22 0.00 -1.87 0.00 0.00 60.65 58.15 1f96 h LYS 31 Cb 0.62 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 1f96 h LYS 31 CO 0.04 1.16 -1.77 0.66 -0.57 0.00 0.00 179.45 178.97 1f96 n TYR 32 N -3.47 0.00 -3.26 -1.35 4.02 0.59 -5.04 117.16 108.65 1f96 n TYR 32 Ca -0.26 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.47 1f96 n TYR 32 Cb 1.06 -0.50 0.06 0.00 -0.02 0.00 0.00 39.34 39.94 1f96 n TYR 32 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1f96 n ASN 33 N -3.39 -4.38 -3.54 7.72 5.15 0.35 -4.96 115.26 112.22 1f96 n ASN 33 Ca -0.26 -0.43 -0.07 0.00 -0.60 0.00 0.00 54.58 53.21 1f96 n ASN 33 Cb 0.71 -3.97 -0.08 0.00 -0.53 0.00 0.00 39.78 35.91 1f96 n ASN 33 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1f96 s ILE 34 N -3.25 -0.68 0.28 -1.44 1.01 -1.26 -5.03 121.20 110.83 1f96 s ILE 34 Ca 0.32 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.03 1f96 s ILE 34 Cb -0.14 -0.75 0.34 0.00 0.01 0.00 0.00 42.46 41.92 1f96 s ILE 34 CO 0.55 0.01 1.61 -0.33 0.00 0.00 0.00 174.94 176.78 1f96 h GLU 35 N 8.16 0.09 0.23 2.79 5.08 -1.95 -0.41 114.58 128.56 1f96 h GLU 35 Ca -0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1f96 h GLU 35 Cb 1.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1f96 h GLU 35 CO 0.17 0.06 -0.21 -0.22 -1.00 0.00 0.00 179.01 177.81 1f96 h LYS 36 N 0.09 -0.45 -0.98 2.33 3.64 -1.97 -2.86 116.57 116.37 1f96 h LYS 36 Ca 0.51 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.94 1f96 h LYS 36 Cb 1.00 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.87 1f96 h LYS 36 CO -0.76 -0.30 0.65 -0.44 -2.27 0.00 0.00 179.45 176.33 1f96 h ASP 37 N -0.46 1.11 -0.50 4.20 3.32 -1.57 -2.58 116.42 119.94 1f96 h ASP 37 Ca -0.01 -0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.12 1f96 h ASP 37 Cb 0.42 -0.27 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 1f96 h ASP 37 CO -0.04 0.80 -0.24 0.40 -1.72 0.00 0.00 179.24 178.44 1f96 h ILE 38 N 1.31 0.32 -0.03 0.35 2.04 -0.91 0.31 117.51 120.89 1f96 h ILE 38 Ca 0.37 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.14 1f96 h ILE 38 Cb -0.12 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1f96 h ILE 38 CO -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 178.15 177.66 1f96 h ALA 39 N 1.19 1.29 0.98 1.87 0.00 -1.42 -2.40 119.26 120.76 1f96 h ALA 39 Ca 0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1f96 h ALA 39 Cb 0.49 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1f96 h ALA 39 CO -0.58 0.52 -0.47 0.00 0.00 0.00 0.00 179.25 178.72 1f96 h ALA 40 N 1.55 -1.31 -0.19 0.00 0.00 -0.56 0.27 119.26 119.02 1f96 h ALA 40 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1f96 h ALA 40 Cb 0.73 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1f96 h ALA 40 CO 0.05 -1.22 0.00 1.12 0.00 0.00 0.00 179.25 179.21 1f96 h HIS 41 N -1.34 0.36 -0.90 0.00 2.07 -1.49 -2.67 115.15 111.18 1f96 h HIS 41 Ca -0.13 -0.06 0.02 0.00 -2.85 0.00 0.00 60.37 57.34 1f96 h HIS 41 Cb 1.01 -0.09 -0.05 0.00 2.57 0.00 0.00 27.41 30.84 1f96 h HIS 41 CO -0.00 0.53 0.59 0.82 -3.07 0.00 0.00 177.93 176.80 1f96 h ILE 42 N 0.09 1.20 0.62 6.12 2.04 -1.47 -0.01 117.51 126.09 1f96 h ILE 42 Ca 0.05 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1f96 h ILE 42 Cb 0.38 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1f96 h ILE 42 CO 0.01 0.21 -0.30 0.50 0.00 0.00 0.00 178.15 178.58 1f96 h LYS 43 N 1.18 -0.80 -0.65 2.37 3.64 -0.33 -2.40 116.57 119.57 1f96 h LYS 43 Ca 0.34 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.74 1f96 h LYS 43 Cb -0.08 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 1f96 h LYS 43 CO -0.09 -0.53 0.29 0.87 -2.27 0.00 0.00 179.45 177.73 1f96 h LYS 44 N -0.84 0.96 -0.33 1.90 1.57 -1.28 -2.29 116.57 116.25 1f96 h LYS 44 Ca -0.09 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1f96 h LYS 44 Cb 0.64 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 1f96 h LYS 44 CO 0.14 0.78 -0.00 1.49 -0.57 0.00 0.00 179.45 181.29 1f96 h GLU 45 N 0.91 0.09 -0.38 3.15 4.81 -0.94 -0.79 114.58 121.43 1f96 h GLU 45 Ca 0.22 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1f96 h GLU 45 Cb 0.16 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1f96 h GLU 45 CO -0.02 0.06 -0.17 0.74 -0.73 0.00 0.00 179.01 178.89 1f96 h PHE 46 N 0.09 0.91 -0.84 0.92 -1.00 -1.36 -2.24 116.94 113.42 1f96 h PHE 46 Ca 0.16 -0.22 0.03 0.00 2.81 0.00 0.00 57.97 60.75 1f96 h PHE 46 Cb 0.21 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.51 1f96 h PHE 46 CO -0.24 0.96 0.55 -0.44 -1.61 0.00 0.00 178.31 177.54 1f96 h ASP 47 N 0.59 0.90 -0.14 2.17 5.19 -1.09 0.30 116.42 124.35 1f96 h ASP 47 Ca 0.09 -0.01 -0.05 0.00 -0.62 0.00 0.00 57.03 56.44 1f96 h ASP 47 Cb 0.72 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.01 1f96 h ASP 47 CO 0.05 0.62 -0.10 0.50 -3.12 0.00 0.00 179.24 177.19 1f96 h LYS 48 N 1.05 0.31 0.00 3.56 3.11 -1.03 -1.70 116.57 121.87 1f96 h LYS 48 Ca 0.33 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 58.02 1f96 h LYS 48 Cb 0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1f96 h LYS 48 CO -0.10 0.68 0.00 1.63 -2.81 0.00 0.00 179.45 178.85 1f96 n LYS 49 N -4.62 0.00 0.12 1.90 5.02 -0.86 -4.31 118.16 115.42 1f96 n LYS 49 Ca -0.06 0.48 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 1f96 n LYS 49 Cb 0.33 -0.98 0.47 0.00 -0.02 0.00 0.00 35.03 34.83 1f96 n LYS 49 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1f96 n TYR 50 N -2.00 0.79 0.00 2.13 4.01 0.99 -5.00 117.16 118.08 1f96 n TYR 50 Ca 0.00 0.30 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1f96 n TYR 50 Cb 0.00 -0.98 0.00 0.00 -0.31 0.00 0.00 39.34 38.05 1f96 n TYR 50 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1f96 n ASN 51 N -2.21 -0.21 -4.67 7.72 3.02 -0.70 -4.98 115.26 113.24 1f96 n ASN 51 Ca 0.03 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.29 1f96 n ASN 51 Cb 0.26 0.30 0.18 0.00 -0.61 0.00 0.00 39.78 39.91 1f96 n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1f96 s PRO 52 N -4.91 0.42 -0.15 3.52 0.04 -0.87 -4.42 135.00 128.63 1f96 s PRO 52 Ca 0.00 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1f96 s PRO 52 Cb 0.00 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 1f96 s PRO 52 CO 0.00 -2.74 -0.14 -0.08 0.04 0.00 0.00 177.00 174.07 1f96 s THR 53 N -2.95 2.77 -0.12 1.26 -1.32 -0.64 -4.71 115.64 109.93 1f96 s THR 53 Ca 0.65 -0.74 -0.14 0.00 -1.21 0.00 0.00 61.69 60.26 1f96 s THR 53 Cb -0.19 -2.17 -0.05 0.00 -1.51 0.00 0.00 72.50 68.59 1f96 s THR 53 CO 0.58 0.51 0.32 0.26 -2.21 0.00 0.00 174.62 174.08 1f96 s TRP 54 N 0.71 3.53 -0.22 9.09 0.52 -1.26 0.99 118.94 132.31 1f96 s TRP 54 Ca -0.07 0.70 -0.09 0.00 0.02 0.00 0.00 56.10 56.66 1f96 s TRP 54 Cb -0.15 -2.31 -0.05 0.00 -1.15 0.00 0.00 33.47 29.81 1f96 s TRP 54 CO 0.02 0.36 0.12 -1.01 0.02 0.00 0.00 176.95 176.46 1f96 s HIS 55 N 0.03 3.30 0.00 -1.98 3.76 0.13 -4.90 115.29 115.62 1f96 s HIS 55 Ca 0.19 0.16 0.07 0.00 -0.15 0.00 0.00 55.06 55.33 1f96 s HIS 55 Cb -0.14 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 1f96 s HIS 55 CO 0.06 0.10 -0.22 0.00 -0.85 0.00 0.00 174.74 173.83 1f96 s ILE 57 N -0.76 0.04 -0.24 0.00 1.09 -0.74 -4.99 121.20 115.60 1f96 s ILE 57 Ca 0.12 -0.30 -0.17 0.00 -1.10 0.00 0.00 60.65 59.20 1f96 s ILE 57 Cb -0.10 -0.26 0.07 0.00 -1.06 0.00 0.00 42.46 41.10 1f96 s ILE 57 CO 0.02 -0.16 0.61 -0.69 -0.10 0.00 0.00 174.94 174.61 1f96 s VAL 58 N -0.52 -0.00 0.00 2.92 1.01 -1.26 -1.58 120.40 120.96 1f96 s VAL 58 Ca -0.06 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1f96 s VAL 58 Cb -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1f96 s VAL 58 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1f96 n GLY 59 N 3.59 1.20 0.62 4.51 0.00 -0.86 -4.73 105.19 109.52 1f96 n GLY 59 Ca -0.18 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 1f96 n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1f96 n ARG 60 N 0.00 0.00 0.00 1.61 1.85 -1.26 -0.47 116.66 118.39 1f96 n ARG 60 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 1f96 n ARG 60 Cb 0.00 0.49 0.00 0.00 -1.05 0.00 0.00 32.46 31.90 1f96 n ARG 60 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1f96 n ASN 61 N 0.00 0.00 -3.64 2.89 6.94 -1.26 -4.91 115.26 115.28 1f96 n ASN 61 Ca -0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 54.58 54.41 1f96 n ASN 61 Cb 0.36 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.71 1f96 n ASN 61 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1f96 s PHE 62 N 0.00 -0.47 0.15 -2.53 -0.71 -1.26 -5.15 117.98 108.01 1f96 s PHE 62 Ca 0.00 1.11 -0.30 0.00 -1.04 0.00 0.00 56.93 56.70 1f96 s PHE 62 Cb 0.00 0.37 -0.07 0.00 -1.21 0.00 0.00 43.02 42.11 1f96 s PHE 62 CO 0.00 -0.23 0.99 0.20 -1.34 0.00 0.00 175.22 174.84 1f96 s GLY 63 N 0.38 2.98 0.05 1.99 0.00 -1.26 -5.05 107.32 106.42 1f96 s GLY 63 Ca 0.02 0.64 0.06 0.00 0.00 0.00 0.00 44.72 45.43 1f96 s GLY 63 CO -0.08 1.47 -0.16 -0.45 0.00 0.00 0.00 173.10 173.88 1f96 s SER 64 N -0.21 1.86 -0.20 1.64 0.15 -1.26 -5.13 113.70 110.55 1f96 s SER 64 Ca 0.47 -0.52 -0.08 0.00 0.70 0.00 0.00 55.95 56.52 1f96 s SER 64 Cb -0.25 -0.11 0.08 0.00 -1.71 0.00 0.00 66.02 64.03 1f96 s SER 64 CO 0.31 0.03 0.45 -0.47 1.20 0.00 0.00 173.24 174.77 1f96 s TYR 65 N -0.95 -0.80 0.22 3.44 5.04 -1.26 -5.17 117.35 117.87 1f96 s TYR 65 Ca 0.02 1.56 -0.20 0.00 -2.44 0.00 0.00 57.07 56.01 1f96 s TYR 65 Cb -0.09 0.35 0.03 0.00 0.35 0.00 0.00 41.96 42.61 1f96 s TYR 65 CO 0.02 -0.46 0.61 0.08 -1.34 0.00 0.00 175.55 174.45 1f96 s VAL 66 N 2.24 0.01 0.13 3.14 1.01 -1.26 -5.18 120.40 120.49 1f96 s VAL 66 Ca -0.05 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1f96 s VAL 66 Cb -0.11 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1f96 s VAL 66 CO -0.14 -0.04 -0.02 -0.89 0.00 0.00 0.00 175.10 174.01 1f96 s THR 67 N -3.86 3.77 -0.14 3.92 2.01 -1.26 -5.13 115.64 114.96 1f96 s THR 67 Ca 0.08 -1.22 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 1f96 s THR 67 Cb -0.03 -2.83 0.10 0.00 0.01 0.00 0.00 72.50 69.75 1f96 s THR 67 CO -0.02 0.03 0.84 -1.38 -0.69 0.00 0.00 174.62 173.40 1f96 s HIS 68 N -1.46 -0.54 0.45 4.92 -3.43 -1.26 -4.89 115.29 109.08 1f96 s HIS 68 Ca 0.26 1.01 -0.24 0.00 -0.80 0.00 0.00 55.06 55.28 1f96 s HIS 68 Cb -0.11 0.41 -0.08 0.00 -1.43 0.00 0.00 32.58 31.38 1f96 s HIS 68 CO 0.18 -0.45 1.32 -2.00 -2.00 0.00 0.00 174.74 171.79 1f96 s GLU 69 N -0.87 3.70 0.59 -0.38 2.56 -1.19 -4.95 118.70 118.16 1f96 s GLU 69 Ca -0.05 2.17 -0.19 0.00 0.00 0.00 0.00 54.97 56.90 1f96 s GLU 69 Cb -0.01 -2.58 -0.05 0.00 2.00 0.00 0.00 34.13 33.49 1f96 s GLU 69 CO 0.04 -0.72 1.03 0.25 -0.56 0.00 0.00 175.26 175.31 1f96 n THR 70 N -0.27 3.76 -3.18 -1.70 -2.24 -1.26 -2.73 114.28 106.66 1f96 n THR 70 Ca 0.06 -0.50 -0.20 0.00 -2.27 0.00 0.00 64.05 61.14 1f96 n THR 70 Cb 0.44 -1.23 0.05 0.00 -2.10 0.00 0.00 70.33 67.49 1f96 n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1f96 n LYS 71 N -1.03 -5.58 -2.69 -0.78 4.76 -1.26 -4.90 118.16 106.68 1f96 n LYS 71 Ca 0.13 0.75 -0.07 0.00 -2.87 0.00 0.00 58.31 56.25 1f96 n LYS 71 Cb 0.47 -5.41 0.10 0.00 -1.84 0.00 0.00 35.03 28.35 1f96 n LYS 71 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1f96 n HIS 72 N -4.51 -1.77 -3.83 2.13 8.25 -1.11 -4.69 115.22 109.69 1f96 n HIS 72 Ca -0.05 -2.08 -0.12 0.00 -0.26 0.00 0.00 57.72 55.21 1f96 n HIS 72 Cb 0.58 1.23 -0.11 0.00 1.12 0.00 0.00 29.99 32.80 1f96 n HIS 72 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1f96 s PHE 73 N -0.44 -0.12 -0.27 4.41 5.36 -0.16 -2.87 117.98 123.87 1f96 s PHE 73 Ca 0.23 0.29 -0.25 0.00 -0.96 0.00 0.00 56.93 56.24 1f96 s PHE 73 Cb 0.41 0.03 0.08 0.00 -0.34 0.00 0.00 43.02 43.20 1f96 s PHE 73 CO -0.07 -0.16 0.77 -1.50 -1.46 0.00 0.00 175.22 172.80 1f96 s ILE 74 N -0.37 0.00 -0.05 3.12 2.07 -0.33 -2.33 121.20 123.30 1f96 s ILE 74 Ca -0.05 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.16 1f96 s ILE 74 Cb -0.03 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.58 1f96 s ILE 74 CO 0.01 0.00 0.13 -0.47 -1.91 0.00 0.00 174.94 172.70 1f96 s TYR 75 N 0.38 -0.14 -0.28 3.50 5.04 -1.25 -1.71 117.35 122.88 1f96 s TYR 75 Ca 0.00 0.40 -0.23 0.00 -2.44 0.00 0.00 57.07 54.80 1f96 s TYR 75 Cb -0.05 -0.03 0.12 0.00 0.35 0.00 0.00 41.96 42.35 1f96 s TYR 75 CO -0.00 -0.12 1.00 -0.59 -1.34 0.00 0.00 175.55 174.50 1f96 s PHE 76 N 0.68 -0.52 0.23 4.97 -0.71 -0.47 -1.64 117.98 120.53 1f96 s PHE 76 Ca -0.05 1.21 -0.19 0.00 -1.04 0.00 0.00 56.93 56.86 1f96 s PHE 76 Cb -0.07 0.37 -0.08 0.00 -1.21 0.00 0.00 43.02 42.02 1f96 s PHE 76 CO -0.03 -0.25 0.73 0.71 -1.34 0.00 0.00 175.22 175.03 1f96 s TYR 77 N 0.45 3.62 -0.23 3.49 1.51 -0.21 -1.38 117.35 124.61 1f96 s TYR 77 Ca 0.01 1.37 -0.28 0.00 -1.01 0.00 0.00 57.07 57.16 1f96 s TYR 77 Cb -0.05 -2.61 0.14 0.00 -0.11 0.00 0.00 41.96 39.33 1f96 s TYR 77 CO -0.08 0.31 1.08 -1.17 -1.11 0.00 0.00 175.55 174.58 1f96 s LEU 78 N -2.07 -0.34 -1.48 -1.29 2.96 -0.75 -0.56 118.68 115.15 1f96 s LEU 78 Ca 0.44 0.52 -0.12 0.00 -0.22 0.00 0.00 54.13 54.75 1f96 s LEU 78 Cb -0.16 1.74 0.06 0.00 0.50 0.00 0.00 46.19 48.33 1f96 s LEU 78 CO 0.21 -0.22 1.03 0.61 -1.32 0.00 0.00 176.35 176.66 1f96 n GLY 79 N 1.34 -0.52 3.63 7.98 0.00 -1.26 -1.26 105.19 115.10 1f96 n GLY 79 Ca -0.10 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1f96 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f96 n GLN 80 N -4.76 -5.22 -3.66 1.61 6.02 -1.26 -4.96 117.38 105.15 1f96 n GLN 80 Ca 0.03 0.65 -0.09 0.00 -0.01 0.00 0.00 57.00 57.57 1f96 n GLN 80 Cb 0.54 -5.51 -0.08 0.00 1.02 0.00 0.00 30.24 26.20 1f96 n GLN 80 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1f96 s VAL 81 N -3.20 -0.01 0.15 5.09 -7.23 -0.39 -4.80 120.40 110.01 1f96 s VAL 81 Ca 0.55 0.03 -0.31 0.00 -1.81 0.00 0.00 61.98 60.44 1f96 s VAL 81 Cb -0.27 -0.86 -0.08 0.00 0.56 0.00 0.00 36.38 35.73 1f96 s VAL 81 CO 0.68 0.01 1.32 0.00 -0.31 0.00 0.00 175.10 176.80 1f96 s ALA 82 N 1.41 3.53 -0.10 1.32 0.00 0.38 -1.81 121.76 126.48 1f96 s ALA 82 Ca -0.09 1.07 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1f96 s ALA 82 Cb -0.06 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1f96 s ALA 82 CO -0.15 -0.54 -0.18 0.42 0.00 0.00 0.00 175.76 175.30 1f96 s ILE 83 N 0.58 2.59 0.01 0.00 1.01 -0.48 -2.02 121.20 122.90 1f96 s ILE 83 Ca 0.60 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1f96 s ILE 83 Cb -0.36 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 1f96 s ILE 83 CO 0.34 0.55 -0.04 -0.22 0.00 0.00 0.00 174.94 175.57 1f96 s LEU 84 N 0.16 2.09 -0.14 2.97 2.96 -0.62 -1.37 118.68 124.74 1f96 s LEU 84 Ca -0.10 -0.22 -0.20 0.00 -0.22 0.00 0.00 54.13 53.38 1f96 s LEU 84 Cb -0.16 -0.11 0.05 0.00 0.50 0.00 0.00 46.19 46.47 1f96 s LEU 84 CO 0.06 -0.07 0.52 -0.22 -1.32 0.00 0.00 176.35 175.32 1f96 s LEU 85 N -0.60 -0.00 -0.30 -0.68 2.96 -0.69 -1.80 118.68 117.57 1f96 s LEU 85 Ca -0.04 0.85 -0.17 0.00 -0.22 0.00 0.00 54.13 54.55 1f96 s LEU 85 Cb -0.04 1.87 0.22 0.00 0.50 0.00 0.00 46.19 48.73 1f96 s LEU 85 CO -0.00 -0.31 1.31 0.72 -1.32 0.00 0.00 176.35 176.75 1f96 s PHE 86 N -0.25 -0.01 0.43 5.38 -0.12 -0.81 -1.19 117.98 121.42 1f96 s PHE 86 Ca -0.04 0.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.93 1f96 s PHE 86 Cb -0.03 0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.41 1f96 s PHE 86 CO 0.03 -0.00 0.58 -1.59 -0.05 0.00 0.00 175.22 174.19 1f96 s LYS 87 N 0.93 2.79 -0.01 1.99 0.00 -1.14 0.17 119.74 124.48 1f96 s LYS 87 Ca -0.07 -1.27 0.00 0.00 0.00 0.00 0.00 55.97 54.63 1f96 s LYS 87 Cb -0.02 -2.75 0.01 0.00 0.00 0.00 0.00 37.83 35.07 1f96 s LYS 87 CO -0.10 -0.31 0.00 0.45 0.00 0.00 0.00 175.35 175.39 1f96 s SER 88 N -4.37 0.09 0.00 0.03 0.15 0.28 -3.19 113.70 106.69 1f96 s SER 88 Ca 0.55 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1f96 s SER 88 Cb -0.10 -0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.21 1f96 s SER 88 CO 0.33 -0.03 0.52 0.61 1.20 0.00 0.00 173.24 175.88