#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 2.36 6.60 0.94 0.00 -1.08 -1.26 -5.00 116.67 119.23 1f96 s ASP 3 Ca 0.55 2.77 0.00 0.00 -0.52 0.00 0.00 52.55 55.35 1f96 s ASP 3 Cb 0.22 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1f96 s ASP 3 CO -0.02 -0.71 0.00 0.54 0.52 0.00 0.00 175.17 175.50 1f96 n ARG 4 N 1.61 -1.75 0.00 4.34 3.00 -1.26 -4.98 116.66 117.62 1f96 n ARG 4 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.88 1f96 n ARG 4 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.86 1f96 n ARG 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1f96 n LYS 5 N -1.85 0.00 -1.59 5.56 3.00 -1.26 -5.13 118.16 116.89 1f96 n LYS 5 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 58.31 57.74 1f96 n LYS 5 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 1f96 n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f96 n ALA 6 N 0.00 -2.00 -2.82 3.14 0.00 -1.26 -4.94 120.51 112.63 1f96 n ALA 6 Ca 0.00 0.53 -0.36 0.00 0.00 0.00 0.00 53.44 53.61 1f96 n ALA 6 Cb 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 19.45 17.43 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 0.98 5.44 -0.03 0.00 -7.23 -0.12 -4.90 120.40 114.54 1f96 s VAL 7 Ca 0.91 0.19 -0.08 0.00 -1.81 0.00 0.00 61.98 61.20 1f96 s VAL 7 Cb -1.16 -3.41 -0.05 0.00 0.56 0.00 0.00 36.38 32.32 1f96 s VAL 7 CO 0.58 0.55 0.25 -0.63 -0.31 0.00 0.00 175.10 175.54 1f96 s ILE 8 N -0.51 5.33 0.00 -0.62 1.09 -1.26 -0.34 121.20 124.89 1f96 s ILE 8 Ca 0.12 0.25 0.06 0.00 -1.10 0.00 0.00 60.65 59.98 1f96 s ILE 8 Cb -0.12 -3.54 0.09 0.00 -1.06 0.00 0.00 42.46 37.84 1f96 s ILE 8 CO 0.02 0.46 0.91 2.29 -0.10 0.00 0.00 174.94 178.51 1f96 n LYS 9 N 1.43 0.00 -2.29 2.79 2.85 -0.99 -4.92 118.16 117.03 1f96 n LYS 9 Ca -0.14 -0.95 -0.03 0.00 -1.05 0.00 0.00 58.31 56.14 1f96 n LYS 9 Cb 0.53 -0.12 0.04 0.00 -0.65 0.00 0.00 35.03 34.83 1f96 n LYS 9 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1f96 n ASN 10 N 0.11 -0.96 -4.76 -5.58 3.02 -1.22 -4.98 115.26 100.90 1f96 n ASN 10 Ca -0.03 -1.69 -0.41 0.00 -0.03 0.00 0.00 54.58 52.42 1f96 n ASN 10 Cb 0.74 0.60 -0.02 0.00 -0.61 0.00 0.00 39.78 40.50 1f96 n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f96 s ALA 11 N 0.07 3.62 -0.42 5.41 0.00 -1.26 -3.53 121.76 125.64 1f96 s ALA 11 Ca 0.06 1.41 0.08 0.00 0.00 0.00 0.00 51.96 53.52 1f96 s ALA 11 Cb 0.18 -3.57 0.36 0.00 0.00 0.00 0.00 23.12 20.09 1f96 s ALA 11 CO -0.05 -0.83 1.22 -0.25 0.00 0.00 0.00 175.76 175.85 1f96 n ASP 12 N 1.66 -1.91 -3.61 0.00 8.00 0.05 -4.97 116.55 115.78 1f96 n ASP 12 Ca 0.05 -3.04 -0.03 0.00 0.71 0.00 0.00 54.79 52.47 1f96 n ASP 12 Cb 0.40 1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 42.81 1f96 n ASP 12 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1f96 s MET 13 N 0.04 0.56 0.17 -1.24 1.75 -1.23 -1.93 119.30 117.42 1f96 s MET 13 Ca 0.23 -0.26 -0.31 0.00 -1.25 0.00 0.00 55.69 54.10 1f96 s MET 13 Cb 0.35 0.22 -0.17 0.00 2.84 0.00 0.00 34.83 38.07 1f96 s MET 13 CO -0.07 -0.25 0.74 0.43 -0.65 0.00 0.00 175.02 175.22 1f96 n SER 14 N -0.30 -0.48 -0.17 1.11 7.64 -1.26 -4.61 113.62 115.55 1f96 n SER 14 Ca -0.05 1.14 -0.02 0.00 1.01 0.00 0.00 58.87 60.96 1f96 n SER 14 Cb 0.61 -1.01 0.07 0.00 -1.01 0.00 0.00 64.21 62.86 1f96 n SER 14 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f96 h GLU 15 N 1.69 0.10 -0.65 1.43 5.08 -2.00 -0.04 114.58 120.19 1f96 h GLU 15 Ca -0.35 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1f96 h GLU 15 Cb 1.42 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.61 1f96 h GLU 15 CO 0.60 0.07 0.36 1.05 -1.00 0.00 0.00 179.01 180.09 1f96 h GLU 16 N 0.10 0.91 -0.15 2.33 4.11 -1.98 0.12 114.58 120.02 1f96 h GLU 16 Ca 0.27 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.58 1f96 h GLU 16 Cb 0.41 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1f96 h GLU 16 CO -0.45 0.68 0.07 0.52 0.07 0.00 0.00 179.01 179.90 1f96 h MET 17 N 0.89 0.22 -0.51 1.06 2.86 -1.62 0.76 114.93 118.59 1f96 h MET 17 Ca 0.23 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.75 1f96 h MET 17 Cb 0.03 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1f96 h MET 17 CO -0.04 0.29 -0.01 -0.56 1.06 0.00 0.00 176.91 177.65 1f96 h GLN 18 N 0.10 0.86 -0.66 1.72 3.07 -0.90 -1.51 115.11 117.79 1f96 h GLN 18 Ca 0.05 -0.25 -0.07 0.00 0.09 0.00 0.00 58.65 58.47 1f96 h GLN 18 Cb 0.15 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.59 1f96 h GLN 18 CO -0.01 0.87 0.13 0.37 0.09 0.00 0.00 178.83 180.28 1f96 h GLN 19 N 0.80 1.09 -0.41 0.06 5.75 -0.52 -0.86 115.11 121.02 1f96 h GLN 19 Ca 0.15 -0.28 -0.11 0.00 -0.15 0.00 0.00 58.65 58.26 1f96 h GLN 19 Cb 0.49 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1f96 h GLN 19 CO 0.02 0.99 -0.20 0.22 -2.65 0.00 0.00 178.83 177.21 1f96 h ASP 20 N 1.01 0.81 -0.41 -0.69 1.82 -0.58 0.03 116.42 118.41 1f96 h ASP 20 Ca 0.20 -0.28 -0.08 0.00 -0.39 0.00 0.00 57.03 56.48 1f96 h ASP 20 Cb 0.41 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 1f96 h ASP 20 CO 0.01 0.99 -0.07 0.77 -1.61 0.00 0.00 179.24 179.33 1f96 h SER 21 N 0.70 0.78 -0.13 2.28 4.64 -1.02 0.72 113.55 121.52 1f96 h SER 21 Ca 0.10 -0.35 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1f96 h SER 21 Cb 0.71 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1f96 h SER 21 CO 0.05 0.95 0.02 0.58 -0.87 0.00 0.00 176.83 177.56 1f96 h VAL 22 N 0.60 1.22 -0.50 0.95 2.07 -1.00 0.17 116.25 119.75 1f96 h VAL 22 Ca 0.11 -0.70 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1f96 h VAL 22 Cb 0.59 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 1f96 h VAL 22 CO 0.04 0.20 -0.06 -0.08 0.02 0.00 0.00 177.57 177.69 1f96 h GLU 23 N -0.01 0.93 -0.13 1.57 4.81 -0.94 -2.14 114.58 118.67 1f96 h GLU 23 Ca 0.04 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 1f96 h GLU 23 Cb 0.30 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1f96 h GLU 23 CO 0.00 0.98 -0.17 0.00 -0.73 0.00 0.00 179.01 179.09 1f96 h ALA 25 N 1.63 0.49 -0.56 0.00 0.00 -0.34 -2.18 119.26 118.30 1f96 h ALA 25 Ca 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1f96 h ALA 25 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1f96 h ALA 25 CO 0.03 0.56 0.37 1.15 0.00 0.00 0.00 179.25 181.36 1f96 h THR 26 N 0.61 1.14 -0.87 0.00 2.02 -0.98 -1.93 112.91 112.90 1f96 h THR 26 Ca 0.05 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 1f96 h THR 26 Cb 0.94 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1f96 h THR 26 CO 0.09 0.14 0.55 -0.61 0.37 0.00 0.00 175.52 176.05 1f96 h GLN 27 N 0.75 1.17 -0.52 6.66 4.15 -1.34 -2.36 115.11 123.63 1f96 h GLN 27 Ca 0.20 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.59 1f96 h GLN 27 Cb -0.09 -0.25 -0.06 0.00 0.21 0.00 0.00 27.48 27.29 1f96 h GLN 27 CO -0.04 0.81 0.21 0.00 -1.93 0.00 0.00 178.83 177.87 1f96 h ALA 28 N 1.30 0.65 -0.34 3.38 0.00 -0.70 0.92 119.26 124.46 1f96 h ALA 28 Ca 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1f96 h ALA 28 Cb -0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1f96 h ALA 28 CO -0.06 -0.18 0.17 -0.07 0.00 0.00 0.00 179.25 179.11 1f96 h LEU 29 N 0.40 0.44 -1.35 0.00 3.38 -1.00 0.75 115.31 117.93 1f96 h LEU 29 Ca 0.25 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1f96 h LEU 29 Cb 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1f96 h LEU 29 CO -0.23 0.43 0.03 -0.33 0.09 0.00 0.00 178.44 178.43 1f96 h GLU 30 N 0.41 0.47 0.14 1.13 5.08 -0.92 0.74 114.58 121.63 1f96 h GLU 30 Ca 0.12 -0.08 -0.34 0.00 -1.00 0.00 0.00 59.36 58.05 1f96 h GLU 30 Cb 0.10 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1f96 h GLU 30 CO -0.02 0.47 -1.74 1.57 -1.00 0.00 0.00 179.01 178.29 1f96 h LYS 31 N 0.46 0.31 0.00 2.33 2.10 -0.49 -3.44 116.57 117.84 1f96 h LYS 31 Ca 0.10 -0.52 -0.01 0.00 -2.00 0.00 0.00 60.65 58.22 1f96 h LYS 31 Cb 0.25 0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1f96 h LYS 31 CO 0.00 1.19 -1.04 0.66 -2.00 0.00 0.00 179.45 178.27 1f96 n TYR 32 N -3.50 0.00 -3.15 0.07 4.01 0.26 -5.05 117.16 109.80 1f96 n TYR 32 Ca -0.23 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.36 1f96 n TYR 32 Cb 1.06 -0.02 0.06 0.00 -0.31 0.00 0.00 39.34 40.13 1f96 n TYR 32 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1f96 n ASN 33 N -2.89 -3.07 -3.73 7.72 5.15 0.26 -4.96 115.26 113.74 1f96 n ASN 33 Ca -0.01 -0.44 -0.12 0.00 -0.60 0.00 0.00 54.58 53.40 1f96 n ASN 33 Cb 0.51 -3.93 -0.11 0.00 -0.53 0.00 0.00 39.78 35.71 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 -3.26 -0.02 0.14 -1.44 1.01 -1.26 -5.03 121.20 111.34 1f96 s ILE 34 Ca 0.14 0.06 -0.32 0.00 0.00 0.00 0.00 60.65 60.53 1f96 s ILE 34 Cb -0.06 -0.50 -0.10 0.00 0.01 0.00 0.00 42.46 41.81 1f96 s ILE 34 CO 0.54 0.03 1.55 -0.33 0.00 0.00 0.00 174.94 176.73 1f96 h GLU 35 N 6.44 -0.32 0.33 2.79 5.08 -1.96 -0.34 114.58 126.60 1f96 h GLU 35 Ca -0.33 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1f96 h GLU 35 Cb 1.18 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1f96 h GLU 35 CO 0.31 -0.21 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.49 1f96 h LYS 36 N -0.33 -0.75 -0.75 2.33 3.64 -1.98 -2.86 116.57 115.87 1f96 h LYS 36 Ca 0.09 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.67 1f96 h LYS 36 Cb 0.57 0.17 -0.10 0.00 -0.41 0.00 0.00 32.23 32.46 1f96 h LYS 36 CO -0.65 -0.50 0.29 -0.44 -2.27 0.00 0.00 179.45 175.88 1f96 h ASP 37 N -0.77 0.25 -0.02 4.20 3.32 -1.90 -0.51 116.42 120.98 1f96 h ASP 37 Ca -0.02 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1f96 h ASP 37 Cb 0.71 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.31 1f96 h ASP 37 CO -0.11 0.09 -0.41 0.40 -1.72 0.00 0.00 179.24 177.49 1f96 h ILE 38 N 0.42 0.16 0.00 0.35 2.04 -0.84 -0.71 117.51 118.93 1f96 h ILE 38 Ca 0.41 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.26 1f96 h ILE 38 Cb 0.64 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1f96 h ILE 38 CO -0.41 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 177.69 1f96 h ALA 39 N 0.01 1.05 0.34 1.87 0.00 -1.30 -2.30 119.26 118.93 1f96 h ALA 39 Ca 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1f96 h ALA 39 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1f96 h ALA 39 CO -0.32 0.06 -0.16 0.00 0.00 0.00 0.00 179.25 178.83 1f96 h ALA 40 N 1.95 -0.74 -0.31 0.00 0.00 0.41 -1.83 119.26 118.73 1f96 h ALA 40 Ca -0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1f96 h ALA 40 Cb 0.42 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1f96 h ALA 40 CO 0.01 -0.71 -0.33 1.12 0.00 0.00 0.00 179.25 179.34 1f96 h HIS 41 N -0.65 0.94 -0.20 0.00 2.07 -1.50 -2.55 115.15 113.27 1f96 h HIS 41 Ca -0.05 -0.29 -0.00 0.00 -2.85 0.00 0.00 60.37 57.19 1f96 h HIS 41 Cb 0.35 -0.20 -0.01 0.00 2.57 0.00 0.00 27.41 30.12 1f96 h HIS 41 CO 0.07 1.06 0.11 0.82 -3.07 0.00 0.00 177.93 176.92 1f96 h ILE 42 N 0.55 1.09 0.26 6.12 2.04 -1.55 -0.12 117.51 125.90 1f96 h ILE 42 Ca 0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1f96 h ILE 42 Cb 0.91 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1f96 h ILE 42 CO 0.08 0.09 -0.13 0.50 0.00 0.00 0.00 178.15 178.70 1f96 h LYS 43 N 0.23 -0.34 -0.76 2.37 3.64 -1.37 -2.44 116.57 117.90 1f96 h LYS 43 Ca 0.07 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1f96 h LYS 43 Cb 0.04 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.88 1f96 h LYS 43 CO -0.01 -0.18 0.46 0.87 -2.27 0.00 0.00 179.45 178.31 1f96 h LYS 44 N -0.41 0.81 -0.24 1.90 1.57 -1.40 -1.17 116.57 117.63 1f96 h LYS 44 Ca -0.04 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1f96 h LYS 44 Cb 0.31 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1f96 h LYS 44 CO 0.06 0.54 -0.00 1.49 -0.57 0.00 0.00 179.45 180.97 1f96 h GLU 45 N 0.84 0.07 -0.48 3.15 4.81 -0.85 -1.84 114.58 120.29 1f96 h GLU 45 Ca 0.33 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1f96 h GLU 45 Cb 0.16 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1f96 h GLU 45 CO -0.17 0.05 0.07 0.74 -0.73 0.00 0.00 179.01 178.97 1f96 h PHE 46 N 0.07 0.84 -0.76 0.92 0.04 -1.05 -0.37 116.94 116.63 1f96 h PHE 46 Ca 0.11 -0.12 0.09 0.00 2.80 0.00 0.00 57.97 60.86 1f96 h PHE 46 Cb 0.15 -0.23 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 1f96 h PHE 46 CO -0.19 0.78 0.50 -0.44 -0.60 0.00 0.00 178.31 178.36 1f96 h ASP 47 N 0.66 0.62 0.23 2.17 3.32 -0.89 0.54 116.42 123.07 1f96 h ASP 47 Ca 0.14 0.01 -0.35 0.00 0.02 0.00 0.00 57.03 56.86 1f96 h ASP 47 Cb 0.40 -0.12 0.02 0.00 0.22 0.00 0.00 39.33 39.86 1f96 h ASP 47 CO 0.01 0.38 -1.62 0.50 -1.72 0.00 0.00 179.24 176.79 1f96 h LYS 48 N 0.69 0.47 0.08 3.56 1.63 -1.12 -2.17 116.57 119.72 1f96 h LYS 48 Ca 0.35 -0.80 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1f96 h LYS 48 Cb 0.43 0.30 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1f96 h LYS 48 CO -0.13 1.38 -0.04 -0.22 -3.45 0.00 0.00 179.45 177.00 1f96 h LYS 49 N 0.13 -0.11 0.00 1.90 1.63 -0.63 -3.38 116.57 116.12 1f96 h LYS 49 Ca -0.30 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1f96 h LYS 49 Cb 2.14 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.79 1f96 h LYS 49 CO 0.23 -0.00 -0.66 1.88 -3.45 0.00 0.00 179.45 177.44 1f96 h TYR 50 N -1.02 0.00 0.00 1.91 -1.99 -0.17 -3.51 116.97 112.19 1f96 h TYR 50 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1f96 h TYR 50 Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.88 1f96 h TYR 50 CO 0.02 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.27 1f96 n ASN 51 N -2.49 -0.09 -4.56 3.88 5.03 -0.70 -4.99 115.26 111.34 1f96 n ASN 51 Ca 0.02 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.18 1f96 n ASN 51 Cb 0.50 0.17 0.22 0.00 -1.02 0.00 0.00 39.78 39.64 1f96 n ASN 51 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1f96 s PRO 52 N -4.64 -0.26 -0.15 3.52 0.02 -0.92 -4.51 135.00 128.07 1f96 s PRO 52 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 61.00 61.98 1f96 s PRO 52 Cb 0.00 -1.62 -0.00 0.00 0.02 0.00 0.00 34.50 32.89 1f96 s PRO 52 CO 0.00 -3.32 -0.16 -0.08 -0.33 0.00 0.00 177.00 173.12 1f96 s THR 53 N -2.58 2.68 -0.16 0.99 -1.32 -0.84 -4.76 115.64 109.65 1f96 s THR 53 Ca 0.67 -0.77 -0.09 0.00 -1.21 0.00 0.00 61.69 60.29 1f96 s THR 53 Cb -0.23 -2.12 -0.05 0.00 -1.51 0.00 0.00 72.50 68.59 1f96 s THR 53 CO 0.62 0.52 0.14 0.26 -2.21 0.00 0.00 174.62 173.95 1f96 s TRP 54 N 0.71 3.50 -0.11 9.09 0.52 -1.26 0.32 118.94 131.72 1f96 s TRP 54 Ca -0.07 0.44 -0.00 0.00 0.02 0.00 0.00 56.10 56.49 1f96 s TRP 54 Cb -0.16 -2.06 -0.02 0.00 -1.15 0.00 0.00 33.47 30.08 1f96 s TRP 54 CO 0.01 0.50 -0.10 -1.01 0.02 0.00 0.00 176.95 176.38 1f96 s HIS 55 N -0.30 2.87 0.00 -1.98 3.76 0.79 -4.94 115.29 115.49 1f96 s HIS 55 Ca 0.12 -0.35 0.02 0.00 -0.15 0.00 0.00 55.06 54.69 1f96 s HIS 55 Cb -0.12 -1.81 -0.01 0.00 1.11 0.00 0.00 32.58 31.76 1f96 s HIS 55 CO 0.01 0.01 -0.05 0.00 -0.85 0.00 0.00 174.74 173.86 1f96 s ILE 57 N -0.34 0.67 -0.21 0.00 1.09 -0.45 -4.92 121.20 117.04 1f96 s ILE 57 Ca -0.00 -1.07 -0.16 0.00 -1.10 0.00 0.00 60.65 58.32 1f96 s ILE 57 Cb -0.03 -0.70 0.06 0.00 -1.06 0.00 0.00 42.46 40.73 1f96 s ILE 57 CO -0.00 -0.30 0.55 -0.69 -0.10 0.00 0.00 174.94 174.39 1f96 s VAL 58 N -1.26 -0.01 0.00 2.92 1.01 -1.26 -0.07 120.40 121.74 1f96 s VAL 58 Ca -0.07 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1f96 s VAL 58 Cb -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1f96 s VAL 58 CO 0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1f96 n GLY 59 N 3.54 -0.76 1.61 4.51 0.00 -0.69 -4.72 105.19 108.68 1f96 n GLY 59 Ca -0.18 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.04 0.00 1.61 1.85 -1.26 -0.01 116.66 118.89 1f96 n ARG 60 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 1f96 n ARG 60 Cb 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.42 1f96 n ARG 60 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1f96 n ASN 61 N -0.08 0.00 -3.64 2.89 4.05 -1.26 -5.01 115.26 112.20 1f96 n ASN 61 Ca -0.02 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.96 1f96 n ASN 61 Cb 0.52 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.46 1f96 n ASN 61 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1f96 s PHE 62 N 0.00 -0.38 -0.10 1.20 -0.71 -1.26 -5.14 117.98 111.59 1f96 s PHE 62 Ca 0.00 0.85 -0.26 0.00 -1.04 0.00 0.00 56.93 56.48 1f96 s PHE 62 Cb 0.00 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.14 1f96 s PHE 62 CO 0.00 -0.18 0.84 0.20 -1.34 0.00 0.00 175.22 174.74 1f96 s GLY 63 N 0.56 2.42 0.02 1.99 0.00 -1.26 -5.05 107.32 105.99 1f96 s GLY 63 Ca -0.00 0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.96 1f96 s GLY 63 CO -0.11 1.56 -0.13 -0.56 0.00 0.00 0.00 173.10 173.86 1f96 s SER 64 N 1.03 4.13 -0.19 1.64 0.01 -1.26 -5.11 113.70 113.94 1f96 s SER 64 Ca 0.42 -0.30 -0.07 0.00 1.31 0.00 0.00 55.95 57.30 1f96 s SER 64 Cb -0.18 -0.81 0.08 0.00 0.21 0.00 0.00 66.02 65.33 1f96 s SER 64 CO 0.17 0.27 0.40 -0.47 0.41 0.00 0.00 173.24 174.03 1f96 s TYR 65 N -0.93 -0.72 0.21 2.43 5.04 -1.26 -5.17 117.35 116.95 1f96 s TYR 65 Ca 0.15 1.42 -0.19 0.00 -2.44 0.00 0.00 57.07 56.02 1f96 s TYR 65 Cb -0.11 0.27 0.03 0.00 0.35 0.00 0.00 41.96 42.50 1f96 s TYR 65 CO 0.06 -0.44 0.57 0.08 -1.34 0.00 0.00 175.55 174.48 1f96 s VAL 66 N 2.30 0.02 0.09 3.14 1.01 -1.26 -5.17 120.40 120.53 1f96 s VAL 66 Ca -0.03 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1f96 s VAL 66 Cb -0.11 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1f96 s VAL 66 CO -0.12 -0.07 -0.09 -0.89 0.00 0.00 0.00 175.10 173.92 1f96 s THR 67 N -3.87 3.44 -0.13 3.92 2.01 -1.26 -5.13 115.64 114.62 1f96 s THR 67 Ca 0.09 -1.20 -0.29 0.00 0.31 0.00 0.00 61.69 60.59 1f96 s THR 67 Cb -0.02 -2.60 0.08 0.00 0.01 0.00 0.00 72.50 69.97 1f96 s THR 67 CO -0.02 0.14 0.75 -1.38 -0.69 0.00 0.00 174.62 173.42 1f96 s HIS 68 N -1.20 -0.65 0.42 4.92 -3.43 -1.26 -4.91 115.29 109.18 1f96 s HIS 68 Ca 0.21 1.28 -0.26 0.00 -0.80 0.00 0.00 55.06 55.49 1f96 s HIS 68 Cb -0.11 0.38 -0.09 0.00 -1.43 0.00 0.00 32.58 31.32 1f96 s HIS 68 CO 0.13 -0.50 1.43 -1.91 -2.00 0.00 0.00 174.74 171.90 1f96 n GLU 69 N 1.42 2.35 -1.44 -0.38 2.13 -1.19 -4.93 120.64 118.60 1f96 n GLU 69 Ca -0.16 0.83 -0.36 0.00 0.66 0.00 0.00 57.16 58.13 1f96 n GLU 69 Cb 0.57 -2.61 0.07 0.00 0.27 0.00 0.00 31.44 29.73 1f96 n GLU 69 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1f96 n THR 70 N 0.01 3.03 -3.30 6.31 -2.24 -1.26 -2.93 114.28 113.90 1f96 n THR 70 Ca 0.04 -0.43 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 1f96 n THR 70 Cb 0.40 -1.06 0.06 0.00 -2.10 0.00 0.00 70.33 67.63 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 -1.38 -6.05 -2.73 -0.78 4.76 -1.26 -4.93 118.16 105.79 1f96 n LYS 71 Ca 0.13 0.69 -0.09 0.00 -2.87 0.00 0.00 58.31 56.17 1f96 n LYS 71 Cb 0.49 -5.26 0.08 0.00 -1.84 0.00 0.00 35.03 28.50 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 -4.50 -2.89 -3.66 2.13 8.25 -1.05 -4.66 115.22 108.84 1f96 n HIS 72 Ca -0.01 -2.00 -0.14 0.00 -0.26 0.00 0.00 57.72 55.31 1f96 n HIS 72 Cb 0.56 1.61 -0.08 0.00 1.12 0.00 0.00 29.99 33.20 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 0.35 -0.67 -0.28 4.41 5.36 -0.81 -3.16 117.98 123.19 1f96 s PHE 73 Ca 0.24 1.59 -0.24 0.00 -0.96 0.00 0.00 56.93 57.56 1f96 s PHE 73 Cb 0.28 0.24 0.10 0.00 -0.34 0.00 0.00 43.02 43.30 1f96 s PHE 73 CO -0.10 -0.35 0.89 -1.50 -1.46 0.00 0.00 175.22 172.70 1f96 s ILE 74 N 0.18 0.00 -0.01 3.12 2.07 -0.65 -0.77 121.20 125.14 1f96 s ILE 74 Ca -0.01 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 1f96 s ILE 74 Cb -0.04 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.56 1f96 s ILE 74 CO 0.02 0.00 -0.04 -0.47 -1.91 0.00 0.00 174.94 172.54 1f96 s TYR 75 N 0.38 0.48 -0.28 3.50 5.04 -1.23 -2.07 117.35 123.17 1f96 s TYR 75 Ca 0.01 -0.09 -0.25 0.00 -2.44 0.00 0.00 57.07 54.30 1f96 s TYR 75 Cb -0.05 -0.37 0.10 0.00 0.35 0.00 0.00 41.96 41.99 1f96 s TYR 75 CO -0.04 -0.06 0.92 -0.59 -1.34 0.00 0.00 175.55 174.45 1f96 s PHE 76 N 0.25 -0.58 0.45 4.97 -0.12 -0.84 -2.34 117.98 119.77 1f96 s PHE 76 Ca -0.03 1.42 -0.22 0.00 -0.05 0.00 0.00 56.93 58.06 1f96 s PHE 76 Cb -0.06 0.33 -0.09 0.00 -0.63 0.00 0.00 43.02 42.57 1f96 s PHE 76 CO -0.00 -0.28 1.04 0.71 -0.05 0.00 0.00 175.22 176.63 1f96 s TYR 77 N 0.30 3.10 -0.29 3.49 2.02 0.54 -1.76 117.35 124.75 1f96 s TYR 77 Ca 0.02 1.60 -0.25 0.00 -0.37 0.00 0.00 57.07 58.07 1f96 s TYR 77 Cb -0.05 -3.08 0.14 0.00 -0.40 0.00 0.00 41.96 38.57 1f96 s TYR 77 CO -0.04 -0.73 1.12 -1.17 -1.57 0.00 0.00 175.55 173.16 1f96 s LEU 78 N -3.19 -0.36 -1.41 -1.29 2.96 -0.29 -0.94 118.68 114.15 1f96 s LEU 78 Ca 0.64 0.69 -0.09 0.00 -0.22 0.00 0.00 54.13 55.16 1f96 s LEU 78 Cb -0.18 1.70 0.04 0.00 0.50 0.00 0.00 46.19 48.25 1f96 s LEU 78 CO 0.22 -0.12 1.00 0.61 -1.32 0.00 0.00 176.35 176.74 1f96 n GLY 79 N 2.12 -0.46 3.19 7.98 0.00 -1.26 -1.20 105.19 115.56 1f96 n GLY 79 Ca -0.12 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.66 -4.04 -3.65 1.61 3.00 -1.26 -4.94 117.38 103.43 1f96 n GLN 80 Ca -0.06 0.67 -0.11 0.00 -0.01 0.00 0.00 57.00 57.50 1f96 n GLN 80 Cb 0.58 -5.45 -0.08 0.00 0.00 0.00 0.00 30.24 25.29 1f96 n GLN 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1f96 s VAL 81 N -3.03 -0.00 0.13 5.09 -7.23 -0.34 -4.89 120.40 110.13 1f96 s VAL 81 Ca 0.35 0.01 -0.31 0.00 -1.81 0.00 0.00 61.98 60.22 1f96 s VAL 81 Cb -0.17 -0.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 1f96 s VAL 81 CO 0.43 0.00 1.31 0.00 -0.31 0.00 0.00 175.10 176.53 1f96 s ALA 82 N 0.98 3.51 -0.08 1.32 0.00 0.98 -1.13 121.76 127.34 1f96 s ALA 82 Ca -0.05 1.04 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1f96 s ALA 82 Cb -0.05 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1f96 s ALA 82 CO -0.09 -0.53 -0.18 0.42 0.00 0.00 0.00 175.76 175.38 1f96 s ILE 83 N 0.73 2.66 0.02 0.00 1.01 -0.72 -1.70 121.20 123.20 1f96 s ILE 83 Ca 0.60 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 60.46 1f96 s ILE 83 Cb -0.35 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1f96 s ILE 83 CO 0.33 0.56 -0.15 -0.22 0.00 0.00 0.00 174.94 175.46 1f96 s LEU 84 N -0.17 2.11 -0.11 2.97 2.96 0.91 -1.99 118.68 125.36 1f96 s LEU 84 Ca -0.02 -0.39 -0.19 0.00 -0.22 0.00 0.00 54.13 53.32 1f96 s LEU 84 Cb -0.14 -0.69 0.04 0.00 0.50 0.00 0.00 46.19 45.91 1f96 s LEU 84 CO 0.03 0.10 0.48 -0.22 -1.32 0.00 0.00 176.35 175.42 1f96 s LEU 85 N -0.83 0.18 0.00 -0.68 2.96 -0.88 -1.33 118.68 118.10 1f96 s LEU 85 Ca 0.04 0.70 0.00 0.00 -0.22 0.00 0.00 54.13 54.65 1f96 s LEU 85 Cb -0.07 1.72 0.00 0.00 0.50 0.00 0.00 46.19 48.34 1f96 s LEU 85 CO 0.01 -0.32 0.00 2.22 -1.32 0.00 0.00 176.35 176.93 1f96 n PHE 86 N 2.07 0.00 -2.92 5.38 1.16 -0.58 -1.63 117.46 120.94 1f96 n PHE 86 Ca -0.17 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.23 1f96 n PHE 86 Cb 0.56 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.45 1f96 n PHE 86 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 1f96 s LYS 87 N -0.37 2.73 -0.10 3.97 -2.85 -1.19 -0.15 119.74 121.79 1f96 s LYS 87 Ca 0.00 -1.14 -0.06 0.00 -1.00 0.00 0.00 55.97 53.76 1f96 s LYS 87 Cb 0.00 -2.69 0.04 0.00 -2.06 0.00 0.00 37.83 33.12 1f96 s LYS 87 CO 0.00 -0.40 0.25 -1.12 0.10 0.00 0.00 175.35 174.17 1f96 s SER 88 N -4.38 -0.27 0.00 0.03 0.01 0.15 -3.18 113.70 106.06 1f96 s SER 88 Ca 0.56 0.52 0.00 0.00 1.31 0.00 0.00 55.95 58.34 1f96 s SER 88 Cb -0.10 0.44 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1f96 s SER 88 CO 0.35 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.46