#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f96 n ASP 3 N -0.16 -8.03 -1.40 0.00 9.92 -1.26 -5.01 116.55 110.61 1f96 n ASP 3 Ca 0.00 1.39 0.00 0.00 -0.53 0.00 0.00 54.79 55.65 1f96 n ASP 3 Cb 0.00 -4.53 0.00 0.00 -0.64 0.00 0.00 41.12 35.95 1f96 n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1f96 n ARG 4 N -1.53 -3.92 0.00 -1.24 3.00 -1.26 -5.10 116.66 106.61 1f96 n ARG 4 Ca 0.00 2.83 0.00 0.00 -0.01 0.00 0.00 57.85 60.67 1f96 n ARG 4 Cb 0.17 -3.12 0.00 0.00 0.00 0.00 0.00 32.46 29.51 1f96 n ARG 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1f96 n LYS 5 N 0.21 0.00 -1.79 5.56 4.76 -1.26 -4.93 118.16 120.71 1f96 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1f96 n LYS 5 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 -2.15 -2.24 7.82 0.00 -1.26 -4.94 120.51 114.75 1f96 n ALA 6 Ca 0.00 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 1f96 n ALA 6 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.17 4.67 -0.21 0.00 -7.23 0.37 -4.86 120.40 111.97 1f96 s VAL 7 Ca 0.00 1.36 -0.13 0.00 -1.81 0.00 0.00 61.98 61.39 1f96 s VAL 7 Cb 0.00 -3.97 -0.04 0.00 0.56 0.00 0.00 36.38 32.93 1f96 s VAL 7 CO 0.00 0.52 0.29 -0.63 -0.31 0.00 0.00 175.10 174.97 1f96 s ILE 8 N -0.95 5.28 -0.14 -0.62 1.09 -1.26 -0.39 121.20 124.20 1f96 s ILE 8 Ca 0.31 0.48 -0.03 0.00 -1.10 0.00 0.00 60.65 60.31 1f96 s ILE 8 Cb -0.20 -3.63 -0.24 0.00 -1.06 0.00 0.00 42.46 37.33 1f96 s ILE 8 CO 0.21 0.30 0.28 0.29 -0.10 0.00 0.00 174.94 175.92 1f96 n LYS 9 N 4.30 0.73 -3.64 2.79 4.76 -0.79 -4.98 118.16 121.33 1f96 n LYS 9 Ca -0.11 0.24 -0.06 0.00 -2.87 0.00 0.00 58.31 55.50 1f96 n LYS 9 Cb 0.52 -1.68 -0.07 0.00 -1.84 0.00 0.00 35.03 31.96 1f96 n LYS 9 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1f96 s ASN 10 N -6.83 -0.47 -0.22 4.39 4.22 -1.20 -5.05 114.94 109.77 1f96 s ASN 10 Ca -0.23 0.84 -0.17 0.00 -2.14 0.00 0.00 52.86 51.16 1f96 s ASN 10 Cb 0.07 1.00 0.06 0.00 1.28 0.00 0.00 41.25 43.66 1f96 s ASN 10 CO 0.75 -0.14 0.57 0.00 -2.04 0.00 0.00 177.10 176.23 1f96 s ALA 11 N 0.69 -1.44 -0.48 3.54 0.00 -1.26 -0.19 121.76 122.62 1f96 s ALA 11 Ca -0.02 1.77 0.06 0.00 0.00 0.00 0.00 51.96 53.77 1f96 s ALA 11 Cb -0.04 -1.04 0.39 0.00 0.00 0.00 0.00 23.12 22.43 1f96 s ALA 11 CO -0.10 -0.29 1.02 -0.25 0.00 0.00 0.00 175.76 176.13 1f96 n ASP 12 N 3.35 4.18 -4.06 0.00 8.00 0.49 -4.91 116.55 123.60 1f96 n ASP 12 Ca -0.17 -3.60 -0.10 0.00 0.71 0.00 0.00 54.79 51.64 1f96 n ASP 12 Cb 0.56 -0.51 -0.11 0.00 -0.02 0.00 0.00 41.12 41.05 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 -3.43 0.53 0.28 -1.24 1.75 -0.98 -0.56 119.30 115.65 1f96 s MET 13 Ca 0.46 -0.91 -0.27 0.00 -1.25 0.00 0.00 55.69 53.73 1f96 s MET 13 Cb 0.36 -0.04 -0.15 0.00 2.84 0.00 0.00 34.83 37.83 1f96 s MET 13 CO -0.15 -0.03 0.71 0.43 -0.65 0.00 0.00 175.02 175.34 1f96 n SER 14 N 0.96 -0.19 -0.17 1.11 7.64 -1.26 -4.71 113.62 116.99 1f96 n SER 14 Ca -0.19 1.10 -0.01 0.00 1.01 0.00 0.00 58.87 60.78 1f96 n SER 14 Cb 0.57 -1.11 0.08 0.00 -1.01 0.00 0.00 64.21 62.74 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 1.35 0.27 -0.59 1.43 5.08 -2.00 -1.87 114.58 118.26 1f96 h GLU 15 Ca -0.35 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1f96 h GLU 15 Cb 1.39 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1f96 h GLU 15 CO 0.57 0.18 0.37 1.05 -1.00 0.00 0.00 179.01 180.18 1f96 h GLU 16 N 0.28 0.79 0.00 2.33 4.11 -2.00 -1.88 114.58 118.21 1f96 h GLU 16 Ca 0.27 -0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.64 1f96 h GLU 16 Cb 0.36 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1f96 h GLU 16 CO -0.33 0.55 -0.00 0.52 0.07 0.00 0.00 179.01 179.82 1f96 h MET 17 N 0.80 -0.01 -0.69 1.06 2.86 -1.73 -1.88 114.93 115.33 1f96 h MET 17 Ca 0.21 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1f96 h MET 17 Cb -0.05 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 1f96 h MET 17 CO -0.04 -0.00 0.46 -0.56 1.06 0.00 0.00 176.91 177.82 1f96 h GLN 18 N -0.01 0.86 -0.60 1.72 3.07 -1.22 0.43 115.11 119.37 1f96 h GLN 18 Ca -0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 1f96 h GLN 18 Cb 0.01 -0.19 -0.03 0.00 0.08 0.00 0.00 27.48 27.34 1f96 h GLN 18 CO 0.00 0.57 0.27 1.96 0.09 0.00 0.00 178.83 181.72 1f96 h GLN 19 N 0.89 0.88 -0.30 0.06 1.08 -0.93 0.91 115.11 117.70 1f96 h GLN 19 Ca 0.26 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 1f96 h GLN 19 Cb -0.03 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 1f96 h GLN 19 CO -0.07 0.72 -0.29 0.22 -0.95 0.00 0.00 178.83 178.47 1f96 h ASP 20 N 0.82 0.63 -0.47 1.46 3.58 -0.53 -1.24 116.42 120.67 1f96 h ASP 20 Ca 0.20 -0.24 -0.10 0.00 0.42 0.00 0.00 57.03 57.31 1f96 h ASP 20 Cb 0.15 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1f96 h ASP 20 CO -0.02 0.89 -0.10 0.77 -2.88 0.00 0.00 179.24 177.89 1f96 h SER 21 N 0.53 0.90 0.06 2.28 4.64 -0.50 0.64 113.55 122.10 1f96 h SER 21 Ca 0.07 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1f96 h SER 21 Cb 0.77 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1f96 h SER 21 CO 0.06 1.05 -0.03 0.58 -0.87 0.00 0.00 176.83 177.62 1f96 h VAL 22 N 0.74 1.04 -0.39 0.95 2.07 -0.64 0.32 116.25 120.35 1f96 h VAL 22 Ca 0.12 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 1f96 h VAL 22 Cb 0.65 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1f96 h VAL 22 CO 0.04 0.08 0.10 -0.08 0.02 0.00 0.00 177.57 177.74 1f96 h GLU 23 N -0.22 0.61 -0.21 1.57 4.81 -1.18 -1.91 114.58 118.05 1f96 h GLU 23 Ca -0.01 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1f96 h GLU 23 Cb 0.19 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1f96 h GLU 23 CO 0.01 0.63 0.13 0.00 -0.73 0.00 0.00 179.01 179.06 1f96 h ALA 25 N 1.87 0.57 -0.59 0.00 0.00 0.20 -2.19 119.26 119.12 1f96 h ALA 25 Ca 0.08 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1f96 h ALA 25 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1f96 h ALA 25 CO -0.02 0.63 0.34 1.15 0.00 0.00 0.00 179.25 181.35 1f96 h THR 26 N 0.73 1.01 -0.93 0.00 2.02 -0.49 -0.93 112.91 114.32 1f96 h THR 26 Ca 0.07 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1f96 h THR 26 Cb 0.91 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1f96 h THR 26 CO 0.08 0.12 0.59 1.56 0.37 0.00 0.00 175.52 178.24 1f96 h GLN 27 N 0.65 1.24 -0.50 6.66 4.20 -1.28 -2.30 115.11 123.79 1f96 h GLN 27 Ca 0.25 -0.09 0.10 0.00 0.06 0.00 0.00 58.65 58.96 1f96 h GLN 27 Cb 0.09 -0.27 -0.08 0.00 0.30 0.00 0.00 27.48 27.52 1f96 h GLN 27 CO -0.14 0.85 0.01 0.00 -0.67 0.00 0.00 178.83 178.88 1f96 h ALA 28 N 1.32 0.48 0.17 3.87 0.00 -0.53 0.78 119.26 125.35 1f96 h ALA 28 Ca 0.34 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 1f96 h ALA 28 Cb -0.10 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1f96 h ALA 28 CO -0.07 -0.38 -0.12 -0.07 0.00 0.00 0.00 179.25 178.61 1f96 h LEU 29 N 0.13 -0.30 -1.70 0.00 3.38 -0.89 0.79 115.31 116.71 1f96 h LEU 29 Ca 0.25 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1f96 h LEU 29 Cb 0.37 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1f96 h LEU 29 CO -0.41 -0.19 -0.11 -0.33 0.09 0.00 0.00 178.44 177.50 1f96 h GLU 30 N -0.29 0.06 0.21 1.13 5.08 -0.93 -1.60 114.58 118.23 1f96 h GLU 30 Ca -0.01 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 1f96 h GLU 30 Cb 0.25 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.52 1f96 h GLU 30 CO 0.00 0.17 -1.48 0.87 -1.00 0.00 0.00 179.01 177.57 1f96 h LYS 31 N 0.06 0.44 0.00 2.33 1.57 0.12 -3.46 116.57 117.63 1f96 h LYS 31 Ca 0.01 -0.75 0.00 0.00 -1.87 0.00 0.00 60.65 58.04 1f96 h LYS 31 Cb 0.22 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1f96 h LYS 31 CO 0.01 1.35 -0.01 0.66 -0.57 0.00 0.00 179.45 180.89 1f96 n TYR 32 N -3.64 -1.71 -3.14 -1.35 4.02 0.27 -5.06 117.16 106.56 1f96 n TYR 32 Ca -0.16 0.30 -0.14 0.00 -0.01 0.00 0.00 57.90 57.89 1f96 n TYR 32 Cb 1.08 0.54 0.07 0.00 -0.02 0.00 0.00 39.34 41.01 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 -3.18 -2.28 -1.37 7.72 5.15 -0.63 -4.94 115.26 115.74 1f96 n ASN 33 Ca 0.00 -0.50 0.04 0.00 -0.60 0.00 0.00 54.58 53.52 1f96 n ASN 33 Cb 0.01 -4.23 0.06 0.00 -0.53 0.00 0.00 39.78 35.08 1f96 n ASN 33 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1f96 n ILE 34 N -3.48 0.47 0.00 -1.44 5.41 -1.26 -5.04 119.36 114.02 1f96 n ILE 34 Ca -0.22 -1.50 0.00 0.00 1.00 0.00 0.00 62.75 62.03 1f96 n ILE 34 Cb 0.63 0.76 0.00 0.00 -0.71 0.00 0.00 39.64 40.32 1f96 n ILE 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f96 n GLU 35 N 0.16 0.00 0.20 0.38 1.02 -1.26 -3.65 120.64 117.48 1f96 n GLU 35 Ca 0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 1f96 n GLU 35 Cb 1.05 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.40 1f96 n GLU 35 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1f96 h LYS 36 N 0.00 -0.48 -0.96 3.49 3.64 -1.97 -2.58 116.57 117.72 1f96 h LYS 36 Ca 0.00 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.57 1f96 h LYS 36 Cb 0.00 0.11 -0.10 0.00 -0.41 0.00 0.00 32.23 31.83 1f96 h LYS 36 CO 0.00 -0.32 0.57 -0.44 -2.27 0.00 0.00 179.45 176.98 1f96 h ASP 37 N -0.50 0.76 -0.23 4.20 5.19 -1.98 -0.79 116.42 123.06 1f96 h ASP 37 Ca -0.03 0.08 0.05 0.00 -0.62 0.00 0.00 57.03 56.51 1f96 h ASP 37 Cb 0.42 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.82 1f96 h ASP 37 CO 0.02 0.33 -0.09 0.40 -3.12 0.00 0.00 179.24 176.79 1f96 h ILE 38 N 0.80 0.70 -0.02 0.35 2.04 -1.75 -1.58 117.51 118.06 1f96 h ILE 38 Ca 0.52 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.30 1f96 h ILE 38 Cb 0.68 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1f96 h ILE 38 CO -0.33 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.49 1f96 h ALA 39 N 1.17 1.43 0.47 1.87 0.00 -0.92 -2.42 119.26 120.86 1f96 h ALA 39 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1f96 h ALA 39 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1f96 h ALA 39 CO -0.27 0.43 -0.23 0.00 0.00 0.00 0.00 179.25 179.19 1f96 h ALA 40 N 1.65 -0.63 -0.19 0.00 0.00 -0.21 0.01 119.26 119.89 1f96 h ALA 40 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1f96 h ALA 40 Cb 0.60 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1f96 h ALA 40 CO 0.04 -0.77 -0.19 1.12 0.00 0.00 0.00 179.25 179.46 1f96 h HIS 41 N -0.80 0.55 -0.22 0.00 2.07 -1.47 -2.42 115.15 112.86 1f96 h HIS 41 Ca -0.06 -0.17 -0.01 0.00 -2.85 0.00 0.00 60.37 57.28 1f96 h HIS 41 Cb 0.56 -0.12 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 1f96 h HIS 41 CO -0.01 0.82 0.09 0.82 -3.07 0.00 0.00 177.93 176.58 1f96 h ILE 42 N 0.12 1.17 0.25 6.12 2.04 -1.51 -2.05 117.51 123.65 1f96 h ILE 42 Ca 0.03 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.38 1f96 h ILE 42 Cb 0.73 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1f96 h ILE 42 CO 0.05 0.16 -0.12 0.50 0.00 0.00 0.00 178.15 178.74 1f96 h LYS 43 N 0.21 -0.32 -0.61 2.37 3.11 -1.05 -2.40 116.57 117.88 1f96 h LYS 43 Ca 0.07 0.02 0.06 0.00 -2.81 0.00 0.00 60.65 58.00 1f96 h LYS 43 Cb 0.18 0.07 -0.04 0.00 -1.00 0.00 0.00 32.23 31.44 1f96 h LYS 43 CO -0.01 -0.14 0.40 1.57 -2.81 0.00 0.00 179.45 178.47 1f96 h LYS 44 N -0.43 0.57 0.18 1.90 5.09 -1.45 0.31 116.57 122.74 1f96 h LYS 44 Ca -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.66 1f96 h LYS 44 Cb 0.33 -0.13 0.00 0.00 0.10 0.00 0.00 32.23 32.53 1f96 h LYS 44 CO 0.06 0.38 -0.09 1.49 -2.09 0.00 0.00 179.45 179.20 1f96 h GLU 45 N 0.59 -0.23 -0.35 0.07 4.81 -1.15 -1.58 114.58 116.74 1f96 h GLU 45 Ca 0.26 0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 1f96 h GLU 45 Cb 0.29 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1f96 h GLU 45 CO -0.08 -0.01 0.02 0.74 -0.73 0.00 0.00 179.01 178.96 1f96 h PHE 46 N -0.43 0.66 -0.71 0.92 0.04 -0.96 0.20 116.94 116.66 1f96 h PHE 46 Ca -0.02 -0.11 0.13 0.00 2.80 0.00 0.00 57.97 60.76 1f96 h PHE 46 Cb 0.33 -0.18 -0.09 0.00 2.20 0.00 0.00 35.95 38.22 1f96 h PHE 46 CO -0.01 0.70 0.27 0.22 -0.60 0.00 0.00 178.31 178.89 1f96 h ASP 47 N 0.43 0.25 0.13 2.17 3.58 -0.38 0.56 116.42 123.17 1f96 h ASP 47 Ca 0.10 0.10 -0.19 0.00 0.42 0.00 0.00 57.03 57.46 1f96 h ASP 47 Cb 0.42 0.08 0.02 0.00 1.72 0.00 0.00 39.33 41.57 1f96 h ASP 47 CO 0.01 0.11 -0.83 0.50 -2.88 0.00 0.00 179.24 176.16 1f96 h LYS 48 N 0.43 0.33 0.20 0.28 1.63 -1.16 0.93 116.57 119.20 1f96 h LYS 48 Ca 0.38 -0.53 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 1f96 h LYS 48 Cb 0.54 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1f96 h LYS 48 CO -0.37 1.24 -0.09 0.87 -3.45 0.00 0.00 179.45 177.64 1f96 h LYS 49 N -0.30 -0.25 0.00 1.90 1.79 -0.26 -3.34 116.57 116.10 1f96 h LYS 49 Ca -0.14 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1f96 h LYS 49 Cb 1.64 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.34 1f96 h LYS 49 CO 0.16 -0.17 0.00 0.66 -1.08 0.00 0.00 179.45 179.02 1f96 n TYR 50 N -3.54 0.23 0.00 -1.35 4.02 0.19 -5.02 117.16 111.69 1f96 n TYR 50 Ca -0.03 0.07 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1f96 n TYR 50 Cb 0.10 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 1f96 n TYR 50 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1f96 n ASN 51 N -1.69 -0.17 -4.62 7.72 3.02 -0.63 -4.98 115.26 113.92 1f96 n ASN 51 Ca 0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 1f96 n ASN 51 Cb 0.36 0.34 0.20 0.00 -0.61 0.00 0.00 39.78 40.07 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 -4.66 0.11 -0.16 3.52 0.04 0.25 -4.45 135.00 129.65 1f96 s PRO 52 Ca 0.00 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 61.76 1f96 s PRO 52 Cb 0.00 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.85 1f96 s PRO 52 CO 0.00 -3.00 -0.14 -0.08 0.04 0.00 0.00 177.00 173.82 1f96 s THR 53 N -2.77 2.77 -0.16 1.26 -1.32 -0.79 -4.70 115.64 109.92 1f96 s THR 53 Ca 0.66 -0.73 -0.12 0.00 -1.21 0.00 0.00 61.69 60.29 1f96 s THR 53 Cb -0.21 -2.18 -0.05 0.00 -1.51 0.00 0.00 72.50 68.56 1f96 s THR 53 CO 0.60 0.51 0.22 0.26 -2.21 0.00 0.00 174.62 174.00 1f96 s TRP 54 N 0.83 3.47 -0.08 9.09 0.52 -1.26 0.27 118.94 131.77 1f96 s TRP 54 Ca -0.05 0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.59 1f96 s TRP 54 Cb -0.15 -2.23 -0.03 0.00 -1.15 0.00 0.00 33.47 29.91 1f96 s TRP 54 CO -0.00 0.32 -0.08 -1.01 0.02 0.00 0.00 176.95 176.20 1f96 s HIS 55 N 0.22 2.91 0.02 -1.98 3.76 0.62 -4.93 115.29 115.90 1f96 s HIS 55 Ca 0.14 -0.11 -0.02 0.00 -0.15 0.00 0.00 55.06 54.91 1f96 s HIS 55 Cb -0.12 -1.75 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 1f96 s HIS 55 CO 0.02 0.21 0.02 0.00 -0.85 0.00 0.00 174.74 174.13 1f96 s ILE 57 N -1.48 0.05 -0.19 0.00 1.01 -0.64 -4.98 121.20 114.97 1f96 s ILE 57 Ca -0.15 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 1f96 s ILE 57 Cb -0.09 -0.57 0.05 0.00 0.01 0.00 0.00 42.46 41.87 1f96 s ILE 57 CO -0.00 -0.21 0.50 -0.69 0.00 0.00 0.00 174.94 174.54 1f96 s VAL 58 N -0.98 -0.00 0.00 2.92 1.01 -1.26 -0.47 120.40 121.62 1f96 s VAL 58 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1f96 s VAL 58 Cb -0.05 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1f96 s VAL 58 CO 0.03 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1f96 n GLY 59 N 3.13 -0.95 1.44 4.51 0.00 -0.85 -4.65 105.19 107.81 1f96 n GLY 59 Ca -0.15 0.15 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.15 0.00 1.61 -4.01 -1.26 -0.76 116.66 112.39 1f96 n ARG 60 Ca 0.00 -0.16 0.00 0.00 -1.04 0.00 0.00 57.85 56.65 1f96 n ARG 60 Cb 0.00 0.15 0.00 0.00 -3.04 0.00 0.00 32.46 29.57 1f96 n ARG 60 CO 0.00 0.00 0.00 -1.71 -3.04 0.00 0.00 177.63 172.88 1f96 n ASN 61 N -0.17 0.00 -3.64 2.89 4.05 -1.26 -5.01 115.26 112.11 1f96 n ASN 61 Ca -0.03 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.95 1f96 n ASN 61 Cb 0.50 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.45 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 -0.56 0.32 1.20 -0.71 -1.26 -5.15 117.98 111.82 1f96 s PHE 62 Ca 0.00 1.21 -0.28 0.00 -1.04 0.00 0.00 56.93 56.82 1f96 s PHE 62 Cb 0.00 0.37 -0.09 0.00 -1.21 0.00 0.00 43.02 42.09 1f96 s PHE 62 CO 0.00 -0.28 1.12 0.20 -1.34 0.00 0.00 175.22 174.92 1f96 s GLY 63 N 0.92 2.98 0.01 1.99 0.00 -1.26 -5.04 107.32 106.92 1f96 s GLY 63 Ca -0.04 0.91 0.02 0.00 0.00 0.00 0.00 44.72 45.60 1f96 s GLY 63 CO -0.12 1.47 -0.06 -0.56 0.00 0.00 0.00 173.10 173.84 1f96 s SER 64 N -1.00 0.67 -0.10 1.64 0.01 -1.26 -5.14 113.70 108.52 1f96 s SER 64 Ca 0.49 -0.26 -0.07 0.00 1.31 0.00 0.00 55.95 57.42 1f96 s SER 64 Cb -0.31 -0.03 0.04 0.00 0.21 0.00 0.00 66.02 65.93 1f96 s SER 64 CO 0.39 -0.04 0.25 -0.47 0.41 0.00 0.00 173.24 173.79 1f96 s TYR 65 N -0.60 -0.32 0.22 2.43 6.14 -1.26 -5.17 117.35 118.80 1f96 s TYR 65 Ca -0.03 0.76 -0.17 0.00 0.64 0.00 0.00 57.07 58.27 1f96 s TYR 65 Cb -0.05 0.08 0.02 0.00 0.42 0.00 0.00 41.96 42.43 1f96 s TYR 65 CO 0.00 -0.19 0.55 0.08 0.64 0.00 0.00 175.55 176.62 1f96 s VAL 66 N 0.79 0.02 -0.01 3.14 1.01 -1.26 -5.17 120.40 118.92 1f96 s VAL 66 Ca -0.05 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1f96 s VAL 66 Cb -0.07 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1f96 s VAL 66 CO -0.05 -0.07 -0.13 -0.89 0.00 0.00 0.00 175.10 173.96 1f96 s THR 67 N -3.91 1.03 0.04 3.92 2.01 -1.26 -5.15 115.64 112.32 1f96 s THR 67 Ca 0.12 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 1f96 s THR 67 Cb -0.02 -0.87 0.04 0.00 0.01 0.00 0.00 72.50 71.66 1f96 s THR 67 CO 0.01 0.26 0.43 -1.38 -0.69 0.00 0.00 174.62 173.25 1f96 s HIS 68 N -0.36 -0.29 0.00 4.92 -3.43 -1.26 -4.96 115.29 109.91 1f96 s HIS 68 Ca 0.05 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.60 1f96 s HIS 68 Cb -0.05 0.23 0.00 0.00 -1.43 0.00 0.00 32.58 31.33 1f96 s HIS 68 CO -0.00 -0.57 0.00 -1.91 -2.00 0.00 0.00 174.74 170.26 1f96 n GLU 69 N 0.56 0.00 -3.47 -0.38 4.07 -1.26 -5.05 120.64 115.12 1f96 n GLU 69 Ca -0.19 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.81 1f96 n GLU 69 Cb 0.59 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.95 1f96 n GLU 69 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1f96 s THR 70 N 0.00 0.00 -0.92 6.31 -4.23 -1.26 -4.98 115.64 110.56 1f96 s THR 70 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1f96 s THR 70 Cb 0.00 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.85 1f96 s THR 70 CO 0.00 0.00 0.78 0.29 -0.54 0.00 0.00 174.62 175.15 1f96 n LYS 71 N -0.23 -5.28 -2.66 3.99 4.76 -1.17 -4.91 118.16 112.66 1f96 n LYS 71 Ca -0.13 0.56 -0.04 0.00 -2.87 0.00 0.00 58.31 55.83 1f96 n LYS 71 Cb 0.63 -4.78 0.01 0.00 -1.84 0.00 0.00 35.03 29.05 1f96 n LYS 71 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1f96 n HIS 72 N -4.19 -0.56 -4.53 2.13 1.44 0.27 -4.43 115.22 105.34 1f96 n HIS 72 Ca 0.00 -0.82 -0.21 0.00 -2.01 0.00 0.00 57.72 54.68 1f96 n HIS 72 Cb 0.54 1.21 -0.15 0.00 0.12 0.00 0.00 29.99 31.72 1f96 n HIS 72 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1f96 s PHE 73 N 0.05 1.11 -0.28 -1.40 2.19 -1.04 -2.48 117.98 116.13 1f96 s PHE 73 Ca 0.07 -0.22 -0.17 0.00 0.33 0.00 0.00 56.93 56.94 1f96 s PHE 73 Cb 0.12 -0.71 0.10 0.00 -1.31 0.00 0.00 43.02 41.22 1f96 s PHE 73 CO -0.05 -0.01 0.79 -1.50 1.83 0.00 0.00 175.22 176.28 1f96 s ILE 74 N -0.34 0.00 -0.04 3.12 2.07 -0.63 0.18 121.20 125.56 1f96 s ILE 74 Ca 0.04 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.31 1f96 s ILE 74 Cb -0.05 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1f96 s ILE 74 CO -0.00 0.00 -0.13 -0.47 -1.91 0.00 0.00 174.94 172.43 1f96 s TYR 75 N 1.39 1.36 -0.28 3.50 5.04 0.74 -1.88 117.35 127.22 1f96 s TYR 75 Ca -0.08 -0.41 -0.24 0.00 -2.44 0.00 0.00 57.07 53.90 1f96 s TYR 75 Cb -0.05 -0.96 0.11 0.00 0.35 0.00 0.00 41.96 41.41 1f96 s TYR 75 CO -0.16 -0.18 0.91 -0.59 -1.34 0.00 0.00 175.55 174.19 1f96 s PHE 76 N 0.29 -0.61 0.44 4.97 -0.71 -0.22 -1.88 117.98 120.25 1f96 s PHE 76 Ca -0.07 1.45 -0.10 0.00 -1.04 0.00 0.00 56.93 57.18 1f96 s PHE 76 Cb -0.12 0.35 -0.06 0.00 -1.21 0.00 0.00 43.02 41.98 1f96 s PHE 76 CO 0.02 -0.30 0.80 0.71 -1.34 0.00 0.00 175.22 175.11 1f96 s TYR 77 N 0.44 3.50 -0.21 3.49 1.51 0.48 -1.27 117.35 125.29 1f96 s TYR 77 Ca 0.01 1.03 -0.14 0.00 -1.01 0.00 0.00 57.07 56.96 1f96 s TYR 77 Cb -0.05 -2.45 0.06 0.00 -0.11 0.00 0.00 41.96 39.42 1f96 s TYR 77 CO -0.05 -0.18 0.52 -1.17 -1.11 0.00 0.00 175.55 173.55 1f96 s LEU 78 N -4.10 -0.30 0.00 -1.29 2.96 -0.72 -0.48 118.68 114.75 1f96 s LEU 78 Ca 0.51 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 55.53 1f96 s LEU 78 Cb -0.10 1.76 0.00 0.00 0.50 0.00 0.00 46.19 48.35 1f96 s LEU 78 CO 0.35 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.79 1f96 n GLY 79 N 3.86 0.45 0.00 7.98 0.00 -1.26 -1.68 105.19 114.54 1f96 n GLY 79 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1f96 n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f96 n GLN 80 N 0.00 0.00 -3.66 1.61 10.64 -1.26 -5.15 117.38 119.56 1f96 n GLN 80 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 1f96 n GLN 80 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 1f96 n GLN 80 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1f96 s VAL 81 N 0.00 -0.01 0.30 -0.39 -7.23 -0.68 -4.82 120.40 107.58 1f96 s VAL 81 Ca 0.00 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.91 1f96 s VAL 81 Cb 0.00 -0.86 -0.10 0.00 0.56 0.00 0.00 36.38 35.98 1f96 s VAL 81 CO 0.00 0.01 1.23 0.00 -0.31 0.00 0.00 175.10 176.03 1f96 s ALA 82 N 1.33 3.46 -0.07 1.32 0.00 0.06 -1.76 121.76 126.11 1f96 s ALA 82 Ca -0.08 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.03 1f96 s ALA 82 Cb -0.06 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1f96 s ALA 82 CO -0.14 -0.45 -0.17 0.42 0.00 0.00 0.00 175.76 175.42 1f96 s ILE 83 N -1.08 1.48 -0.01 0.00 1.01 -0.39 -2.02 121.20 120.18 1f96 s ILE 83 Ca 0.48 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.48 1f96 s ILE 83 Cb -0.37 -1.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1f96 s ILE 83 CO 0.48 0.43 -0.18 -0.22 0.00 0.00 0.00 174.94 175.44 1f96 s LEU 84 N 0.37 2.04 -0.21 2.97 2.96 0.38 -1.06 118.68 126.12 1f96 s LEU 84 Ca -0.12 -0.34 -0.24 0.00 -0.22 0.00 0.00 54.13 53.21 1f96 s LEU 84 Cb -0.15 -0.93 0.06 0.00 0.50 0.00 0.00 46.19 45.68 1f96 s LEU 84 CO 0.05 0.22 0.66 -0.22 -1.32 0.00 0.00 176.35 175.73 1f96 s LEU 85 N -0.47 -0.54 0.00 -0.68 2.96 -0.79 -1.61 118.68 117.55 1f96 s LEU 85 Ca 0.07 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 1f96 s LEU 85 Cb -0.07 2.32 0.00 0.00 0.50 0.00 0.00 46.19 48.93 1f96 s LEU 85 CO -0.01 -0.30 0.00 2.22 -1.32 0.00 0.00 176.35 176.94 1f96 n PHE 86 N 2.39 0.00 -2.77 5.38 1.16 -0.69 -1.61 117.46 121.32 1f96 n PHE 86 Ca -0.15 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.23 1f96 n PHE 86 Cb 0.56 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.46 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 -1.00 2.62 -0.12 3.97 -2.85 -1.04 -0.28 119.74 121.05 1f96 s LYS 87 Ca 0.00 -0.96 -0.10 0.00 -1.00 0.00 0.00 55.97 53.91 1f96 s LYS 87 Cb 0.00 -2.58 0.03 0.00 -2.06 0.00 0.00 37.83 33.22 1f96 s LYS 87 CO 0.00 -0.58 0.31 0.45 0.10 0.00 0.00 175.35 175.63 1f96 s SER 88 N -4.41 -0.32 0.00 0.03 0.15 0.14 -4.22 113.70 105.07 1f96 s SER 88 Ca 0.57 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.86 1f96 s SER 88 Cb -0.10 0.63 0.08 0.00 -1.71 0.00 0.00 66.02 64.91 1f96 s SER 88 CO 0.37 -0.11 0.57 0.61 1.20 0.00 0.00 173.24 175.88