#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 s SER 2 N 0.00 -0.39 -0.22 4.04 0.15 -1.26 -5.03 113.70 110.99 1f55 s SER 2 Ca 0.00 1.00 -0.05 0.00 0.70 0.00 0.00 55.95 57.60 1f55 s SER 2 Cb 0.00 1.51 0.02 0.00 -1.71 0.00 0.00 66.02 65.84 1f55 s SER 2 CO 0.00 -0.24 0.10 0.59 1.20 0.00 0.00 173.24 174.89 1f55 n ASN 3 N 5.40 -4.82 0.00 5.45 4.13 -1.26 -5.00 115.26 119.16 1f55 n ASN 3 Ca -0.08 1.31 0.00 0.00 1.68 0.00 0.00 54.58 57.49 1f55 n ASN 3 Cb 0.49 -4.87 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 1f55 n ASN 3 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1f55 n LEU 4 N 1.26 0.00 0.00 3.41 7.99 -1.26 -4.48 117.00 123.92 1f55 n LEU 4 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.83 1f55 n LEU 4 Cb 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1f55 n LEU 4 CO 0.38 0.00 0.00 0.35 -1.51 0.00 0.00 177.39 176.61 1f55 n THR 5 N 0.00 0.00 -0.43 -5.08 -2.24 -1.26 -0.96 114.28 104.31 1f55 n THR 5 Ca 0.00 0.00 0.36 0.00 -2.27 0.00 0.00 64.05 62.14 1f55 n THR 5 Cb 0.00 0.00 0.64 0.00 -2.10 0.00 0.00 70.33 68.87 1f55 n THR 5 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1f55 h GLU 6 N 0.00 0.07 -0.05 -0.78 4.11 -1.97 0.78 114.58 116.73 1f55 h GLU 6 Ca 0.00 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1f55 h GLU 6 Cb 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1f55 h GLU 6 CO 0.00 0.05 0.03 0.93 0.07 0.00 0.00 179.01 180.09 1f55 h GLU 7 N 0.07 0.07 -0.18 1.06 3.07 -1.30 0.30 114.58 117.67 1f55 h GLU 7 Ca 0.83 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.61 1f55 h GLU 7 Cb 2.53 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 30.42 1f55 h GLU 7 CO -0.49 0.12 -0.19 -0.56 -1.40 0.00 0.00 179.01 176.49 1f55 h GLN 8 N 0.01 0.45 0.37 2.33 3.07 0.77 -2.72 115.11 119.40 1f55 h GLN 8 Ca 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 58.65 58.50 1f55 h GLN 8 Cb 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.63 1f55 h GLN 8 CO -0.00 0.82 -0.34 0.82 0.09 0.00 0.00 178.83 180.22 1f55 h ILE 9 N 0.11 0.00 -0.89 1.86 2.04 -0.41 0.26 117.51 120.47 1f55 h ILE 9 Ca 0.03 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.12 1f55 h ILE 9 Cb 0.73 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.65 1f55 h ILE 9 CO 0.05 0.00 0.04 0.00 0.00 0.00 0.00 178.15 178.23 1f55 h ALA 10 N -1.23 1.03 -0.23 1.87 0.00 -0.47 0.57 119.26 120.80 1f55 h ALA 10 Ca -0.05 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1f55 h ALA 10 Cb 0.59 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1f55 h ALA 10 CO -0.02 -0.50 0.12 1.49 0.00 0.00 0.00 179.25 180.34 1f55 h GLU 11 N 0.07 0.33 0.02 0.00 4.22 -1.07 -2.81 114.58 115.33 1f55 h GLU 11 Ca 0.52 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.92 1f55 h GLU 11 Cb 1.02 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1f55 h GLU 11 CO -0.80 0.32 -0.02 0.74 -2.18 0.00 0.00 179.01 177.07 1f55 h PHE 12 N 0.25 -0.05 -0.84 0.92 0.04 0.34 -2.63 116.94 114.98 1f55 h PHE 12 Ca 0.08 -0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.97 1f55 h PHE 12 Cb 0.10 0.02 -0.14 0.00 2.20 0.00 0.00 35.95 38.13 1f55 h PHE 12 CO -0.03 -0.03 -0.42 0.87 -0.60 0.00 0.00 178.31 178.10 1f55 h LYS 13 N -0.05 -0.08 -0.85 1.51 1.57 -0.07 1.32 116.57 119.93 1f55 h LYS 13 Ca 0.00 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.93 1f55 h LYS 13 Cb 0.05 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 1f55 h LYS 13 CO -0.00 -0.05 0.44 0.93 -0.57 0.00 0.00 179.45 180.20 1f55 h GLU 14 N -0.08 0.62 -0.09 3.15 5.08 -1.25 -1.22 114.58 120.80 1f55 h GLU 14 Ca 0.27 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1f55 h GLU 14 Cb 0.56 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1f55 h GLU 14 CO -0.86 0.41 -0.02 0.00 -1.00 0.00 0.00 179.01 177.54 1f55 h ALA 15 N 1.55 0.12 -0.21 3.43 0.00 0.16 -2.77 119.26 121.54 1f55 h ALA 15 Ca 0.45 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1f55 h ALA 15 Cb 0.62 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1f55 h ALA 15 CO -0.35 -0.16 -0.28 0.35 0.00 0.00 0.00 179.25 178.81 1f55 h PHE 16 N -0.15 -0.85 -0.81 0.00 3.57 0.18 0.74 116.94 119.62 1f55 h PHE 16 Ca 0.02 0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.74 1f55 h PHE 16 Cb 0.40 0.40 -0.15 0.00 2.79 0.00 0.00 35.95 39.40 1f55 h PHE 16 CO 0.05 -0.24 -0.09 0.00 -2.23 0.00 0.00 178.31 175.79 1f55 h ALA 17 N -0.67 0.72 -0.87 2.41 0.00 -1.44 0.69 119.26 120.09 1f55 h ALA 17 Ca 0.04 0.29 0.22 0.00 0.00 0.00 0.00 54.91 55.46 1f55 h ALA 17 Cb 0.30 0.53 -0.13 0.00 0.00 0.00 0.00 17.79 18.49 1f55 h ALA 17 CO -0.30 -0.43 0.31 1.25 0.00 0.00 0.00 179.25 180.08 1f55 h LEU 18 N 0.04 0.16 0.20 0.00 6.46 -0.59 -0.11 115.31 121.48 1f55 h LEU 18 Ca 0.43 0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 58.35 1f55 h LEU 18 Cb 0.73 0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1f55 h LEU 18 CO -0.78 -0.08 -0.10 -0.26 -0.62 0.00 0.00 178.44 176.61 1f55 h PHE 19 N 0.30 -0.25 -3.34 1.25 -1.00 0.12 -3.44 116.94 110.58 1f55 h PHE 19 Ca 0.55 -0.01 -0.43 0.00 2.81 0.00 0.00 57.97 60.90 1f55 h PHE 19 Cb 1.07 0.08 0.20 0.00 3.61 0.00 0.00 35.95 40.91 1f55 h PHE 19 CO -0.20 0.01 0.03 0.34 -1.61 0.00 0.00 178.31 176.88 1f55 s ASP 20 N -5.15 0.83 -0.09 2.17 2.15 -0.05 -3.43 116.67 113.10 1f55 s ASP 20 Ca -0.15 1.21 0.15 0.00 0.43 0.00 0.00 52.55 54.19 1f55 s ASP 20 Cb 0.03 -1.85 0.32 0.00 -0.30 0.00 0.00 42.92 41.12 1f55 s ASP 20 CO 0.61 -4.25 1.15 0.29 -0.17 0.00 0.00 175.17 172.80 1f55 n LYS 21 N -4.92 0.72 -0.45 4.34 5.02 -1.26 -4.78 118.16 116.82 1f55 n LYS 21 Ca 0.06 -2.32 -0.00 0.00 -2.02 0.00 0.00 58.31 54.03 1f55 n LYS 21 Cb 0.57 -0.86 -0.00 0.00 -0.02 0.00 0.00 35.03 34.71 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1f55 n ASP 22 N -0.44 -0.05 -2.08 4.39 5.68 -1.26 -4.98 116.55 117.82 1f55 n ASP 22 Ca 0.11 -0.90 -0.01 0.00 -0.50 0.00 0.00 54.79 53.48 1f55 n ASP 22 Cb 0.83 0.01 -0.00 0.00 -1.14 0.00 0.00 41.12 40.82 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1f55 n ASN 23 N 0.00 -1.07 0.00 -1.12 3.02 -1.26 -4.68 115.26 110.15 1f55 n ASN 23 Ca -0.01 0.34 0.10 0.00 -0.03 0.00 0.00 54.58 54.98 1f55 n ASN 23 Cb 0.44 -1.14 0.57 0.00 -0.61 0.00 0.00 39.78 39.04 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1f55 n ASN 24 N -0.86 0.00 0.00 6.41 5.03 -1.26 -4.79 115.26 119.79 1f55 n ASN 24 Ca -0.02 -0.81 0.00 0.00 0.87 0.00 0.00 54.58 54.62 1f55 n ASN 24 Cb 0.38 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f55 n GLY 25 N 0.38 0.63 3.00 7.41 0.00 -1.26 -4.97 105.19 110.38 1f55 n GLY 25 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1f55 n GLY 25 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1f55 s SER 26 N -2.51 0.70 -0.15 1.61 0.15 -1.26 -3.00 113.70 109.24 1f55 s SER 26 Ca 0.00 -0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.40 1f55 s SER 26 Cb 0.00 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1f55 s SER 26 CO 0.00 -0.03 -0.18 -0.63 1.20 0.00 0.00 173.24 173.60 1f55 s ILE 27 N -0.58 2.41 0.00 6.45 1.01 0.20 -4.78 121.20 125.91 1f55 s ILE 27 Ca -0.02 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1f55 s ILE 27 Cb -0.05 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1f55 s ILE 27 CO 0.00 0.53 0.00 -0.24 0.00 0.00 0.00 174.94 175.23 1f55 n SER 28 N 4.08 0.00 0.06 3.58 2.88 -1.26 -1.52 113.62 121.44 1f55 n SER 28 Ca -0.19 -0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 56.82 1f55 n SER 28 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 1f55 n SER 28 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1f55 h SER 29 N 0.00 -0.14 0.51 -3.46 0.02 -1.84 -2.74 113.55 105.90 1f55 h SER 29 Ca 0.00 -0.33 -0.12 0.00 -0.84 0.00 0.00 61.79 60.50 1f55 h SER 29 Cb 0.00 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1f55 h SER 29 CO 0.00 0.28 -0.55 0.28 -1.14 0.00 0.00 176.83 175.70 1f55 h SER 30 N -0.60 0.05 0.57 3.07 0.02 -1.94 -2.65 113.55 112.08 1f55 h SER 30 Ca -0.02 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1f55 h SER 30 Cb 0.47 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.00 1f55 h SER 30 CO 0.03 0.59 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.71 1f55 h GLU 31 N 0.03 -0.74 -0.53 3.45 5.08 -1.84 -1.19 114.58 118.85 1f55 h GLU 31 Ca -0.00 0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1f55 h GLU 31 Cb 0.99 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.35 1f55 h GLU 31 CO 0.07 -0.49 0.24 1.25 -1.00 0.00 0.00 179.01 179.08 1f55 h LEU 32 N -0.82 0.30 -2.39 1.33 6.46 -1.51 0.70 115.31 119.39 1f55 h LEU 32 Ca -0.08 0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1f55 h LEU 32 Cb 0.59 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1f55 h LEU 32 CO 0.13 0.20 0.14 0.00 -0.62 0.00 0.00 178.44 178.30 1f55 h ALA 33 N 1.32 1.55 -0.98 1.25 0.00 -1.44 -2.33 119.26 118.62 1f55 h ALA 33 Ca 0.25 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.45 1f55 h ALA 33 Cb 0.21 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.86 1f55 h ALA 33 CO -0.21 -0.19 0.51 1.15 0.00 0.00 0.00 179.25 180.52 1f55 h THR 34 N 0.00 0.34 -1.02 0.00 2.02 0.45 0.49 112.91 115.19 1f55 h THR 34 Ca 0.04 -0.12 0.30 0.00 0.77 0.00 0.00 66.41 67.40 1f55 h THR 34 Cb 0.33 -0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1f55 h THR 34 CO -0.00 0.06 1.05 -0.37 0.37 0.00 0.00 175.52 176.63 1f55 h VAL 35 N 0.35 0.11 0.00 3.16 -1.51 -1.58 2.05 116.25 118.84 1f55 h VAL 35 Ca 0.69 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 66.15 1f55 h VAL 35 Cb 1.49 0.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.83 1f55 h VAL 35 CO -0.59 0.00 -0.04 -0.03 -1.23 0.00 0.00 177.57 175.68 1f55 h MET 36 N 0.00 0.00 -0.23 5.19 4.05 -0.25 -2.96 114.93 120.73 1f55 h MET 36 Ca 0.48 0.00 -0.14 0.00 -0.28 0.00 0.00 59.70 59.76 1f55 h MET 36 Cb 2.57 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 33.36 1f55 h MET 36 CO -0.01 0.04 -0.45 -0.09 0.23 0.00 0.00 176.91 176.63 1f55 h ARG 37 N 0.00 0.59 -1.60 0.39 2.43 0.32 0.27 114.38 116.78 1f55 h ARG 37 Ca -0.00 -0.32 0.46 0.00 -0.81 0.00 0.00 59.98 59.31 1f55 h ARG 37 Cb 0.58 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 1f55 h ARG 37 CO 0.00 0.92 1.21 1.03 -1.51 0.00 0.00 179.97 181.63 1f55 h SER 38 N 0.47 0.00 0.00 -3.80 0.87 -1.60 -3.34 113.55 106.15 1f55 h SER 38 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1f55 h SER 38 Cb 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 1f55 h SER 38 CO 0.09 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.57 1f55 n LEU 39 N -3.92 0.11 -3.70 2.23 4.32 -1.13 -5.06 117.00 109.85 1f55 n LEU 39 Ca 0.36 0.30 -0.29 0.00 -0.02 0.00 0.00 56.01 56.36 1f55 n LEU 39 Cb 1.70 0.16 -0.16 0.00 -1.62 0.00 0.00 43.42 43.51 1f55 n LEU 39 CO 0.41 -0.71 -0.35 -0.83 -1.22 0.00 0.00 177.39 174.69 1f55 s GLY 40 N -4.46 0.79 -1.00 -0.72 0.00 0.84 -5.07 107.32 97.70 1f55 s GLY 40 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 44.72 43.41 1f55 s GLY 40 CO 0.00 1.59 1.57 -2.27 0.00 0.00 0.00 173.10 173.99 1f55 s LEU 41 N 1.82 3.43 -0.38 0.66 2.96 -0.46 -4.25 118.68 122.45 1f55 s LEU 41 Ca 0.04 -1.29 0.11 0.00 -0.22 0.00 0.00 54.13 52.77 1f55 s LEU 41 Cb -0.17 -2.57 0.40 0.00 0.50 0.00 0.00 46.19 44.35 1f55 s LEU 41 CO -0.18 -1.80 1.35 -0.24 -1.32 0.00 0.00 176.35 174.16 1f55 n SER 42 N 10.09 -1.53 0.00 3.68 2.88 -1.26 -4.95 113.62 122.54 1f55 n SER 42 Ca 0.35 -2.44 -0.16 0.00 -1.33 0.00 0.00 58.87 55.30 1f55 n SER 42 Cb 0.50 0.83 -0.05 0.00 -0.75 0.00 0.00 64.21 64.74 1f55 n SER 42 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1f55 h PRO 43 N 1.93 0.68 -2.07 -1.46 0.13 -1.90 -3.50 132.00 125.83 1f55 h PRO 43 Ca -0.29 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1f55 h PRO 43 Cb 1.29 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1f55 h PRO 43 CO -0.04 1.19 -0.52 0.43 -0.23 0.00 0.00 178.00 178.82 1f55 n SER 44 N -3.90 -4.92 -0.25 1.44 7.64 -1.26 -2.55 113.62 109.82 1f55 n SER 44 Ca -0.07 0.89 0.12 0.00 1.01 0.00 0.00 58.87 60.82 1f55 n SER 44 Cb 0.75 -2.31 0.23 0.00 -1.01 0.00 0.00 64.21 61.87 1f55 n SER 44 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1f55 n GLU 45 N -1.60 -0.06 -0.18 1.43 0.28 -1.26 0.12 120.64 119.37 1f55 n GLU 45 Ca 0.00 1.09 -0.03 0.00 -0.16 0.00 0.00 57.16 58.06 1f55 n GLU 45 Cb 0.15 -1.75 0.04 0.00 1.43 0.00 0.00 31.44 31.30 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1f55 h ALA 46 N 1.47 0.22 0.16 -1.84 0.00 -1.98 0.91 119.26 118.19 1f55 h ALA 46 Ca 0.46 0.20 -0.29 0.00 0.00 0.00 0.00 54.91 55.28 1f55 h ALA 46 Cb 0.98 0.56 0.01 0.00 0.00 0.00 0.00 17.79 19.33 1f55 h ALA 46 CO -0.68 -0.52 -1.29 0.93 0.00 0.00 0.00 179.25 177.68 1f55 h GLU 47 N -0.08 0.34 0.37 0.00 4.39 0.12 -2.17 114.58 117.55 1f55 h GLU 47 Ca 0.26 -0.57 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 1f55 h GLU 47 Cb 0.48 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1f55 h GLU 47 CO -0.61 1.27 -0.18 0.28 -1.16 0.00 0.00 179.01 178.61 1f55 h VAL 48 N 0.10 0.00 -1.01 3.13 2.07 0.60 0.60 116.25 121.74 1f55 h VAL 48 Ca -0.16 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1f55 h VAL 48 Cb 2.01 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.71 1f55 h VAL 48 CO 0.22 0.00 0.65 -1.13 0.02 0.00 0.00 177.57 177.33 1f55 h ASN 49 N -0.56 1.00 -0.20 0.57 -1.24 0.65 -1.36 115.58 114.44 1f55 h ASN 49 Ca -0.05 0.02 -0.13 0.00 0.71 0.00 0.00 56.30 56.86 1f55 h ASN 49 Cb 0.38 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1f55 h ASN 49 CO 0.08 0.60 -0.31 -0.78 -1.29 0.00 0.00 177.43 175.74 1f55 h ASP 50 N 1.12 0.73 -0.06 1.15 3.58 -1.34 -1.10 116.42 120.49 1f55 h ASP 50 Ca 0.46 -0.29 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1f55 h ASP 50 Cb 0.28 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1f55 h ASP 50 CO -0.21 0.99 0.03 -0.07 -2.88 0.00 0.00 179.24 177.10 1f55 h LEU 51 N 0.60 0.07 -0.19 2.28 3.38 0.13 0.39 115.31 121.97 1f55 h LEU 51 Ca 0.07 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1f55 h LEU 51 Cb 0.82 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1f55 h LEU 51 CO 0.07 0.13 -0.05 -0.03 0.09 0.00 0.00 178.44 178.65 1f55 h MET 52 N 0.00 0.38 -0.30 1.13 4.05 -1.37 -2.97 114.93 115.85 1f55 h MET 52 Ca 0.02 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.26 1f55 h MET 52 Cb 0.08 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 1f55 h MET 52 CO -0.00 0.64 0.03 -0.91 0.23 0.00 0.00 176.91 176.89 1f55 h ASN 53 N 0.09 0.41 -1.13 1.39 4.21 -1.11 0.24 115.58 119.69 1f55 h ASN 53 Ca 0.05 -0.06 0.31 0.00 1.21 0.00 0.00 56.30 57.81 1f55 h ASN 53 Cb 0.50 -0.11 -0.07 0.00 -1.12 0.00 0.00 38.32 37.52 1f55 h ASN 53 CO 0.02 0.46 0.77 -0.33 -1.29 0.00 0.00 177.43 177.06 1f55 h GLU 54 N 0.44 0.18 0.00 0.81 5.08 -0.04 -0.97 114.58 120.08 1f55 h GLU 54 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1f55 h GLU 54 Cb 0.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1f55 h GLU 54 CO 0.00 0.12 0.00 0.44 -1.00 0.00 0.00 179.01 178.57 1f55 n ILE 55 N -4.42 0.71 -2.29 3.13 -5.35 -0.88 -4.91 119.36 105.34 1f55 n ILE 55 Ca 0.26 -0.72 -0.34 0.00 -0.27 0.00 0.00 62.75 61.68 1f55 n ILE 55 Cb 1.09 0.66 -0.04 0.00 -1.74 0.00 0.00 39.64 39.61 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1f55 s ASP 56 N -0.71 5.81 0.28 7.28 2.15 0.78 -4.64 116.67 127.62 1f55 s ASP 56 Ca 0.00 -1.56 0.01 0.00 0.43 0.00 0.00 52.55 51.43 1f55 s ASP 56 Cb 0.00 -2.58 0.42 0.00 -0.30 0.00 0.00 42.92 40.46 1f55 s ASP 56 CO 0.00 -2.20 1.76 -0.37 -0.17 0.00 0.00 175.17 174.19 1f55 h VAL 57 N 6.43 1.24 0.20 1.11 -1.51 -1.86 -3.11 116.25 118.76 1f55 h VAL 57 Ca 0.24 -1.08 -0.33 0.00 -1.23 0.00 0.00 66.70 64.31 1f55 h VAL 57 Cb 0.95 1.10 0.02 0.00 -2.13 0.00 0.00 31.29 31.23 1f55 h VAL 57 CO 1.32 0.36 -1.53 0.44 -1.23 0.00 0.00 177.57 176.93 1f55 h ASP 58 N 0.56 0.67 0.00 4.19 3.32 -1.86 -3.48 116.42 119.81 1f55 h ASP 58 Ca 0.10 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1f55 h ASP 58 Cb 0.53 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1f55 h ASP 58 CO 0.03 1.64 0.00 0.61 -1.72 0.00 0.00 179.24 179.81 1f55 n GLY 59 N 1.72 1.22 2.15 2.75 0.00 -1.18 -4.98 105.19 106.88 1f55 n GLY 59 Ca -0.18 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 1f55 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f55 n ASN 60 N 0.65 5.30 -0.60 1.61 6.94 -1.26 -4.83 115.26 123.08 1f55 n ASN 60 Ca 0.00 -3.51 -0.07 0.00 -0.02 0.00 0.00 54.58 50.98 1f55 n ASN 60 Cb 0.10 -0.89 -0.03 0.00 -2.36 0.00 0.00 39.78 36.61 1f55 n ASN 60 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1f55 n HIS 61 N -0.81 -0.03 -3.60 -2.53 8.25 -1.26 -4.89 115.22 110.35 1f55 n HIS 61 Ca 0.54 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.88 1f55 n HIS 61 Cb 1.15 -2.42 -0.05 0.00 1.12 0.00 0.00 29.99 29.79 1f55 n HIS 61 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1f55 s GLN 62 N -2.52 1.04 0.09 -0.41 -0.21 -1.26 -3.67 119.66 112.72 1f55 s GLN 62 Ca 0.00 -0.44 0.02 0.00 0.02 0.00 0.00 55.36 54.97 1f55 s GLN 62 Cb 0.00 0.47 -0.04 0.00 1.00 0.00 0.00 33.01 34.44 1f55 s GLN 62 CO 0.00 -0.39 -0.08 0.96 -2.12 0.00 0.00 175.29 173.66 1f55 s ILE 63 N -3.00 0.71 0.49 1.08 -5.25 -0.57 -4.65 121.20 110.00 1f55 s ILE 63 Ca -0.02 -1.71 0.08 0.00 -0.99 0.00 0.00 60.65 58.01 1f55 s ILE 63 Cb 0.00 -1.40 0.03 0.00 2.95 0.00 0.00 42.46 44.03 1f55 s ILE 63 CO -0.06 -0.71 0.52 -1.61 -1.79 0.00 0.00 174.94 171.29 1f55 s GLU 64 N -3.18 2.46 0.00 0.37 2.02 -1.26 0.62 118.70 119.73 1f55 s GLU 64 Ca 0.06 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.42 1f55 s GLU 64 Cb 0.01 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1f55 s GLU 64 CO -0.03 -0.47 1.00 0.34 0.02 0.00 0.00 175.26 176.12 1f55 n PHE 65 N -1.82 0.00 -0.24 1.61 7.35 -1.16 -1.62 117.46 121.57 1f55 n PHE 65 Ca 0.06 0.00 0.19 0.00 -0.76 0.00 0.00 57.45 56.94 1f55 n PHE 65 Cb 0.62 -0.50 0.35 0.00 0.35 0.00 0.00 39.48 40.30 1f55 n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1f55 n SER 66 N -2.47 0.13 -0.13 -2.13 7.64 -1.26 0.25 113.62 115.65 1f55 n SER 66 Ca 0.00 1.21 -0.09 0.00 1.01 0.00 0.00 58.87 60.99 1f55 n SER 66 Cb 0.00 -0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 62.65 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1f55 h GLU 67 N 0.00 0.58 -0.79 1.43 5.08 -1.63 -1.46 114.58 117.80 1f55 h GLU 67 Ca 0.55 -0.11 0.13 0.00 -1.00 0.00 0.00 59.36 58.93 1f55 h GLU 67 Cb 1.37 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.47 1f55 h GLU 67 CO -0.60 0.57 0.52 0.35 -1.00 0.00 0.00 179.01 178.85 1f55 h PHE 68 N 0.48 0.63 0.04 4.33 3.57 0.40 -1.65 116.94 124.74 1f55 h PHE 68 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1f55 h PHE 68 Cb 0.21 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1f55 h PHE 68 CO 0.00 0.25 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.25 1f55 h LEU 69 N 0.55 -0.05 -0.95 0.59 -0.00 -0.69 0.17 115.31 114.94 1f55 h LEU 69 Ca 0.38 -0.42 0.29 0.00 -0.00 0.00 0.00 57.88 58.13 1f55 h LEU 69 Cb 0.71 0.01 -0.15 0.00 -0.00 0.00 0.00 40.66 41.23 1f55 h LEU 69 CO -0.14 0.41 0.35 0.00 -0.00 0.00 0.00 178.44 179.05 1f55 h ALA 70 N 0.41 1.58 0.00 1.53 0.00 -0.33 0.66 119.26 123.11 1f55 h ALA 70 Ca -0.01 0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1f55 h ALA 70 Cb 0.47 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1f55 h ALA 70 CO 0.01 -0.57 -1.00 1.25 0.00 0.00 0.00 179.25 178.93 1f55 h LEU 71 N 0.19 0.00 0.00 0.00 5.85 -1.39 -3.40 115.31 116.56 1f55 h LEU 71 Ca 0.65 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.37 1f55 h LEU 71 Cb 1.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1f55 h LEU 71 CO -0.69 0.58 0.00 0.23 -0.34 0.00 0.00 178.44 178.22 1f55 n MET 72 N -3.06 0.00 -1.51 1.25 2.81 0.22 -4.86 117.12 111.96 1f55 n MET 72 Ca -0.04 0.02 -0.30 0.00 -1.81 0.00 0.00 57.70 55.57 1f55 n MET 72 Cb 0.80 -0.81 0.19 0.00 -0.71 0.00 0.00 33.22 32.70 1f55 n MET 72 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1f55 s SER 73 N -1.61 2.43 -0.36 7.83 1.04 -0.66 -5.02 113.70 117.36 1f55 s SER 73 Ca 0.00 0.59 0.13 0.00 0.48 0.00 0.00 55.95 57.16 1f55 s SER 73 Cb 0.00 -0.86 0.45 0.00 0.10 0.00 0.00 66.02 65.71 1f55 s SER 73 CO 0.00 -3.18 1.02 -1.14 0.98 0.00 0.00 173.24 170.92 1f55 n ARG 74 N -4.13 2.06 0.00 4.02 0.00 -1.26 -4.77 116.66 112.59 1f55 n ARG 74 Ca 0.12 -3.74 0.00 0.00 -0.00 0.00 0.00 57.85 54.23 1f55 n ARG 74 Cb 0.59 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.40 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1f55 n GLN 75 N -0.25 0.00 -1.31 -0.14 -0.06 -1.26 -2.97 117.38 111.38 1f55 n GLN 75 Ca 0.21 0.00 -0.22 0.00 -2.00 0.00 0.00 57.00 54.99 1f55 n GLN 75 Cb 0.77 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.85 1f55 n GLN 75 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1f55 n LEU 76 N 0.00 6.11 0.00 1.69 4.32 -1.26 -5.11 117.00 122.75 1f55 n LEU 76 Ca 0.00 -3.76 0.09 0.00 -0.02 0.00 0.00 56.01 52.32 1f55 n LEU 76 Cb 0.00 -1.32 0.51 0.00 -1.62 0.00 0.00 43.42 40.98 1f55 n LEU 76 CO 0.00 1.74 0.71 1.17 -1.22 0.00 0.00 177.39 179.79