#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f55 n SER 2 N 0.00 0.07 0.01 -3.46 7.64 -1.26 -4.97 113.62 111.65 1f55 n SER 2 Ca 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 58.87 57.30 1f55 n SER 2 Cb 0.00 -0.60 -0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1f55 n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f55 n ASN 3 N 2.09 0.28 0.00 6.43 3.02 -1.26 -5.11 115.26 120.71 1f55 n ASN 3 Ca 0.26 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1f55 n ASN 3 Cb 0.50 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1f55 n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f55 n LEU 4 N -2.76 0.00 0.00 3.41 -0.00 -1.26 -4.49 117.00 111.90 1f55 n LEU 4 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1f55 n LEU 4 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1f55 n LEU 4 CO 0.01 0.00 0.00 0.35 -0.00 0.00 0.00 177.39 177.75 1f55 n THR 5 N 0.00 0.00 -0.60 1.47 -2.24 -1.26 -0.68 114.28 110.98 1f55 n THR 5 Ca 0.00 0.00 0.48 0.00 -2.27 0.00 0.00 64.05 62.26 1f55 n THR 5 Cb 0.00 0.00 0.79 0.00 -2.10 0.00 0.00 70.33 69.02 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 0.00 -0.08 -0.78 4.11 -1.97 1.01 114.58 116.87 1f55 h GLU 6 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1f55 h GLU 6 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1f55 h GLU 6 CO 0.00 0.00 -0.14 0.93 0.07 0.00 0.00 179.01 179.87 1f55 h GLU 7 N 0.00 0.24 -0.12 1.06 5.08 -1.24 -1.16 114.58 118.43 1f55 h GLU 7 Ca 0.83 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.98 1f55 h GLU 7 Cb 3.41 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 32.67 1f55 h GLU 7 CO -0.01 0.73 -0.19 -0.56 -1.00 0.00 0.00 179.01 177.98 1f55 h GLN 8 N -0.23 0.35 0.25 2.33 3.07 0.13 -2.76 115.11 118.24 1f55 h GLN 8 Ca 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 58.65 58.54 1f55 h GLN 8 Cb 0.72 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 28.27 1f55 h GLN 8 CO 0.03 0.78 -0.36 0.82 0.09 0.00 0.00 178.83 180.20 1f55 h ILE 9 N -0.06 0.00 -0.84 1.86 2.04 -0.54 0.41 117.51 120.39 1f55 h ILE 9 Ca 0.01 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.06 1f55 h ILE 9 Cb 0.75 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.68 1f55 h ILE 9 CO 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.09 1f55 h ALA 10 N -1.05 0.73 -0.77 1.87 0.00 -1.29 0.79 119.26 119.55 1f55 h ALA 10 Ca -0.03 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1f55 h ALA 10 Cb 0.58 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1f55 h ALA 10 CO -0.10 -0.44 0.41 1.49 0.00 0.00 0.00 179.25 180.61 1f55 h GLU 11 N 0.03 1.08 -0.08 0.00 4.81 -1.07 -2.76 114.58 116.59 1f55 h GLU 11 Ca 0.44 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1f55 h GLU 11 Cb 0.75 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1f55 h GLU 11 CO -0.81 0.81 0.03 0.74 -0.73 0.00 0.00 179.01 179.04 1f55 h PHE 12 N 1.07 0.13 -0.72 0.92 0.04 0.49 -2.67 116.94 116.20 1f55 h PHE 12 Ca 0.27 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.14 1f55 h PHE 12 Cb 0.05 -0.04 -0.13 0.00 2.20 0.00 0.00 35.95 38.03 1f55 h PHE 12 CO 0.00 0.28 -0.38 0.87 -0.60 0.00 0.00 178.31 178.49 1f55 h LYS 13 N -0.06 -0.12 -0.73 1.51 1.57 0.02 1.26 116.57 120.01 1f55 h LYS 13 Ca 0.03 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1f55 h LYS 13 Cb 0.21 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 1f55 h LYS 13 CO -0.00 -0.08 0.34 0.93 -0.57 0.00 0.00 179.45 180.07 1f55 h GLU 14 N -0.12 0.53 -0.07 3.15 3.07 -1.37 -1.59 114.58 118.17 1f55 h GLU 14 Ca 0.25 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1f55 h GLU 14 Cb 0.56 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1f55 h GLU 14 CO -0.78 0.35 -0.00 0.00 -1.40 0.00 0.00 179.01 177.18 1f55 h ALA 15 N 1.48 0.10 -0.17 3.43 0.00 0.76 -2.77 119.26 122.08 1f55 h ALA 15 Ca 0.38 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1f55 h ALA 15 Cb 0.48 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1f55 h ALA 15 CO -0.32 -0.21 -0.29 0.35 0.00 0.00 0.00 179.25 178.78 1f55 h PHE 16 N -0.17 -0.87 -0.85 0.00 3.57 0.21 0.43 116.94 119.26 1f55 h PHE 16 Ca 0.02 0.04 0.20 0.00 3.53 0.00 0.00 57.97 61.76 1f55 h PHE 16 Cb 0.36 0.40 -0.15 0.00 2.79 0.00 0.00 35.95 39.35 1f55 h PHE 16 CO 0.04 -0.26 -0.01 0.00 -2.23 0.00 0.00 178.31 175.84 1f55 h ALA 17 N -0.70 0.89 -0.82 2.41 0.00 -1.39 0.54 119.26 120.19 1f55 h ALA 17 Ca 0.03 0.29 0.18 0.00 0.00 0.00 0.00 54.91 55.41 1f55 h ALA 17 Cb 0.32 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 18.47 1f55 h ALA 17 CO -0.29 -0.46 -0.07 1.25 0.00 0.00 0.00 179.25 179.68 1f55 h LEU 18 N 0.07 -0.53 -0.65 0.00 5.85 -0.62 0.64 115.31 120.06 1f55 h LEU 18 Ca 0.48 0.23 -0.11 0.00 0.84 0.00 0.00 57.88 59.32 1f55 h LEU 18 Cb 0.88 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1f55 h LEU 18 CO -0.78 -0.24 -0.14 -0.26 -0.34 0.00 0.00 178.44 176.68 1f55 h PHE 19 N 0.05 1.02 -3.25 1.25 0.04 0.52 -3.41 116.94 113.15 1f55 h PHE 19 Ca 0.44 -0.21 -0.58 0.00 2.80 0.00 0.00 57.97 60.41 1f55 h PHE 19 Cb 0.76 -0.25 -0.07 0.00 2.20 0.00 0.00 35.95 38.59 1f55 h PHE 19 CO -0.52 0.98 0.73 0.34 -0.60 0.00 0.00 178.31 179.24 1f55 s ASP 20 N -6.69 6.94 0.00 2.17 -1.08 0.22 -2.91 116.67 115.32 1f55 s ASP 20 Ca -0.10 1.10 0.16 0.00 -0.52 0.00 0.00 52.55 53.18 1f55 s ASP 20 Cb 0.13 -2.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.60 1f55 s ASP 20 CO 0.85 -0.74 1.40 0.29 0.52 0.00 0.00 175.17 177.49 1f55 n LYS 21 N 6.51 1.79 0.00 4.34 4.76 -1.26 -3.81 118.16 130.48 1f55 n LYS 21 Ca 0.10 -1.21 0.00 0.00 -2.87 0.00 0.00 58.31 54.33 1f55 n LYS 21 Cb 0.47 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1f55 n ASP 22 N 0.45 1.16 -1.81 4.39 8.00 -1.26 -5.00 116.55 122.48 1f55 n ASP 22 Ca 0.14 -0.30 -0.18 0.00 0.71 0.00 0.00 54.79 55.16 1f55 n ASP 22 Cb 0.32 0.82 -0.04 0.00 -0.02 0.00 0.00 41.12 42.20 1f55 n ASP 22 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1f55 n ASN 23 N -0.94 -5.29 -1.11 -2.24 5.03 -1.25 -4.84 115.26 104.62 1f55 n ASN 23 Ca 0.00 0.18 -0.01 0.00 0.87 0.00 0.00 54.58 55.62 1f55 n ASN 23 Cb 0.00 -4.38 0.11 0.00 -1.02 0.00 0.00 39.78 34.48 1f55 n ASN 23 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1f55 n ASN 24 N -1.29 2.79 -0.78 6.41 5.03 -1.26 -4.79 115.26 121.37 1f55 n ASN 24 Ca -0.20 -2.38 -0.10 0.00 0.87 0.00 0.00 54.58 52.76 1f55 n ASN 24 Cb 0.64 -0.58 -0.04 0.00 -1.02 0.00 0.00 39.78 38.78 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 0.12 1.01 3.13 7.41 0.00 -1.26 -4.93 105.19 110.68 1f55 n GLY 25 Ca 0.13 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.43 -0.14 -0.03 1.61 0.15 -1.26 -3.13 113.70 108.48 1f55 s SER 26 Ca 0.00 0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.87 1f55 s SER 26 Cb 0.00 0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1f55 s SER 26 CO 0.00 -0.25 -0.21 -0.63 1.20 0.00 0.00 173.24 173.35 1f55 s ILE 27 N -0.68 1.71 0.00 6.45 1.01 0.28 -4.77 121.20 125.20 1f55 s ILE 27 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.67 1f55 s ILE 27 Cb -0.04 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1f55 s ILE 27 CO 0.01 0.48 0.00 -0.24 0.00 0.00 0.00 174.94 175.20 1f55 n SER 28 N 2.73 0.37 0.00 3.58 2.88 -1.26 -0.37 113.62 121.55 1f55 n SER 28 Ca -0.16 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1f55 n SER 28 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1f55 n SER 28 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1f55 n SER 29 N -1.32 0.00 -0.29 -3.46 7.64 -1.25 -2.55 113.62 112.39 1f55 n SER 29 Ca 0.00 0.64 0.11 0.00 1.01 0.00 0.00 58.87 60.63 1f55 n SER 29 Cb 0.00 -0.15 0.26 0.00 -1.01 0.00 0.00 64.21 63.31 1f55 n SER 29 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1f55 h SER 30 N 0.00 0.08 -0.36 6.43 0.87 -1.96 -2.15 113.55 116.47 1f55 h SER 30 Ca 0.00 0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1f55 h SER 30 Cb 0.00 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 1f55 h SER 30 CO 0.00 -0.08 -0.27 -0.33 -0.53 0.00 0.00 176.83 175.62 1f55 h GLU 31 N 0.27 -0.07 -0.86 2.24 5.08 -1.80 0.59 114.58 120.03 1f55 h GLU 31 Ca 0.52 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 59.01 1f55 h GLU 31 Cb 0.98 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 1f55 h GLU 31 CO -0.58 -0.05 0.47 1.25 -1.00 0.00 0.00 179.01 179.10 1f55 h LEU 32 N -0.08 0.61 -2.01 1.33 7.12 -1.11 0.36 115.31 121.53 1f55 h LEU 32 Ca 0.06 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.15 1f55 h LEU 32 Cb 0.23 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 1f55 h LEU 32 CO -0.38 0.29 0.00 0.00 -0.13 0.00 0.00 178.44 178.22 1f55 h ALA 33 N 1.53 1.00 -0.22 1.25 0.00 -0.37 -3.31 119.26 119.15 1f55 h ALA 33 Ca 0.45 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.66 1f55 h ALA 33 Cb 0.58 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1f55 h ALA 33 CO -0.32 0.00 3.15 2.41 0.00 0.00 0.00 179.25 184.48 1f55 n THR 34 N -3.05 4.16 0.00 0.00 -1.04 0.18 -3.52 114.28 111.01 1f55 n THR 34 Ca -0.01 -3.24 0.00 0.00 -2.04 0.00 0.00 64.05 58.77 1f55 n THR 34 Cb 0.21 -2.50 0.00 0.00 -1.82 0.00 0.00 70.33 66.22 1f55 n THR 34 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1f55 n VAL 35 N 3.80 0.00 -0.07 12.58 0.31 -1.25 -4.72 118.33 128.99 1f55 n VAL 35 Ca 0.62 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.87 1f55 n VAL 35 Cb 0.31 -0.04 -0.08 0.00 -0.91 0.00 0.00 33.84 33.11 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1f55 n MET 36 N -2.00 1.34 -0.31 5.55 2.81 -1.25 -4.49 117.12 118.76 1f55 n MET 36 Ca 0.00 0.03 0.29 0.00 -1.81 0.00 0.00 57.70 56.21 1f55 n MET 36 Cb 0.00 -1.31 0.63 0.00 -0.71 0.00 0.00 33.22 31.84 1f55 n MET 36 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1f55 h ARG 37 N 0.00 0.18 0.41 0.03 1.12 -0.39 0.78 114.38 116.51 1f55 h ARG 37 Ca -0.33 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.51 1f55 h ARG 37 Cb 1.65 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.57 1f55 h ARG 37 CO -0.01 0.12 -0.20 0.77 -3.11 0.00 0.00 179.97 177.54 1f55 h SER 38 N 0.18 -0.47 -1.51 -3.80 0.02 -1.82 -3.39 113.55 102.78 1f55 h SER 38 Ca 0.57 -0.11 -0.45 0.00 -0.84 0.00 0.00 61.79 60.97 1f55 h SER 38 Cb 1.87 0.12 -0.33 0.00 0.14 0.00 0.00 62.40 64.20 1f55 h SER 38 CO -0.15 -0.13 -0.98 -0.11 -1.14 0.00 0.00 176.83 174.31 1f55 n LEU 39 N -5.22 -0.29 0.00 5.07 -0.00 -0.41 -4.91 117.00 111.24 1f55 n LEU 39 Ca -0.10 -4.51 0.00 0.00 -0.00 0.00 0.00 56.01 51.40 1f55 n LEU 39 Cb 0.29 0.73 0.00 0.00 -0.00 0.00 0.00 43.42 44.44 1f55 n LEU 39 CO 0.31 2.14 0.00 0.61 -0.00 0.00 0.00 177.39 180.45 1f55 n GLY 40 N 0.92 -0.03 0.00 -3.96 0.00 0.23 -4.94 105.19 97.40 1f55 n GLY 40 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1f55 n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f55 n LEU 41 N -1.36 0.00 -4.18 0.99 7.94 0.13 -4.91 117.00 115.61 1f55 n LEU 41 Ca 0.00 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.50 1f55 n LEU 41 Cb 0.00 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.88 1f55 n LEU 41 CO 0.00 0.00 0.19 -0.94 -1.11 0.00 0.00 177.39 175.53 1f55 s SER 42 N 0.00 5.81 0.00 1.96 1.04 -1.26 0.09 113.70 121.33 1f55 s SER 42 Ca 0.00 -2.80 0.00 0.00 0.48 0.00 0.00 55.95 53.63 1f55 s SER 42 Cb 0.00 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1f55 s SER 42 CO 0.00 -0.44 0.00 -0.81 0.98 0.00 0.00 173.24 172.97 1f55 n PRO 43 N 3.66 1.07 -4.23 4.02 -0.04 -1.26 -5.00 135.00 133.22 1f55 n PRO 43 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1f55 n PRO 43 Cb 0.41 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.77 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f55 s SER 44 N -1.31 0.92 0.17 3.54 0.01 -1.26 -4.91 113.70 110.86 1f55 s SER 44 Ca 0.00 -1.22 -0.11 0.00 1.31 0.00 0.00 55.95 55.92 1f55 s SER 44 Cb 0.00 0.18 0.20 0.00 0.21 0.00 0.00 66.02 66.62 1f55 s SER 44 CO 0.00 -0.65 1.12 1.21 0.41 0.00 0.00 173.24 175.33 1f55 n GLU 45 N -0.24 -0.15 -0.30 12.44 2.13 -1.26 0.18 120.64 133.44 1f55 n GLU 45 Ca -0.05 1.11 0.09 0.00 0.66 0.00 0.00 57.16 58.98 1f55 n GLU 45 Cb 0.64 -1.65 0.21 0.00 0.27 0.00 0.00 31.44 30.91 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1f55 h ALA 46 N 1.07 0.94 0.00 4.31 0.00 -1.98 0.58 119.26 124.19 1f55 h ALA 46 Ca 0.27 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 1f55 h ALA 46 Cb 0.45 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1f55 h ALA 46 CO -0.72 -0.47 -0.10 1.49 0.00 0.00 0.00 179.25 179.45 1f55 h GLU 47 N 0.07 0.00 -0.13 0.00 4.57 0.15 -2.19 114.58 117.06 1f55 h GLU 47 Ca 0.49 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.69 1f55 h GLU 47 Cb 0.93 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.49 1f55 h GLU 47 CO -0.78 0.65 -0.16 0.28 -1.18 0.00 0.00 179.01 177.82 1f55 h VAL 48 N -1.00 0.00 -0.25 0.32 2.07 0.73 0.11 116.25 118.23 1f55 h VAL 48 Ca -0.02 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1f55 h VAL 48 Cb 0.69 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1f55 h VAL 48 CO -0.01 0.00 -0.04 -1.13 0.02 0.00 0.00 177.57 176.40 1f55 h ASN 49 N -0.11 -0.19 -0.95 0.57 -1.24 -0.05 -1.39 115.58 112.22 1f55 h ASN 49 Ca 0.02 0.07 0.27 0.00 0.71 0.00 0.00 56.30 57.37 1f55 h ASN 49 Cb 0.17 0.14 -0.14 0.00 0.73 0.00 0.00 38.32 39.22 1f55 h ASN 49 CO -0.18 -0.06 0.43 -0.78 -1.29 0.00 0.00 177.43 175.55 1f55 h ASP 50 N 0.02 0.33 0.71 1.15 3.58 -0.66 0.16 116.42 121.71 1f55 h ASP 50 Ca 0.12 0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 1f55 h ASP 50 Cb 0.18 0.17 0.01 0.00 1.72 0.00 0.00 39.33 41.41 1f55 h ASP 50 CO -0.24 -0.10 -0.34 0.25 -2.88 0.00 0.00 179.24 175.93 1f55 h LEU 51 N 0.32 -0.81 -0.57 2.28 6.46 0.30 -1.50 115.31 121.79 1f55 h LEU 51 Ca 0.64 0.03 0.11 0.00 -0.12 0.00 0.00 57.88 58.54 1f55 h LEU 51 Cb 1.35 0.21 -0.09 0.00 -0.73 0.00 0.00 40.66 41.39 1f55 h LEU 51 CO -0.60 -0.46 0.00 -0.03 -0.62 0.00 0.00 178.44 176.73 1f55 h MET 52 N -1.19 0.12 -0.14 1.25 4.05 -0.95 -1.46 114.93 116.62 1f55 h MET 52 Ca -0.10 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.35 1f55 h MET 52 Cb 0.73 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.46 1f55 h MET 52 CO 0.16 0.08 -0.12 -0.97 0.23 0.00 0.00 176.91 176.29 1f55 h ASN 53 N 0.12 -0.38 -0.37 1.39 -0.00 -0.71 0.44 115.58 116.07 1f55 h ASN 53 Ca 0.29 0.08 0.04 0.00 -0.00 0.00 0.00 56.30 56.71 1f55 h ASN 53 Cb 0.46 0.19 -0.07 0.00 -0.00 0.00 0.00 38.32 38.89 1f55 h ASN 53 CO -0.48 -0.16 -0.49 -0.08 -0.00 0.00 0.00 177.43 176.22 1f55 h GLU 54 N -0.14 -0.33 0.00 6.67 4.57 -0.18 0.40 114.58 125.58 1f55 h GLU 54 Ca 0.09 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1f55 h GLU 54 Cb 0.27 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1f55 h GLU 54 CO -0.22 -0.22 0.00 0.82 -1.18 0.00 0.00 179.01 178.21 1f55 h ILE 55 N -0.34 0.00 -0.08 2.32 2.04 -1.26 -3.40 117.51 116.79 1f55 h ILE 55 Ca 0.07 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1f55 h ILE 55 Cb 0.52 1.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1f55 h ILE 55 CO -0.53 0.00 0.06 -0.67 0.00 0.00 0.00 178.15 177.01 1f55 n ASP 56 N -2.51 1.28 -0.08 1.72 -0.08 0.15 -4.67 116.55 112.36 1f55 n ASP 56 Ca 0.02 -2.48 0.11 0.00 -1.51 0.00 0.00 54.79 50.92 1f55 n ASP 56 Cb 0.25 -1.69 0.49 0.00 2.34 0.00 0.00 41.12 42.51 1f55 n ASP 56 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1f55 h VAL 57 N 6.64 0.92 0.00 5.18 -1.51 -1.80 -2.72 116.25 122.96 1f55 h VAL 57 Ca 0.01 -0.15 -0.26 0.00 -1.23 0.00 0.00 66.70 65.07 1f55 h VAL 57 Cb 0.99 0.45 -0.05 0.00 -2.13 0.00 0.00 31.29 30.55 1f55 h VAL 57 CO 1.04 0.08 -2.19 -0.90 -1.23 0.00 0.00 177.57 174.36 1f55 n ASP 58 N -4.47 0.42 -1.10 4.19 5.68 -1.26 -5.05 116.55 114.96 1f55 n ASP 58 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 1f55 n ASP 58 Cb 0.34 1.18 0.00 0.00 -1.14 0.00 0.00 41.12 41.49 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1f55 n GLY 59 N 1.74 0.11 1.56 6.12 0.00 -1.03 -5.02 105.19 108.68 1f55 n GLY 59 Ca -0.24 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.78 3.07 -0.34 1.61 6.94 -1.26 -4.92 115.26 119.58 1f55 n ASN 60 Ca 0.00 -3.46 -0.04 0.00 -0.02 0.00 0.00 54.58 51.06 1f55 n ASN 60 Cb 0.37 -0.42 -0.02 0.00 -2.36 0.00 0.00 39.78 37.35 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 -0.74 0.00 -3.67 -2.53 8.25 -1.26 -4.87 115.22 110.40 1f55 n HIS 61 Ca 0.28 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.71 1f55 n HIS 61 Cb 0.87 -2.10 -0.01 0.00 1.12 0.00 0.00 29.99 29.86 1f55 n HIS 61 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1f55 s GLN 62 N -2.20 0.84 0.12 -0.41 -2.07 -1.25 -3.88 119.66 110.81 1f55 s GLN 62 Ca 0.00 -0.44 0.06 0.00 -1.82 0.00 0.00 55.36 53.15 1f55 s GLN 62 Cb 0.00 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1f55 s GLN 62 CO 0.00 -0.38 -0.13 0.96 -1.32 0.00 0.00 175.29 174.41 1f55 s ILE 63 N -2.94 1.28 0.44 3.63 -5.25 0.50 -4.70 121.20 114.15 1f55 s ILE 63 Ca 0.12 -1.75 0.08 0.00 -0.99 0.00 0.00 60.65 58.11 1f55 s ILE 63 Cb 0.01 -1.55 0.01 0.00 2.95 0.00 0.00 42.46 43.88 1f55 s ILE 63 CO -0.01 -0.47 0.52 -1.61 -1.79 0.00 0.00 174.94 171.58 1f55 s GLU 64 N -2.80 2.67 0.00 0.37 2.02 -1.26 1.00 118.70 120.70 1f55 s GLU 64 Ca 0.09 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1f55 s GLU 64 Cb -0.04 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.59 1f55 s GLU 64 CO 0.03 -0.30 0.77 0.34 0.02 0.00 0.00 175.26 176.11 1f55 n PHE 65 N -1.78 0.00 -0.24 1.61 7.35 -1.18 -0.99 117.46 122.23 1f55 n PHE 65 Ca 0.07 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.96 1f55 n PHE 65 Cb 0.60 -0.27 0.38 0.00 0.35 0.00 0.00 39.48 40.54 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 -1.71 0.17 -0.13 -2.13 7.64 -1.26 0.26 113.62 116.46 1f55 n SER 66 Ca 0.00 1.23 -0.10 0.00 1.01 0.00 0.00 58.87 61.02 1f55 n SER 66 Cb 0.00 -0.56 -0.02 0.00 -1.01 0.00 0.00 64.21 62.62 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 0.62 -0.62 1.43 5.08 -1.64 -1.22 114.58 118.24 1f55 h GLU 67 Ca 0.58 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.86 1f55 h GLU 67 Cb 1.47 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1f55 h GLU 67 CO -0.60 0.68 0.41 0.35 -1.00 0.00 0.00 179.01 178.85 1f55 h PHE 68 N 0.47 0.52 0.13 4.33 3.57 0.54 -2.19 116.94 124.32 1f55 h PHE 68 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1f55 h PHE 68 Cb 0.35 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1f55 h PHE 68 CO 0.02 0.26 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.23 1f55 h LEU 69 N 0.50 -0.15 -0.96 0.59 -0.00 -0.57 0.18 115.31 114.91 1f55 h LEU 69 Ca 0.28 -0.36 0.30 0.00 -0.00 0.00 0.00 57.88 58.10 1f55 h LEU 69 Cb 0.43 0.04 -0.15 0.00 -0.00 0.00 0.00 40.66 40.98 1f55 h LEU 69 CO -0.08 0.32 0.39 0.00 -0.00 0.00 0.00 178.44 179.06 1f55 h ALA 70 N 0.09 1.65 0.00 1.53 0.00 -0.62 0.78 119.26 122.69 1f55 h ALA 70 Ca -0.02 0.23 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1f55 h ALA 70 Cb 0.50 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1f55 h ALA 70 CO 0.03 -0.59 -0.90 1.25 0.00 0.00 0.00 179.25 179.04 1f55 h LEU 71 N 0.20 0.00 0.00 0.00 5.85 -1.41 -3.40 115.31 116.55 1f55 h LEU 71 Ca 0.67 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.39 1f55 h LEU 71 Cb 1.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1f55 h LEU 71 CO -0.68 0.47 0.00 0.23 -0.34 0.00 0.00 178.44 178.12 1f55 n MET 72 N -3.03 0.00 -0.88 1.25 2.81 0.26 -4.83 117.12 112.70 1f55 n MET 72 Ca -0.03 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.51 1f55 n MET 72 Cb 0.75 -0.69 0.09 0.00 -0.71 0.00 0.00 33.22 32.66 1f55 n MET 72 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1f55 n SER 73 N -0.45 -3.63 -3.48 7.83 3.41 -0.70 -5.01 113.62 111.60 1f55 n SER 73 Ca 0.00 0.13 -0.06 0.00 -0.26 0.00 0.00 58.87 58.68 1f55 n SER 73 Cb 0.00 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.08 1f55 n SER 73 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1f55 s ARG 74 N -2.73 1.64 0.00 4.33 3.52 -1.26 -4.91 118.95 119.54 1f55 s ARG 74 Ca 0.47 -0.98 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1f55 s ARG 74 Cb -0.12 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.78 1f55 s ARG 74 CO 0.72 -0.76 0.00 0.00 -0.81 0.00 0.00 175.30 174.45 1f55 n GLN 75 N -0.53 1.82 -3.02 5.12 10.64 -1.26 -5.01 117.38 125.14 1f55 n GLN 75 Ca -0.06 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 54.97 1f55 n GLN 75 Cb 0.60 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.95 1f55 n GLN 75 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 1f55 n LEU 76 N 0.00 -1.93 0.00 2.61 7.94 -1.26 -5.29 117.00 119.07 1f55 n LEU 76 Ca 0.00 -3.69 0.00 0.00 -1.11 0.00 0.00 56.01 51.21 1f55 n LEU 76 Cb 0.00 0.69 0.00 0.00 0.53 0.00 0.00 43.42 44.64 1f55 n LEU 76 CO 0.00 1.94 0.00 0.29 -1.11 0.00 0.00 177.39 178.51