#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 4.32 0.01 6.43 2.88 -1.26 -4.56 113.62 121.44 1f55 n SER 2 Ca 0.00 -3.68 -0.02 0.00 -1.33 0.00 0.00 58.87 53.84 1f55 n SER 2 Cb 0.00 -0.82 -0.01 0.00 -0.75 0.00 0.00 64.21 62.63 1f55 n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1f55 n ASN 3 N -1.09 1.14 0.00 -3.46 4.13 -1.26 -5.04 115.26 109.68 1f55 n ASN 3 Ca 0.56 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.98 1f55 n ASN 3 Cb 1.37 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 39.20 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 -3.57 0.00 0.00 3.41 4.32 -1.26 -4.46 117.00 115.44 1f55 n LEU 4 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1f55 n LEU 4 Cb 0.13 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1f55 n LEU 4 CO 0.05 0.00 0.00 0.35 -1.22 0.00 0.00 177.39 176.57 1f55 n THR 5 N 0.00 0.00 -0.42 -5.08 -2.24 -1.26 -1.23 114.28 104.05 1f55 n THR 5 Ca 0.00 0.00 0.34 0.00 -2.27 0.00 0.00 64.05 62.12 1f55 n THR 5 Cb 0.00 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 68.85 1f55 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1f55 h GLU 6 N 0.00 0.14 -0.13 -0.78 5.08 -1.95 0.91 114.58 117.84 1f55 h GLU 6 Ca 0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1f55 h GLU 6 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1f55 h GLU 6 CO 0.00 0.09 -0.09 1.49 -1.00 0.00 0.00 179.01 179.50 1f55 h GLU 7 N 0.15 -0.09 -0.11 2.33 4.81 -1.45 1.02 114.58 121.24 1f55 h GLU 7 Ca 0.77 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.94 1f55 h GLU 7 Cb 2.35 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.75 1f55 h GLU 7 CO -0.38 -0.06 -0.20 -0.56 -0.73 0.00 0.00 179.01 177.08 1f55 h GLN 8 N -0.10 0.32 0.11 1.92 3.07 0.10 -2.69 115.11 117.85 1f55 h GLN 8 Ca 0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 58.65 58.61 1f55 h GLN 8 Cb 0.22 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.80 1f55 h GLN 8 CO -0.19 0.79 -0.08 0.82 0.09 0.00 0.00 178.83 180.26 1f55 h ILE 9 N -0.11 0.00 -0.99 1.86 2.04 0.01 0.34 117.51 120.67 1f55 h ILE 9 Ca 0.01 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.11 1f55 h ILE 9 Cb 0.78 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.67 1f55 h ILE 9 CO 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.11 1f55 h ALA 10 N -1.70 0.96 -0.46 1.87 0.00 0.97 1.10 119.26 122.01 1f55 h ALA 10 Ca -0.01 0.36 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1f55 h ALA 10 Cb 0.15 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1f55 h ALA 10 CO 0.00 -0.50 0.25 0.93 0.00 0.00 0.00 179.25 179.94 1f55 h GLU 11 N 0.01 0.64 -0.16 0.00 4.39 -1.13 -2.74 114.58 115.58 1f55 h GLU 11 Ca 0.55 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.17 1f55 h GLU 11 Cb 1.03 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1f55 h GLU 11 CO -0.96 0.51 0.09 0.74 -1.16 0.00 0.00 179.01 178.23 1f55 h PHE 12 N 0.60 0.22 -0.73 4.33 0.04 0.52 -2.66 116.94 119.26 1f55 h PHE 12 Ca 0.16 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 61.04 1f55 h PHE 12 Cb 0.05 -0.07 -0.12 0.00 2.20 0.00 0.00 35.95 38.01 1f55 h PHE 12 CO -0.02 0.20 -0.41 0.87 -0.60 0.00 0.00 178.31 178.35 1f55 h LYS 13 N 0.18 -0.13 -0.78 1.51 1.57 -0.04 1.16 116.57 120.04 1f55 h LYS 13 Ca 0.06 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.99 1f55 h LYS 13 Cb 0.05 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.30 1f55 h LYS 13 CO -0.01 -0.08 0.35 1.49 -0.57 0.00 0.00 179.45 180.63 1f55 h GLU 14 N -0.13 0.50 0.05 3.15 4.22 -1.26 -1.33 114.58 119.79 1f55 h GLU 14 Ca 0.24 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.64 1f55 h GLU 14 Cb 0.56 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1f55 h GLU 14 CO -0.79 0.33 -0.02 0.00 -2.18 0.00 0.00 179.01 176.35 1f55 h ALA 15 N 1.54 -0.07 -0.33 2.92 0.00 0.11 -2.78 119.26 120.64 1f55 h ALA 15 Ca 0.42 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.22 1f55 h ALA 15 Cb 0.61 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1f55 h ALA 15 CO -0.38 -0.39 -0.34 0.35 0.00 0.00 0.00 179.25 178.49 1f55 h PHE 16 N -0.37 -1.07 -0.82 0.00 3.57 0.20 0.15 116.94 118.60 1f55 h PHE 16 Ca -0.01 0.06 0.18 0.00 3.53 0.00 0.00 57.97 61.73 1f55 h PHE 16 Cb 0.33 0.51 -0.15 0.00 2.79 0.00 0.00 35.95 39.43 1f55 h PHE 16 CO 0.03 -0.28 -0.14 0.00 -2.23 0.00 0.00 178.31 175.68 1f55 h ALA 17 N -0.44 0.65 -1.01 2.41 0.00 -1.38 1.03 119.26 120.53 1f55 h ALA 17 Ca 0.06 0.31 0.29 0.00 0.00 0.00 0.00 54.91 55.56 1f55 h ALA 17 Cb 0.34 0.58 -0.14 0.00 0.00 0.00 0.00 17.79 18.57 1f55 h ALA 17 CO -0.41 -0.42 0.59 1.25 0.00 0.00 0.00 179.25 180.25 1f55 h LEU 18 N 0.02 0.59 0.06 0.00 5.85 -0.44 0.48 115.31 121.87 1f55 h LEU 18 Ca 0.42 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 59.30 1f55 h LEU 18 Cb 0.68 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1f55 h LEU 18 CO -0.82 -0.02 -0.03 -0.26 -0.34 0.00 0.00 178.44 176.98 1f55 h PHE 19 N 0.45 -0.08 -4.09 1.25 0.04 0.17 -3.44 116.94 111.24 1f55 h PHE 19 Ca 0.69 -0.00 -0.51 0.00 2.80 0.00 0.00 57.97 60.95 1f55 h PHE 19 Cb 1.46 0.03 0.08 0.00 2.20 0.00 0.00 35.95 39.72 1f55 h PHE 19 CO -0.01 0.37 0.43 0.34 -0.60 0.00 0.00 178.31 178.84 1f55 s ASP 20 N -5.56 5.62 0.00 2.17 2.15 0.16 -3.71 116.67 117.50 1f55 s ASP 20 Ca -0.15 2.20 0.09 0.00 0.43 0.00 0.00 52.55 55.12 1f55 s ASP 20 Cb 0.02 -2.58 0.22 0.00 -0.30 0.00 0.00 42.92 40.27 1f55 s ASP 20 CO 0.63 -1.29 1.12 0.29 -0.17 0.00 0.00 175.17 175.76 1f55 n LYS 21 N -1.39 2.30 0.00 4.34 4.76 -1.26 -4.52 118.16 122.39 1f55 n LYS 21 Ca 0.12 -1.76 0.00 0.00 -2.87 0.00 0.00 58.31 53.80 1f55 n LYS 21 Cb 0.51 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.48 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 0.40 0.21 -1.46 4.39 8.00 -1.26 -5.00 116.55 121.83 1f55 n ASP 22 Ca 0.09 -0.33 -0.17 0.00 0.71 0.00 0.00 54.79 55.09 1f55 n ASP 22 Cb 0.36 0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 42.10 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 -0.72 -5.09 -0.34 -2.24 5.03 -1.26 -4.83 115.26 105.81 1f55 n ASN 23 Ca 0.00 0.34 0.01 0.00 0.87 0.00 0.00 54.58 55.80 1f55 n ASN 23 Cb 0.00 -4.13 0.04 0.00 -1.02 0.00 0.00 39.78 34.67 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 -0.90 0.85 0.00 6.41 5.03 -1.26 -4.80 115.26 120.58 1f55 n ASN 24 Ca -0.18 -2.04 0.00 0.00 0.87 0.00 0.00 54.58 53.23 1f55 n ASN 24 Cb 0.59 -0.23 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 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 0.43 0.42 3.07 7.41 0.00 -1.26 -4.97 105.19 110.30 1f55 n GLY 25 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.21 1.03 -0.05 1.61 0.15 -1.26 -2.96 113.70 110.01 1f55 s SER 26 Ca 0.00 -0.50 0.06 0.00 0.70 0.00 0.00 55.95 56.21 1f55 s SER 26 Cb 0.00 -0.00 -0.01 0.00 -1.71 0.00 0.00 66.02 64.30 1f55 s SER 26 CO 0.00 -0.13 -0.22 -0.63 1.20 0.00 0.00 173.24 173.45 1f55 s ILE 27 N -1.17 1.83 0.00 6.45 1.01 0.16 -4.76 121.20 124.72 1f55 s ILE 27 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1f55 s ILE 27 Cb -0.09 -1.55 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1f55 s ILE 27 CO 0.01 0.52 0.00 -0.24 0.00 0.00 0.00 174.94 175.22 1f55 n SER 28 N 2.94 0.48 -0.03 3.58 2.88 -1.26 -0.34 113.62 121.87 1f55 n SER 28 Ca -0.17 -0.64 -0.13 0.00 -1.33 0.00 0.00 58.87 56.60 1f55 n SER 28 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1f55 n SER 28 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1f55 h SER 29 N 0.00 0.16 0.91 -3.46 0.87 -1.90 -2.77 113.55 107.37 1f55 h SER 29 Ca 0.00 -0.57 -0.02 0.00 -1.23 0.00 0.00 61.79 59.97 1f55 h SER 29 Cb 0.00 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1f55 h SER 29 CO 0.00 0.70 -0.07 -1.28 -0.53 0.00 0.00 176.83 175.65 1f55 h SER 30 N -0.38 0.00 0.05 6.23 0.87 -1.93 -2.25 113.55 116.13 1f55 h SER 30 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1f55 h SER 30 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 1f55 h SER 30 CO 0.02 0.07 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.04 1f55 h GLU 31 N 0.00 -0.06 0.00 2.24 5.08 -1.83 -2.22 114.58 117.79 1f55 h GLU 31 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1f55 h GLU 31 Cb 0.55 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1f55 h GLU 31 CO 0.01 0.52 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.29 1f55 h LEU 32 N -0.72 0.00 -0.14 1.33 3.38 -1.47 -2.93 115.31 114.76 1f55 h LEU 32 Ca -0.01 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1f55 h LEU 32 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1f55 h LEU 32 CO 0.01 0.18 -0.96 0.00 0.09 0.00 0.00 178.44 177.76 1f55 h ALA 33 N 1.82 0.43 0.00 1.53 0.00 -1.42 -3.12 119.26 118.50 1f55 h ALA 33 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1f55 h ALA 33 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1f55 h ALA 33 CO 0.02 1.05 0.00 -2.37 0.00 0.00 0.00 179.25 177.96 1f55 n THR 34 N -3.52 0.68 1.25 0.00 5.66 -0.84 -2.47 114.28 115.03 1f55 n THR 34 Ca -0.03 0.06 0.13 0.00 -3.05 0.00 0.00 64.05 61.16 1f55 n THR 34 Cb 0.88 -0.88 0.32 0.00 -1.55 0.00 0.00 70.33 69.10 1f55 n THR 34 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1f55 n VAL 35 N -2.01 0.00 -0.05 1.08 3.14 -1.18 -4.20 118.33 115.11 1f55 n VAL 35 Ca 0.04 -0.24 -0.09 0.00 -2.96 0.00 0.00 64.34 61.09 1f55 n VAL 35 Cb 0.29 0.73 -0.03 0.00 -1.06 0.00 0.00 33.84 33.77 1f55 n VAL 35 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1f55 n MET 36 N -0.01 0.33 -0.34 1.45 2.81 -1.03 -4.57 117.12 115.76 1f55 n MET 36 Ca 0.14 0.13 0.28 0.00 -1.81 0.00 0.00 57.70 56.44 1f55 n MET 36 Cb 0.41 -1.07 0.53 0.00 -0.71 0.00 0.00 33.22 32.38 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 -0.61 0.18 0.00 0.03 2.43 -1.14 1.89 114.38 117.16 1f55 h ARG 37 Ca -0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1f55 h ARG 37 Cb 0.80 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1f55 h ARG 37 CO -0.07 0.12 0.00 0.43 -1.51 0.00 0.00 179.97 178.94 1f55 n SER 38 N -5.10 0.00 -0.01 -3.80 7.64 -1.26 -4.18 113.62 106.91 1f55 n SER 38 Ca 0.35 0.38 0.06 0.00 1.01 0.00 0.00 58.87 60.67 1f55 n SER 38 Cb 1.13 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 64.22 1f55 n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f55 n LEU 39 N -0.65 0.00 0.00 -3.43 -0.00 -1.04 -4.81 117.00 107.06 1f55 n LEU 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1f55 n LEU 39 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.45 1f55 n LEU 39 CO 0.00 0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.03 1f55 n GLY 40 N 1.67 1.37 3.62 1.47 0.00 0.59 -5.08 105.19 108.83 1f55 n GLY 40 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 1f55 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f55 s LEU 41 N -0.09 -0.11 -0.77 0.99 2.96 0.15 -4.82 118.68 116.98 1f55 s LEU 41 Ca 0.00 0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.93 1f55 s LEU 41 Cb 0.00 1.28 0.20 0.00 0.50 0.00 0.00 46.19 48.17 1f55 s LEU 41 CO 0.00 -0.13 0.65 -0.94 -1.32 0.00 0.00 176.35 174.61 1f55 s SER 42 N -1.40 5.97 0.00 3.68 1.04 -1.26 -1.63 113.70 120.09 1f55 s SER 42 Ca 0.07 -3.03 0.00 0.00 0.48 0.00 0.00 55.95 53.48 1f55 s SER 42 Cb -0.01 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.12 1f55 s SER 42 CO -0.05 -0.39 0.00 -0.81 0.98 0.00 0.00 173.24 172.97 1f55 n PRO 43 N 3.35 0.00 0.00 4.02 -0.04 -1.26 -5.03 135.00 136.04 1f55 n PRO 43 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1f55 n PRO 43 Cb 0.40 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.68 1f55 n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1f55 n SER 44 N -0.00 0.00 -0.27 3.54 3.41 -1.26 -4.98 113.62 114.06 1f55 n SER 44 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 1f55 n SER 44 Cb 0.00 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.22 1f55 n SER 44 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1f55 n GLU 45 N -0.14 -0.06 -0.06 4.33 0.28 -1.26 0.72 120.64 124.46 1f55 n GLU 45 Ca 0.00 1.15 -0.09 0.00 -0.16 0.00 0.00 57.16 58.06 1f55 n GLU 45 Cb 0.00 -1.87 -0.03 0.00 1.43 0.00 0.00 31.44 30.97 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 1.56 -0.32 0.00 -1.84 0.00 -1.98 0.70 119.26 117.38 1f55 h ALA 46 Ca 0.50 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.37 1f55 h ALA 46 Cb 1.10 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1f55 h ALA 46 CO -0.71 -0.78 -0.48 0.93 0.00 0.00 0.00 179.25 178.21 1f55 h GLU 47 N -0.34 0.00 0.13 0.00 5.08 -0.08 -2.35 114.58 117.02 1f55 h GLU 47 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1f55 h GLU 47 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1f55 h GLU 47 CO -0.45 0.48 -0.06 0.28 -1.00 0.00 0.00 179.01 178.25 1f55 h VAL 48 N 0.00 0.00 -0.91 3.13 2.07 0.15 -1.81 116.25 118.88 1f55 h VAL 48 Ca -0.00 -0.12 0.19 0.00 0.82 0.00 0.00 66.70 67.59 1f55 h VAL 48 Cb 1.10 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.80 1f55 h VAL 48 CO 0.06 0.00 0.59 -1.13 0.02 0.00 0.00 177.57 177.12 1f55 h ASN 49 N -0.29 0.47 -0.50 0.57 -0.73 0.21 0.11 115.58 115.42 1f55 h ASN 49 Ca -0.02 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 1f55 h ASN 49 Cb 0.14 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1f55 h ASN 49 CO 0.03 0.19 0.20 0.44 -0.37 0.00 0.00 177.43 177.92 1f55 h ASP 50 N 0.48 0.69 -0.08 1.15 3.32 -1.44 -2.12 116.42 118.42 1f55 h ASP 50 Ca 0.48 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 57.38 1f55 h ASP 50 Cb 1.08 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1f55 h ASP 50 CO -0.20 0.67 -0.05 0.25 -1.72 0.00 0.00 179.24 178.19 1f55 h LEU 51 N 0.66 -0.16 0.43 1.55 6.46 -0.07 0.25 115.31 124.43 1f55 h LEU 51 Ca 0.17 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1f55 h LEU 51 Cb 0.20 0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.19 1f55 h LEU 51 CO -0.01 -0.07 -0.40 -0.03 -0.62 0.00 0.00 178.44 177.30 1f55 h MET 52 N -0.05 -0.81 -0.66 1.25 4.05 -1.33 -2.53 114.93 114.85 1f55 h MET 52 Ca 0.05 0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.60 1f55 h MET 52 Cb 0.12 0.18 -0.06 0.00 -0.80 0.00 0.00 31.60 31.04 1f55 h MET 52 CO -0.11 -0.54 0.34 -0.97 0.23 0.00 0.00 176.91 175.86 1f55 h ASN 53 N -0.84 0.47 -0.63 1.39 -0.73 -1.22 0.10 115.58 114.11 1f55 h ASN 53 Ca -0.04 0.05 0.08 0.00 1.87 0.00 0.00 56.30 58.25 1f55 h ASN 53 Cb 0.74 -0.04 -0.10 0.00 0.27 0.00 0.00 38.32 39.19 1f55 h ASN 53 CO -0.05 0.29 -0.52 -0.33 -0.37 0.00 0.00 177.43 176.45 1f55 h GLU 54 N 0.61 -0.22 -0.01 6.67 4.39 -0.07 0.60 114.58 126.54 1f55 h GLU 54 Ca 0.31 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1f55 h GLU 54 Cb 0.27 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1f55 h GLU 54 CO -0.22 -0.15 0.00 0.44 -1.16 0.00 0.00 179.01 177.92 1f55 n ILE 55 N -5.36 0.01 -1.95 3.13 -5.35 -1.02 -4.87 119.36 103.95 1f55 n ILE 55 Ca 0.00 -0.11 -0.30 0.00 -0.27 0.00 0.00 62.75 62.07 1f55 n ILE 55 Cb 0.33 -0.06 0.03 0.00 -1.74 0.00 0.00 39.64 38.20 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 -1.96 5.79 0.00 7.28 2.15 0.21 -4.01 116.67 126.13 1f55 s ASP 56 Ca 0.42 1.20 0.00 0.00 0.43 0.00 0.00 52.55 54.60 1f55 s ASP 56 Cb 0.21 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.70 1f55 s ASP 56 CO 0.34 -1.11 0.00 1.33 -0.17 0.00 0.00 175.17 175.56 1f55 n VAL 57 N -2.85 0.00 0.74 1.11 0.24 -1.26 -4.78 118.33 111.53 1f55 n VAL 57 Ca 0.06 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 1f55 n VAL 57 Cb 0.56 -0.34 0.14 0.00 -1.47 0.00 0.00 33.84 32.73 1f55 n VAL 57 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1f55 n ASP 58 N -1.39 0.62 -2.84 -1.34 8.00 -1.26 -4.98 116.55 113.35 1f55 n ASP 58 Ca 0.00 -0.17 -0.12 0.00 0.71 0.00 0.00 54.79 55.22 1f55 n ASP 58 Cb 0.20 0.43 0.05 0.00 -0.02 0.00 0.00 41.12 41.79 1f55 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f55 n GLY 59 N 1.41 -0.67 1.77 0.44 0.00 -1.26 -4.96 105.19 101.92 1f55 n GLY 59 Ca 0.04 0.38 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.82 3.82 -0.63 1.61 6.94 -1.26 -4.91 115.26 118.00 1f55 n ASN 60 Ca -0.06 -3.58 -0.08 0.00 -0.02 0.00 0.00 54.58 50.84 1f55 n ASN 60 Cb 0.59 -0.39 -0.04 0.00 -2.36 0.00 0.00 39.78 37.59 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 -0.75 0.00 -3.63 -2.53 8.25 -1.26 -4.88 115.22 110.42 1f55 n HIS 61 Ca 0.34 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.76 1f55 n HIS 61 Cb 0.90 -2.38 -0.01 0.00 1.12 0.00 0.00 29.99 29.61 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 -2.57 0.77 0.12 -0.41 -2.07 -1.26 -3.63 119.66 110.61 1f55 s GLN 62 Ca 0.00 -0.37 0.01 0.00 -1.82 0.00 0.00 55.36 53.18 1f55 s GLN 62 Cb 0.00 0.30 -0.00 0.00 -1.09 0.00 0.00 33.01 32.21 1f55 s GLN 62 CO 0.00 -0.35 0.04 0.44 -1.32 0.00 0.00 175.29 174.11 1f55 n ILE 63 N -0.35 0.00 -4.25 3.63 -6.64 0.53 -4.69 119.36 107.60 1f55 n ILE 63 Ca -0.06 -0.71 -0.14 0.00 -1.77 0.00 0.00 62.75 60.07 1f55 n ILE 63 Cb 0.61 0.26 -0.10 0.00 -1.44 0.00 0.00 39.64 38.97 1f55 n ILE 63 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 1f55 s GLU 64 N -2.46 1.11 0.00 6.28 2.02 -1.26 -0.66 118.70 123.73 1f55 s GLU 64 Ca 0.06 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.52 1f55 s GLU 64 Cb 0.00 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 33.93 1f55 s GLU 64 CO 0.04 -0.11 0.83 0.34 0.02 0.00 0.00 175.26 176.38 1f55 n PHE 65 N -0.25 0.00 -0.25 1.61 7.35 -1.16 -0.78 117.46 123.99 1f55 n PHE 65 Ca -0.07 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.80 1f55 n PHE 65 Cb 0.63 -0.33 0.34 0.00 0.35 0.00 0.00 39.48 40.47 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 -2.13 0.09 -0.13 -2.13 7.64 -1.26 0.26 113.62 115.96 1f55 n SER 66 Ca 0.00 1.28 -0.09 0.00 1.01 0.00 0.00 58.87 61.07 1f55 n SER 66 Cb 0.00 -0.55 -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 -0.60 1.43 5.08 -1.24 -0.82 114.58 119.01 1f55 h GLU 67 Ca 0.56 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.90 1f55 h GLU 67 Cb 1.34 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1f55 h GLU 67 CO -0.65 0.53 0.40 0.35 -1.00 0.00 0.00 179.01 178.64 1f55 h PHE 68 N 0.49 0.51 0.20 4.33 3.57 0.55 -2.28 116.94 124.32 1f55 h PHE 68 Ca 0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1f55 h PHE 68 Cb 0.16 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1f55 h PHE 68 CO -0.01 0.26 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.17 1f55 h LEU 69 N 0.50 -0.23 -0.98 0.59 -0.00 -0.26 0.21 115.31 115.14 1f55 h LEU 69 Ca 0.27 -0.29 0.33 0.00 -0.00 0.00 0.00 57.88 58.18 1f55 h LEU 69 Cb 0.40 0.06 -0.16 0.00 -0.00 0.00 0.00 40.66 40.96 1f55 h LEU 69 CO -0.08 0.22 0.47 0.00 -0.00 0.00 0.00 178.44 179.05 1f55 h ALA 70 N -0.11 1.84 0.00 1.53 0.00 -0.63 1.01 119.26 122.90 1f55 h ALA 70 Ca -0.03 0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1f55 h ALA 70 Cb 0.50 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1f55 h ALA 70 CO 0.04 -0.64 -0.90 1.25 0.00 0.00 0.00 179.25 179.00 1f55 h LEU 71 N 0.21 0.00 0.00 0.00 6.46 -1.38 -3.40 115.31 117.19 1f55 h LEU 71 Ca 0.72 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.48 1f55 h LEU 71 Cb 1.68 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.61 1f55 h LEU 71 CO -0.67 0.45 0.00 0.23 -0.62 0.00 0.00 178.44 177.83 1f55 n MET 72 N -3.02 0.00 -1.52 1.25 2.81 0.34 -4.52 117.12 112.47 1f55 n MET 72 Ca -0.03 0.02 -0.33 0.00 -1.81 0.00 0.00 57.70 55.55 1f55 n MET 72 Cb 0.75 -0.75 -0.13 0.00 -0.71 0.00 0.00 33.22 32.37 1f55 n MET 72 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1f55 n SER 73 N -0.57 0.48 -4.58 7.83 7.64 -0.67 -4.84 113.62 118.91 1f55 n SER 73 Ca 0.00 -0.28 -0.43 0.00 1.01 0.00 0.00 58.87 59.17 1f55 n SER 73 Cb 0.00 -1.05 -0.04 0.00 -1.01 0.00 0.00 64.21 62.11 1f55 n SER 73 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1f55 s ARG 74 N 8.42 3.69 0.00 1.43 1.81 -1.26 -4.93 118.95 128.11 1f55 s ARG 74 Ca 1.23 0.35 0.00 0.00 -1.72 0.00 0.00 55.73 55.59 1f55 s ARG 74 Cb -0.84 -3.86 0.00 0.00 -0.45 0.00 0.00 34.95 29.81 1f55 s ARG 74 CO 0.42 -1.05 0.00 0.94 -0.68 0.00 0.00 175.30 174.93 1f55 n GLN 75 N 6.88 0.82 0.00 3.54 7.27 -1.26 -5.09 117.38 129.54 1f55 n GLN 75 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.13 1f55 n GLN 75 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 1f55 n GLN 75 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1f55 n LEU 76 N 0.00 0.00 0.00 1.69 4.77 -1.26 -5.27 117.00 116.93 1f55 n LEU 76 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1f55 n LEU 76 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1f55 n LEU 76 CO 0.00 -0.01 0.16 1.17 -1.33 0.00 0.00 177.39 177.38