#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 -4.76 -2.49 -3.46 7.64 -1.26 -4.99 113.62 104.30 1f55 n SER 2 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1f55 n SER 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1f55 n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1f55 n ASN 3 N -3.11 -4.69 -2.40 6.43 2.85 -1.26 -5.02 115.26 108.06 1f55 n ASN 3 Ca 0.00 1.59 -0.10 0.00 -0.11 0.00 0.00 54.58 55.96 1f55 n ASN 3 Cb 0.00 -5.14 -0.01 0.00 1.24 0.00 0.00 39.78 35.87 1f55 n ASN 3 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1f55 n LEU 4 N 1.81 0.00 0.00 1.20 -0.00 -1.26 -4.46 117.00 114.29 1f55 n LEU 4 Ca -0.22 -2.01 0.00 0.00 -0.00 0.00 0.00 56.01 53.78 1f55 n LEU 4 Cb 0.34 2.05 0.00 0.00 -0.00 0.00 0.00 43.42 45.81 1f55 n LEU 4 CO 0.21 -0.51 0.00 0.35 -0.00 0.00 0.00 177.39 177.44 1f55 n THR 5 N -0.41 0.00 -0.53 1.47 -2.24 -1.26 0.02 114.28 111.33 1f55 n THR 5 Ca -0.01 0.00 0.43 0.00 -2.27 0.00 0.00 64.05 62.20 1f55 n THR 5 Cb 0.42 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.36 1f55 n THR 5 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1f55 n GLU 6 N 14.00 -0.03 -0.04 -0.78 0.28 -1.26 0.13 120.64 132.95 1f55 n GLU 6 Ca 0.00 1.20 -0.12 0.00 -0.16 0.00 0.00 57.16 58.07 1f55 n GLU 6 Cb 0.00 -2.46 -0.07 0.00 1.43 0.00 0.00 31.44 30.34 1f55 n GLU 6 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1f55 h GLU 7 N 0.00 0.22 -0.12 3.44 5.08 -0.77 0.05 114.58 122.48 1f55 h GLU 7 Ca 0.89 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 59.11 1f55 h GLU 7 Cb 3.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 32.30 1f55 h GLU 7 CO -0.34 0.51 -0.14 -0.56 -1.00 0.00 0.00 179.01 177.48 1f55 h GLN 8 N -0.09 0.31 0.20 2.33 3.07 0.15 -2.74 115.11 118.33 1f55 h GLN 8 Ca 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 58.65 58.60 1f55 h GLN 8 Cb 0.42 0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.97 1f55 h GLN 8 CO 0.01 0.73 -0.34 0.82 0.09 0.00 0.00 178.83 180.14 1f55 h ILE 9 N -0.09 0.00 -0.86 1.86 2.04 -0.44 0.39 117.51 120.41 1f55 h ILE 9 Ca 0.02 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.07 1f55 h ILE 9 Cb 0.68 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.60 1f55 h ILE 9 CO 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.09 1f55 h ALA 10 N -1.05 0.78 -0.70 1.87 0.00 -1.05 0.83 119.26 119.94 1f55 h ALA 10 Ca -0.02 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1f55 h ALA 10 Cb 0.53 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1f55 h ALA 10 CO -0.12 -0.44 0.40 0.93 0.00 0.00 0.00 179.25 180.01 1f55 h GLU 11 N 0.03 0.96 0.14 0.00 4.39 -1.03 -2.86 114.58 116.22 1f55 h GLU 11 Ca 0.46 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 60.05 1f55 h GLU 11 Cb 0.80 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1f55 h GLU 11 CO -0.83 0.71 -0.07 0.74 -1.16 0.00 0.00 179.01 178.40 1f55 h PHE 12 N 0.95 -0.17 -0.93 4.33 0.04 0.48 -2.66 116.94 118.98 1f55 h PHE 12 Ca 0.25 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.15 1f55 h PHE 12 Cb 0.01 0.06 -0.15 0.00 2.20 0.00 0.00 35.95 38.08 1f55 h PHE 12 CO -0.01 0.05 -0.42 0.87 -0.60 0.00 0.00 178.31 178.20 1f55 h LYS 13 N -0.38 -0.03 -0.66 1.51 1.57 0.01 1.56 116.57 120.14 1f55 h LYS 13 Ca -0.02 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1f55 h LYS 13 Cb 0.30 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 1f55 h LYS 13 CO 0.03 -0.02 0.31 1.49 -0.57 0.00 0.00 179.45 180.69 1f55 h GLU 14 N -0.03 0.53 -0.19 3.15 4.81 -1.42 -1.67 114.58 119.76 1f55 h GLU 14 Ca 0.29 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1f55 h GLU 14 Cb 0.56 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1f55 h GLU 14 CO -0.93 0.35 0.02 0.00 -0.73 0.00 0.00 179.01 177.72 1f55 h ALA 15 N 1.41 0.25 -0.30 2.92 0.00 0.14 -2.83 119.26 120.85 1f55 h ALA 15 Ca 0.33 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1f55 h ALA 15 Cb 0.34 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 1f55 h ALA 15 CO -0.27 -0.07 -0.52 0.35 0.00 0.00 0.00 179.25 178.75 1f55 h PHE 16 N 0.11 -1.57 -0.70 0.00 3.57 0.26 0.50 116.94 119.11 1f55 h PHE 16 Ca 0.06 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.77 1f55 h PHE 16 Cb 0.33 0.72 -0.13 0.00 2.79 0.00 0.00 35.95 39.66 1f55 h PHE 16 CO 0.02 -0.47 -0.16 0.00 -2.23 0.00 0.00 178.31 175.47 1f55 h ALA 17 N -0.21 0.48 -0.98 2.41 0.00 -1.35 0.64 119.26 120.24 1f55 h ALA 17 Ca 0.06 0.27 0.31 0.00 0.00 0.00 0.00 54.91 55.55 1f55 h ALA 17 Cb 0.58 0.52 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1f55 h ALA 17 CO -0.51 -0.42 0.51 1.25 0.00 0.00 0.00 179.25 180.08 1f55 h LEU 18 N 0.01 0.42 -0.21 0.00 5.85 -0.66 1.31 115.31 122.03 1f55 h LEU 18 Ca 0.34 0.20 -0.22 0.00 0.84 0.00 0.00 57.88 59.04 1f55 h LEU 18 Cb 0.52 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1f55 h LEU 18 CO -0.71 -0.15 -0.91 -0.26 -0.34 0.00 0.00 178.44 176.07 1f55 h PHE 19 N 0.30 0.56 0.00 1.25 0.04 0.73 -3.14 116.94 116.68 1f55 h PHE 19 Ca 0.71 -0.30 -0.07 0.00 2.80 0.00 0.00 57.97 61.10 1f55 h PHE 19 Cb 1.60 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.67 1f55 h PHE 19 CO -0.06 1.11 -0.36 0.22 -0.60 0.00 0.00 178.31 178.63 1f55 h ASP 20 N 0.22 0.00 0.00 2.17 1.82 0.20 -0.12 116.42 120.71 1f55 h ASP 20 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 1f55 h ASP 20 Cb 1.54 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.55 1f55 h ASP 20 CO 0.15 0.36 0.00 0.29 -1.61 0.00 0.00 179.24 178.43 1f55 n LYS 21 N -3.35 -0.40 -0.48 0.28 4.76 0.38 -4.56 118.16 114.79 1f55 n LYS 21 Ca 0.01 0.10 -0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1f55 n LYS 21 Cb 0.57 -3.86 -0.00 0.00 -1.84 0.00 0.00 35.03 29.89 1f55 n LYS 21 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1f55 n ASP 22 N -0.20 -0.01 -3.90 4.39 5.68 -1.26 -4.99 116.55 116.26 1f55 n ASP 22 Ca 0.00 -0.95 -0.30 0.00 -0.50 0.00 0.00 54.79 53.03 1f55 n ASP 22 Cb 0.10 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 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 -1.55 -0.02 -1.12 3.02 -1.26 -4.71 115.26 109.62 1f55 n ASN 23 Ca -0.00 -0.76 0.02 0.00 -0.03 0.00 0.00 54.58 53.81 1f55 n ASN 23 Cb 0.47 -1.39 0.12 0.00 -0.61 0.00 0.00 39.78 38.37 1f55 n ASN 23 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1f55 n ASN 24 N -2.10 0.06 -0.62 6.41 4.05 -1.26 -4.82 115.26 116.98 1f55 n ASN 24 Ca 0.08 -1.88 -0.08 0.00 0.45 0.00 0.00 54.58 53.15 1f55 n ASN 24 Cb 0.45 -0.01 -0.03 0.00 1.23 0.00 0.00 39.78 41.42 1f55 n ASN 24 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1f55 n GLY 25 N 0.58 0.99 3.63 8.20 0.00 -1.26 -4.97 105.19 112.36 1f55 n GLY 25 Ca 0.03 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.82 -0.69 -0.05 1.61 0.15 -1.26 -4.08 113.70 106.56 1f55 s SER 26 Ca 0.00 1.32 0.04 0.00 0.70 0.00 0.00 55.95 58.01 1f55 s SER 26 Cb 0.00 1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 65.62 1f55 s SER 26 CO 0.00 -0.23 -0.15 -0.63 1.20 0.00 0.00 173.24 173.43 1f55 s ILE 27 N 0.41 2.98 0.23 6.45 1.01 0.12 -4.64 121.20 127.76 1f55 s ILE 27 Ca 0.00 -0.76 0.11 0.00 0.00 0.00 0.00 60.65 59.99 1f55 s ILE 27 Cb -0.05 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.22 1f55 s ILE 27 CO -0.01 0.59 -0.14 -0.55 0.00 0.00 0.00 174.94 174.82 1f55 s SER 28 N -0.74 3.94 0.42 3.58 0.15 -1.26 -1.85 113.70 117.95 1f55 s SER 28 Ca 0.11 -0.80 0.27 0.00 0.70 0.00 0.00 55.95 56.24 1f55 s SER 28 Cb -0.11 -0.52 1.36 0.00 -1.71 0.00 0.00 66.02 65.05 1f55 s SER 28 CO 0.00 0.06 1.63 -1.28 1.20 0.00 0.00 173.24 174.86 1f55 h SER 29 N 2.53 0.29 -0.12 5.45 0.87 -1.90 0.51 113.55 121.18 1f55 h SER 29 Ca -0.44 0.15 -0.13 0.00 -1.23 0.00 0.00 61.79 60.14 1f55 h SER 29 Cb 1.23 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1f55 h SER 29 CO 0.56 -0.18 -0.43 -1.28 -0.53 0.00 0.00 176.83 174.97 1f55 h SER 30 N 0.12 0.59 0.39 6.23 0.87 -1.94 -2.52 113.55 117.29 1f55 h SER 30 Ca 0.80 -0.61 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1f55 h SER 30 Cb 2.38 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 64.18 1f55 h SER 30 CO -0.46 1.10 -0.19 -0.33 -0.53 0.00 0.00 176.83 176.42 1f55 h GLU 31 N 0.11 -0.51 -0.78 2.24 5.08 -0.23 -1.08 114.58 119.42 1f55 h GLU 31 Ca -0.02 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.56 1f55 h GLU 31 Cb 1.06 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 1f55 h GLU 31 CO 0.09 -0.34 0.12 -0.07 -1.00 0.00 0.00 179.01 177.81 1f55 h LEU 32 N -0.54 -0.14 -2.47 1.33 3.38 -0.10 1.03 115.31 117.79 1f55 h LEU 32 Ca -0.05 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1f55 h LEU 32 Cb 0.40 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1f55 h LEU 32 CO 0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 178.44 178.47 1f55 h ALA 33 N 1.69 1.27 -0.06 1.53 0.00 -1.34 -2.59 119.26 119.76 1f55 h ALA 33 Ca 0.45 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1f55 h ALA 33 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1f55 h ALA 33 CO -0.61 0.03 -0.14 1.15 0.00 0.00 0.00 179.25 179.69 1f55 h THR 34 N 0.00 1.43 -0.82 0.00 2.02 0.25 0.33 112.91 116.12 1f55 h THR 34 Ca -0.00 -1.49 0.24 0.00 0.77 0.00 0.00 66.41 65.93 1f55 h THR 34 Cb 0.10 2.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 1f55 h THR 34 CO 0.00 0.41 0.95 1.62 0.37 0.00 0.00 175.52 178.87 1f55 h VAL 35 N -0.32 0.13 0.00 3.16 3.04 -1.17 -0.35 116.25 120.74 1f55 h VAL 35 Ca -0.00 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.45 1f55 h VAL 35 Cb 0.74 0.23 -0.04 0.00 -2.01 0.00 0.00 31.29 30.21 1f55 h VAL 35 CO 0.03 0.00 -1.89 0.23 -1.01 0.00 0.00 177.57 174.93 1f55 n MET 36 N -3.40 0.38 -0.30 4.17 2.81 -1.14 -4.57 117.12 115.07 1f55 n MET 36 Ca 0.18 0.10 0.05 0.00 -1.81 0.00 0.00 57.70 56.21 1f55 n MET 36 Cb 1.21 -1.27 0.19 0.00 -0.71 0.00 0.00 33.22 32.64 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 -0.09 0.74 -0.07 0.03 9.65 0.89 -1.83 114.38 123.69 1f55 h ARG 37 Ca -0.36 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.49 1f55 h ARG 37 Cb 1.51 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 1f55 h ARG 37 CO -0.09 0.49 -0.07 1.03 2.80 0.00 0.00 179.97 184.13 1f55 h SER 38 N 0.76 -0.25 0.03 -3.80 0.87 -1.35 0.64 113.55 110.45 1f55 h SER 38 Ca 0.43 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1f55 h SER 38 Cb 0.47 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1f55 h SER 38 CO -0.28 -0.05 0.00 -0.07 -0.53 0.00 0.00 176.83 175.90 1f55 h LEU 39 N -0.04 0.00 0.00 2.23 4.07 -1.77 -3.47 115.31 116.33 1f55 h LEU 39 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1f55 h LEU 39 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1f55 h LEU 39 CO -0.09 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.88 1f55 n GLY 40 N -1.15 1.02 3.23 0.83 0.00 0.22 -5.13 105.19 104.21 1f55 n GLY 40 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 0.00 -2.67 0.99 -0.00 -1.23 -3.75 117.00 110.34 1f55 n LEU 41 Ca 0.00 0.30 -0.04 0.00 -0.00 0.00 0.00 56.01 56.27 1f55 n LEU 41 Cb 0.00 -1.04 0.03 0.00 -0.00 0.00 0.00 43.42 42.41 1f55 n LEU 41 CO 0.00 -0.76 0.63 -0.24 -0.00 0.00 0.00 177.39 177.02 1f55 n SER 42 N -4.11 -1.28 -4.67 1.96 2.88 -1.26 -4.83 113.62 102.31 1f55 n SER 42 Ca 0.00 -1.85 -0.43 0.00 -1.33 0.00 0.00 58.87 55.27 1f55 n SER 42 Cb 0.13 1.07 -0.02 0.00 -0.75 0.00 0.00 64.21 64.63 1f55 n SER 42 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1f55 s PRO 43 N 0.06 4.24 0.56 -1.46 0.04 -1.26 -5.00 135.00 132.17 1f55 s PRO 43 Ca 0.10 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.80 1f55 s PRO 43 Cb 0.16 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 1f55 s PRO 43 CO -0.06 -0.69 1.04 -1.54 0.04 0.00 0.00 177.00 175.79 1f55 s SER 44 N 2.23 6.01 0.20 6.66 1.04 -1.26 -4.44 113.70 124.15 1f55 s SER 44 Ca 0.61 1.80 -0.04 0.00 0.48 0.00 0.00 55.95 58.79 1f55 s SER 44 Cb -0.26 -2.53 0.37 0.00 0.10 0.00 0.00 66.02 63.69 1f55 s SER 44 CO 0.21 -1.01 1.12 1.21 0.98 0.00 0.00 173.24 175.75 1f55 n GLU 45 N -1.76 -0.06 -0.27 4.02 4.07 -1.26 0.63 120.64 126.00 1f55 n GLU 45 Ca 0.09 1.11 -0.07 0.00 -0.06 0.00 0.00 57.16 58.22 1f55 n GLU 45 Cb 0.53 -1.68 -0.03 0.00 -0.06 0.00 0.00 31.44 30.20 1f55 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1f55 h ALA 46 N 1.43 -0.26 -0.05 4.31 0.00 -1.97 1.00 119.26 123.72 1f55 h ALA 46 Ca 0.36 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.35 1f55 h ALA 46 Cb 0.59 1.03 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1f55 h ALA 46 CO -0.73 -0.80 -0.23 0.93 0.00 0.00 0.00 179.25 178.42 1f55 h GLU 47 N -0.15 0.25 0.00 0.00 4.39 -0.14 -1.10 114.58 117.82 1f55 h GLU 47 Ca 0.21 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1f55 h GLU 47 Cb 0.55 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1f55 h GLU 47 CO -0.78 0.84 0.00 0.28 -1.16 0.00 0.00 179.01 178.19 1f55 n VAL 48 N -4.52 0.00 -0.32 3.13 0.31 0.40 -0.19 118.33 117.14 1f55 n VAL 48 Ca -0.08 1.48 0.13 0.00 -0.01 0.00 0.00 64.34 65.86 1f55 n VAL 48 Cb 0.45 -2.31 0.36 0.00 -0.91 0.00 0.00 33.84 31.44 1f55 n VAL 48 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1f55 h ASN 49 N 0.00 0.71 -0.01 4.52 -1.24 0.85 -1.11 115.58 119.30 1f55 h ASN 49 Ca 0.00 0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.10 1f55 h ASN 49 Cb 0.00 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1f55 h ASN 49 CO 0.00 0.30 -0.08 -0.78 -1.29 0.00 0.00 177.43 175.57 1f55 h ASP 50 N 0.72 -0.25 -0.33 1.15 3.58 -0.59 -0.45 116.42 120.25 1f55 h ASP 50 Ca 0.53 0.04 0.07 0.00 0.42 0.00 0.00 57.03 58.09 1f55 h ASP 50 Cb 0.87 0.11 -0.08 0.00 1.72 0.00 0.00 39.33 41.95 1f55 h ASP 50 CO -0.29 -0.12 -0.22 0.25 -2.88 0.00 0.00 179.24 175.97 1f55 h LEU 51 N -0.14 -0.72 -0.42 2.28 6.46 0.73 0.44 115.31 123.93 1f55 h LEU 51 Ca 0.04 0.15 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 1f55 h LEU 51 Cb 0.19 0.37 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 1f55 h LEU 51 CO -0.09 -0.25 0.17 -0.03 -0.62 0.00 0.00 178.44 177.62 1f55 h MET 52 N -0.18 0.34 -0.01 1.25 4.05 -1.20 -2.60 114.93 116.57 1f55 h MET 52 Ca 0.17 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1f55 h MET 52 Cb 0.44 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1f55 h MET 52 CO -0.44 0.22 0.01 -0.97 0.23 0.00 0.00 176.91 175.96 1f55 h ASN 53 N 0.35 0.02 -1.32 1.39 -0.73 0.27 1.15 115.58 116.70 1f55 h ASN 53 Ca 0.19 -0.07 0.42 0.00 1.87 0.00 0.00 56.30 58.71 1f55 h ASN 53 Cb 0.16 -0.00 -0.12 0.00 0.27 0.00 0.00 38.32 38.63 1f55 h ASN 53 CO -0.18 0.08 0.86 -0.33 -0.37 0.00 0.00 177.43 177.49 1f55 h GLU 54 N -0.05 0.11 0.00 6.67 4.39 0.20 0.46 114.58 126.36 1f55 h GLU 54 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1f55 h GLU 54 Cb 0.07 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1f55 h GLU 54 CO -0.00 0.07 -1.56 -0.89 -1.16 0.00 0.00 179.01 175.47 1f55 n ILE 55 N -4.63 0.00 -1.82 3.13 5.41 -0.87 -4.82 119.36 115.77 1f55 n ILE 55 Ca 0.36 -0.33 -0.21 0.00 1.00 0.00 0.00 62.75 63.57 1f55 n ILE 55 Cb 1.40 0.31 -0.07 0.00 -0.71 0.00 0.00 39.64 40.56 1f55 n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1f55 s ASP 56 N -3.67 4.37 0.36 4.38 -1.08 0.39 -4.67 116.67 116.75 1f55 s ASP 56 Ca -0.03 -0.77 0.05 0.00 -0.52 0.00 0.00 52.55 51.28 1f55 s ASP 56 Cb 0.11 -2.57 0.68 0.00 -1.46 0.00 0.00 42.92 39.68 1f55 s ASP 56 CO 0.71 -3.61 1.92 -0.37 0.52 0.00 0.00 175.17 174.35 1f55 h VAL 57 N 7.01 1.17 0.19 1.11 -1.51 -1.86 -2.88 116.25 119.48 1f55 h VAL 57 Ca 0.08 -0.64 -0.32 0.00 -1.23 0.00 0.00 66.70 64.58 1f55 h VAL 57 Cb 0.99 0.86 0.02 0.00 -2.13 0.00 0.00 31.29 31.02 1f55 h VAL 57 CO 1.11 0.23 -1.49 0.44 -1.23 0.00 0.00 177.57 176.63 1f55 h ASP 58 N 0.50 0.62 -0.66 4.19 3.32 -1.88 -3.48 116.42 119.02 1f55 h ASP 58 Ca 0.11 -0.73 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1f55 h ASP 58 Cb 0.24 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1f55 h ASP 58 CO 0.00 1.59 0.00 0.61 -1.72 0.00 0.00 179.24 179.72 1f55 n GLY 59 N 1.69 0.62 1.25 2.75 0.00 -1.09 -5.01 105.19 105.40 1f55 n GLY 59 Ca -0.16 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.11 2.91 0.00 1.61 6.94 -1.26 -4.90 115.26 120.45 1f55 n ASN 60 Ca 0.00 -3.81 0.00 0.00 -0.02 0.00 0.00 54.58 50.75 1f55 n ASN 60 Cb 0.19 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 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 -1.06 0.00 -3.62 -2.53 8.25 -1.26 -4.91 115.22 110.09 1f55 n HIS 61 Ca 0.34 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.68 1f55 n HIS 61 Cb 0.95 -1.37 -0.05 0.00 1.12 0.00 0.00 29.99 30.64 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 -1.28 1.02 0.13 -0.41 -0.21 -1.26 -3.56 119.66 114.09 1f55 s GLN 62 Ca 0.00 -0.46 0.07 0.00 0.02 0.00 0.00 55.36 54.99 1f55 s GLN 62 Cb 0.00 0.46 -0.04 0.00 1.00 0.00 0.00 33.01 34.43 1f55 s GLN 62 CO 0.00 -0.38 -0.16 0.96 -2.12 0.00 0.00 175.29 173.59 1f55 s ILE 63 N -3.01 1.54 0.63 1.08 -5.25 -0.77 -4.64 121.20 110.79 1f55 s ILE 63 Ca -0.02 -1.74 0.08 0.00 -0.99 0.00 0.00 60.65 57.98 1f55 s ILE 63 Cb 0.00 -1.61 0.11 0.00 2.95 0.00 0.00 42.46 43.91 1f55 s ILE 63 CO -0.06 -0.32 0.87 -0.62 -1.79 0.00 0.00 174.94 173.02 1f55 n GLU 64 N 0.57 0.42 0.00 0.37 1.02 -1.26 0.12 120.64 121.88 1f55 n GLU 64 Ca -0.16 -3.12 0.00 0.00 -0.02 0.00 0.00 57.16 53.87 1f55 n GLU 64 Cb 0.56 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 1f55 n GLU 64 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1f55 n PHE 65 N -2.45 0.00 -0.24 -0.32 7.35 -1.26 -1.86 117.46 118.68 1f55 n PHE 65 Ca 0.17 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 57.08 1f55 n PHE 65 Cb 0.61 -0.34 0.41 0.00 0.35 0.00 0.00 39.48 40.51 1f55 n PHE 65 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1f55 n SER 66 N -1.65 0.21 -0.18 -2.13 3.41 -1.26 0.26 113.62 112.29 1f55 n SER 66 Ca 0.00 1.24 -0.08 0.00 -0.26 0.00 0.00 58.87 59.77 1f55 n SER 66 Cb 0.00 -0.58 0.01 0.00 -0.26 0.00 0.00 64.21 63.38 1f55 n SER 66 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1f55 h GLU 67 N 0.00 0.80 -0.37 4.33 5.08 -1.81 -1.71 114.58 120.90 1f55 h GLU 67 Ca 0.61 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 1f55 h GLU 67 Cb 1.58 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1f55 h GLU 67 CO -0.59 0.74 0.25 0.35 -1.00 0.00 0.00 179.01 178.76 1f55 h PHE 68 N 0.71 0.28 -0.11 4.33 3.57 0.44 -0.37 116.94 125.79 1f55 h PHE 68 Ca 0.17 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 1f55 h PHE 68 Cb 0.27 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1f55 h PHE 68 CO 0.01 0.16 -0.62 -0.07 -2.23 0.00 0.00 178.31 175.56 1f55 h LEU 69 N 0.29 0.45 -0.35 0.59 -0.00 -0.73 0.44 115.31 116.00 1f55 h LEU 69 Ca 0.16 -0.26 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1f55 h LEU 69 Cb 0.28 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.80 1f55 h LEU 69 CO -0.03 0.96 0.18 0.00 -0.00 0.00 0.00 178.44 179.54 1f55 h ALA 70 N 1.05 0.45 0.18 1.53 0.00 -0.37 -1.31 119.26 120.78 1f55 h ALA 70 Ca -0.01 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.48 1f55 h ALA 70 Cb 1.15 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1f55 h ALA 70 CO 0.11 -0.01 -1.64 -0.07 0.00 0.00 0.00 179.25 177.64 1f55 h LEU 71 N 0.43 0.59 0.00 0.00 -0.00 -1.46 -3.41 115.31 111.46 1f55 h LEU 71 Ca 0.12 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 1f55 h LEU 71 Cb 0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1f55 h LEU 71 CO -0.02 1.74 0.00 0.80 -0.00 0.00 0.00 178.44 180.96 1f55 n MET 72 N -3.69 0.00 -0.49 1.13 1.56 0.15 -4.80 117.12 110.99 1f55 n MET 72 Ca -0.24 0.20 -0.22 0.00 -0.27 0.00 0.00 57.70 57.17 1f55 n MET 72 Cb 1.04 -1.07 0.18 0.00 2.15 0.00 0.00 33.22 35.51 1f55 n MET 72 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1f55 n SER 73 N -1.09 -3.12 0.00 6.12 3.41 -0.50 -5.03 113.62 113.41 1f55 n SER 73 Ca 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1f55 n SER 73 Cb 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1f55 n SER 73 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1f55 n ARG 74 N -2.66 3.16 0.00 4.33 1.74 -1.26 -4.83 116.66 117.14 1f55 n ARG 74 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1f55 n ARG 74 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 1f55 n ARG 74 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1f55 n GLN 75 N 0.00 0.00 -1.75 5.56 7.27 -1.26 -5.04 117.38 122.16 1f55 n GLN 75 Ca 0.00 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.64 1f55 n GLN 75 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1f55 n GLN 75 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1f55 s LEU 76 N -2.41 3.46 0.00 1.69 2.96 -1.26 -5.27 118.68 117.85 1f55 s LEU 76 Ca 0.00 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 1f55 s LEU 76 Cb 0.00 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.23 1f55 s LEU 76 CO 0.00 -1.92 0.41 2.29 -1.32 0.00 0.00 176.35 175.81