#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe9 n ASN 2 N 0.00 -6.94 -0.80 4.04 2.85 -1.26 -4.85 115.26 108.30 2fe9 n ASN 2 Ca 0.00 -0.46 0.09 0.00 -0.11 0.00 0.00 54.58 54.10 2fe9 n ASN 2 Cb 0.00 -5.13 0.26 0.00 1.24 0.00 0.00 39.78 36.15 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2fe9 n SER 3 N -2.66 2.37 -4.73 1.20 7.64 -1.26 -4.45 113.62 111.73 2fe9 n SER 3 Ca -0.04 -1.90 -0.34 0.00 1.01 0.00 0.00 58.87 57.59 2fe9 n SER 3 Cb 0.57 -0.23 0.09 0.00 -1.01 0.00 0.00 64.21 63.63 2fe9 n SER 3 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2fe9 s SER 4 N -1.27 4.32 -0.62 6.43 0.15 -1.26 -4.53 113.70 116.93 2fe9 s SER 4 Ca 0.33 2.31 -0.28 0.00 0.70 0.00 0.00 55.95 59.01 2fe9 s SER 4 Cb 0.18 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2fe9 s SER 4 CO 0.24 -2.18 1.35 -0.04 1.20 0.00 0.00 173.24 173.82 2fe9 s MET 5 N -3.93 3.29 -0.45 5.44 -1.94 -1.26 -4.63 119.30 115.82 2fe9 s MET 5 Ca 0.73 0.23 -0.21 0.00 -1.71 0.00 0.00 55.69 54.73 2fe9 s MET 5 Cb -0.28 -4.13 0.03 0.00 2.01 0.00 0.00 34.83 32.46 2fe9 s MET 5 CO 0.45 -1.97 0.69 1.21 -0.01 0.00 0.00 175.02 175.38 2fe9 s ASN 6 N 4.08 6.34 0.63 3.03 3.84 -1.26 -4.93 114.94 126.67 2fe9 s ASN 6 Ca 0.46 -0.33 0.37 0.00 0.21 0.00 0.00 52.86 53.57 2fe9 s ASN 6 Cb -0.09 -2.34 2.07 0.00 -0.55 0.00 0.00 41.25 40.34 2fe9 s ASN 6 CO 0.22 -0.84 2.26 -0.65 -2.79 0.00 0.00 177.10 175.30 2fe9 h PRO 7 N 8.93 0.00 0.09 0.43 0.11 -1.96 0.20 132.00 139.81 2fe9 h PRO 7 Ca -0.25 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.72 2fe9 h PRO 7 Cb 1.09 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.22 2fe9 h PRO 7 CO 0.92 0.00 -0.60 0.87 -0.21 0.00 0.00 178.00 178.98 2fe9 h LYS 8 N 0.00 0.24 0.00 1.05 6.56 -1.94 -3.23 116.57 119.25 2fe9 h LYS 8 Ca 0.01 -0.39 -0.01 0.00 -1.06 0.00 0.00 60.65 59.21 2fe9 h LYS 8 Cb 0.14 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 2fe9 h LYS 8 CO -0.00 1.16 -0.03 1.03 -2.06 0.00 0.00 179.45 179.55 2fe9 h SER 9 N -0.48 0.03 0.00 0.86 0.87 -1.81 -2.92 113.55 110.09 2fe9 h SER 9 Ca -0.10 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.60 2fe9 h SER 9 Cb 1.45 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 2fe9 h SER 9 CO 0.11 0.89 0.12 0.18 -0.53 0.00 0.00 176.83 177.60 2fe9 n LEU 10 N -4.65 0.33 -0.33 2.23 4.77 0.67 -0.68 117.00 119.34 2fe9 n LEU 10 Ca -0.10 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.55 2fe9 n LEU 10 Cb 0.43 -0.61 0.13 0.00 -2.33 0.00 0.00 43.42 41.05 2fe9 n LEU 10 CO 0.35 -0.71 0.45 0.35 -1.33 0.00 0.00 177.39 176.50 2fe9 n THR 11 N -1.94 1.61 -3.82 -5.08 -2.24 -1.22 -4.68 114.28 96.91 2fe9 n THR 11 Ca -0.01 -2.12 -0.36 0.00 -2.27 0.00 0.00 64.05 59.29 2fe9 n THR 11 Cb 0.14 -0.07 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 2fe9 n THR 11 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2fe9 s ASP 12 N -2.66 4.89 0.66 3.42 -1.08 0.15 -4.57 116.67 117.48 2fe9 s ASP 12 Ca 0.29 -0.72 0.10 0.00 -0.52 0.00 0.00 52.55 51.70 2fe9 s ASP 12 Cb 0.27 -1.82 0.53 0.00 -1.46 0.00 0.00 42.92 40.44 2fe9 s ASP 12 CO -0.01 -0.16 1.30 -0.65 0.52 0.00 0.00 175.17 176.17 2fe9 h PRO 13 N 8.17 0.00 -0.07 4.34 0.11 -1.90 0.14 132.00 142.79 2fe9 h PRO 13 Ca -0.32 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.80 2fe9 h PRO 13 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2fe9 h PRO 13 CO 0.59 0.00 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.14 2fe9 h LYS 14 N 0.00 -0.01 0.18 1.05 3.11 -1.93 0.27 116.57 119.24 2fe9 h LYS 14 Ca 0.01 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.54 2fe9 h LYS 14 Cb 1.59 0.00 0.03 0.00 -1.00 0.00 0.00 32.23 32.85 2fe9 h LYS 14 CO -0.00 -0.00 -1.34 -0.07 -2.81 0.00 0.00 179.45 175.22 2fe9 h LEU 15 N -0.01 0.81 -1.44 5.20 -0.00 -0.99 -2.96 115.31 115.93 2fe9 h LEU 15 Ca 0.03 -0.81 -0.02 0.00 -0.00 0.00 0.00 57.88 57.09 2fe9 h LEU 15 Cb 0.06 -0.26 -0.02 0.00 -0.00 0.00 0.00 40.66 40.44 2fe9 h LEU 15 CO -0.07 1.62 0.17 -0.07 -0.00 0.00 0.00 178.44 180.09 2fe9 h LEU 16 N 0.20 0.49 0.00 1.67 3.38 -1.31 -0.44 115.31 119.30 2fe9 h LEU 16 Ca -0.21 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 2fe9 h LEU 16 Cb 2.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2fe9 h LEU 16 CO 0.25 0.44 -0.59 0.11 0.09 0.00 0.00 178.44 178.74 2fe9 h LYS 17 N 0.55 0.00 -2.28 1.13 1.57 -0.55 -3.35 116.57 113.64 2fe9 h LYS 17 Ca 0.14 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.29 2fe9 h LYS 17 Cb 0.09 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.00 2fe9 h LYS 17 CO -0.02 0.50 -0.43 -1.71 -0.57 0.00 0.00 179.45 177.22 2fe9 n ASN 18 N -3.20 4.18 -0.32 0.86 5.15 -0.30 -4.95 115.26 116.68 2fe9 n ASN 18 Ca 0.01 -3.47 0.07 0.00 -0.60 0.00 0.00 54.58 50.59 2fe9 n ASN 18 Cb 0.75 -0.73 0.17 0.00 -0.53 0.00 0.00 39.78 39.44 2fe9 n ASN 18 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2fe9 h ILE 19 N 3.17 0.09 -0.90 -1.44 1.08 -1.37 0.66 117.51 118.80 2fe9 h ILE 19 Ca 0.20 -0.01 0.24 0.00 -0.39 0.00 0.00 64.86 64.90 2fe9 h ILE 19 Cb 0.64 0.08 -0.13 0.00 -3.07 0.00 0.00 36.82 34.33 2fe9 h ILE 19 CO 0.90 0.00 0.35 -0.65 -0.69 0.00 0.00 178.15 178.06 2fe9 h PRO 20 N 0.02 0.31 -0.26 2.37 0.11 -1.86 0.48 132.00 133.16 2fe9 h PRO 20 Ca 0.48 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.39 2fe9 h PRO 20 Cb 0.84 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2fe9 h PRO 20 CO -0.91 0.20 -0.58 1.98 -0.21 0.00 0.00 178.00 178.48 2fe9 h MET 21 N 0.32 0.84 -0.96 1.05 4.05 -0.05 -2.30 114.93 117.88 2fe9 h MET 21 Ca 0.58 -0.55 0.16 0.00 -0.28 0.00 0.00 59.70 59.60 2fe9 h MET 21 Cb 1.15 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.94 2fe9 h MET 21 CO -0.58 1.18 0.60 2.35 0.23 0.00 0.00 176.91 180.69 2fe9 h TRP 22 N 0.63 0.94 0.00 1.39 7.01 0.19 0.32 115.95 126.43 2fe9 h TRP 22 Ca 0.00 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.93 2fe9 h TRP 22 Cb 1.19 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 2fe9 h TRP 22 CO 0.07 0.30 -0.49 -0.07 -2.79 0.00 0.00 178.44 175.47 2fe9 h LEU 23 N 0.76 0.00 -0.73 0.65 3.38 -0.51 -3.19 115.31 115.66 2fe9 h LEU 23 Ca 0.50 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.55 2fe9 h LEU 23 Cb 0.77 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2fe9 h LEU 23 CO -0.27 0.49 0.40 0.50 0.09 0.00 0.00 178.44 179.65 2fe9 h LYS 24 N 0.00 0.68 0.00 1.13 3.11 0.20 0.88 116.57 122.58 2fe9 h LYS 24 Ca -0.00 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2fe9 h LYS 24 Cb 1.12 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 2fe9 h LYS 24 CO 0.06 0.45 0.00 0.43 -2.81 0.00 0.00 179.45 177.59 2fe9 n SER 25 N -4.79 0.00 -0.29 4.20 7.64 -1.10 -1.63 113.62 117.64 2fe9 n SER 25 Ca 0.11 0.36 0.04 0.00 1.01 0.00 0.00 58.87 60.38 2fe9 n SER 25 Cb 0.23 -0.43 0.03 0.00 -1.01 0.00 0.00 64.21 63.03 2fe9 n SER 25 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2fe9 n LEU 26 N -1.43 1.64 -0.42 -3.43 4.77 0.12 -4.19 117.00 114.07 2fe9 n LEU 26 Ca 0.05 -1.04 -0.05 0.00 -0.03 0.00 0.00 56.01 54.94 2fe9 n LEU 26 Cb 0.17 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2fe9 n LEU 26 CO 0.14 0.34 -0.05 0.54 -1.33 0.00 0.00 177.39 177.03 2fe9 n ARG 27 N 0.40 -1.57 -0.85 3.23 5.12 0.26 -4.66 116.66 118.59 2fe9 n ARG 27 Ca 0.04 0.64 0.07 0.00 -1.93 0.00 0.00 57.85 56.68 2fe9 n ARG 27 Cb 0.19 -4.92 0.40 0.00 -1.16 0.00 0.00 32.46 26.97 2fe9 n ARG 27 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2fe9 n LEU 28 N -0.62 5.57 0.06 0.55 4.77 0.38 -4.19 117.00 123.52 2fe9 n LEU 28 Ca -0.05 -2.89 0.05 0.00 -0.03 0.00 0.00 56.01 53.09 2fe9 n LEU 28 Cb 0.48 -0.67 0.26 0.00 -2.33 0.00 0.00 43.42 41.15 2fe9 n LEU 28 CO 0.08 0.65 0.66 0.00 -1.33 0.00 0.00 177.39 177.46 2fe9 n HIS 29 N 0.63 0.28 -0.00 -1.77 1.44 -1.18 0.19 115.22 114.81 2fe9 n HIS 29 Ca 0.27 0.14 0.02 0.00 -2.01 0.00 0.00 57.72 56.14 2fe9 n HIS 29 Cb 1.16 -0.72 0.37 0.00 0.12 0.00 0.00 29.99 30.91 2fe9 n HIS 29 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 2fe9 h LYS 30 N 0.00 0.54 -0.58 -1.40 2.10 -1.91 -0.43 116.57 114.89 2fe9 h LYS 30 Ca 0.00 -0.07 -0.15 0.00 -2.00 0.00 0.00 60.65 58.44 2fe9 h LYS 30 Cb 0.07 -0.10 -0.09 0.00 -0.90 0.00 0.00 32.23 31.21 2fe9 h LYS 30 CO 0.00 0.45 0.15 0.66 -2.00 0.00 0.00 179.45 178.71 2fe9 n TYR 31 N -4.39 1.97 0.06 0.07 4.01 0.13 -4.59 117.16 114.42 2fe9 n TYR 31 Ca 0.02 -1.13 -0.13 0.00 -0.16 0.00 0.00 57.90 56.51 2fe9 n TYR 31 Cb 0.14 -0.58 -0.08 0.00 -0.31 0.00 0.00 39.34 38.52 2fe9 n TYR 31 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2fe9 h SER 32 N 2.46 -0.07 -0.94 7.72 0.87 -0.95 0.24 113.55 122.88 2fe9 h SER 32 Ca 0.18 -0.11 0.13 0.00 -1.23 0.00 0.00 61.79 60.76 2fe9 h SER 32 Cb 2.05 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 63.95 2fe9 h SER 32 CO 0.57 0.07 0.60 0.44 -0.53 0.00 0.00 176.83 177.98 2fe9 h ASP 33 N -0.21 0.77 1.21 6.23 5.19 -1.81 2.15 116.42 129.96 2fe9 h ASP 33 Ca -0.01 0.04 -0.16 0.00 -0.62 0.00 0.00 57.03 56.29 2fe9 h ASP 33 Cb 0.18 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 2fe9 h ASP 33 CO 0.01 0.40 -0.74 0.00 -3.12 0.00 0.00 179.24 175.79 2fe9 h ALA 34 N 1.58 0.53 -0.02 3.45 0.00 -1.77 -3.32 119.26 119.71 2fe9 h ALA 34 Ca 0.47 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2fe9 h ALA 34 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2fe9 h ALA 34 CO -0.23 0.93 -0.14 1.28 0.00 0.00 0.00 179.25 181.09 2fe9 n LEU 35 N -3.31 2.04 -0.01 0.00 4.32 0.81 -4.52 117.00 116.33 2fe9 n LEU 35 Ca 0.01 -0.90 -0.16 0.00 -0.02 0.00 0.00 56.01 54.94 2fe9 n LEU 35 Cb 0.83 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.52 2fe9 n LEU 35 CO 0.44 0.37 0.34 0.77 -1.22 0.00 0.00 177.39 178.09 2fe9 h SER 36 N 2.59 0.37 0.00 -1.43 4.64 0.34 -3.05 113.55 117.02 2fe9 h SER 36 Ca 0.00 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 2fe9 h SER 36 Cb 0.62 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2fe9 h SER 36 CO 0.00 1.08 0.08 0.61 -0.87 0.00 0.00 176.83 177.73 2fe9 n GLY 37 N 1.02 -0.53 3.35 -0.77 0.00 -1.26 -4.34 105.19 102.66 2fe9 n GLY 37 Ca -0.10 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 2fe9 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fe9 s THR 38 N -3.03 3.12 1.19 2.61 2.01 -1.15 -5.12 115.64 115.26 2fe9 s THR 38 Ca -0.01 -0.62 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 2fe9 s THR 38 Cb 0.02 -2.35 0.28 0.00 0.01 0.00 0.00 72.50 70.46 2fe9 s THR 38 CO 0.05 0.50 1.08 -2.16 -0.69 0.00 0.00 174.62 173.40 2fe9 s PRO 39 N 0.70 -1.12 0.02 4.92 0.04 -1.26 -4.68 135.00 133.62 2fe9 s PRO 39 Ca -0.05 0.12 -0.22 0.00 0.04 0.00 0.00 61.00 60.88 2fe9 s PRO 39 Cb -0.15 -1.59 -0.16 0.00 0.04 0.00 0.00 34.50 32.63 2fe9 s PRO 39 CO 0.02 -3.68 1.33 0.11 0.04 0.00 0.00 177.00 174.82 2fe9 h TRP 40 N -2.56 0.26 -0.74 0.56 5.08 -1.94 0.47 115.95 117.08 2fe9 h TRP 40 Ca -0.48 -0.07 0.21 0.00 1.08 0.00 0.00 58.89 59.63 2fe9 h TRP 40 Cb 1.31 -0.06 -0.03 0.00 -3.00 0.00 0.00 29.16 27.38 2fe9 h TRP 40 CO -1.64 0.63 0.69 0.97 -1.28 0.00 0.00 178.44 177.80 2fe9 h ILE 41 N -0.18 0.33 0.02 0.12 6.09 -1.92 0.52 117.51 122.49 2fe9 h ILE 41 Ca 0.02 0.00 -0.38 0.00 -1.37 0.00 0.00 64.86 63.13 2fe9 h ILE 41 Cb 0.58 0.47 -0.06 0.00 0.47 0.00 0.00 36.82 38.28 2fe9 h ILE 41 CO 0.02 0.00 -2.34 -0.62 -3.07 0.00 0.00 178.15 172.14 2fe9 n GLU 42 N -3.79 0.67 0.32 2.19 -0.58 -1.11 -3.96 120.64 114.38 2fe9 n GLU 42 Ca 0.15 0.14 -0.18 0.00 -0.42 0.00 0.00 57.16 56.84 2fe9 n GLU 42 Cb 0.95 -1.57 -0.10 0.00 -0.57 0.00 0.00 31.44 30.16 2fe9 n GLU 42 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2fe9 h LEU 43 N 0.01 -1.31 -1.03 -4.62 7.12 0.31 0.19 115.31 115.99 2fe9 h LEU 43 Ca -0.53 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.58 2fe9 h LEU 43 Cb 2.01 0.42 0.00 0.00 -0.53 0.00 0.00 40.66 42.57 2fe9 h LEU 43 CO -0.02 -0.67 0.12 2.30 -0.13 0.00 0.00 178.44 180.03 2fe9 n ILE 44 N -5.57 0.98 0.51 4.05 -5.35 0.15 -0.19 119.36 113.94 2fe9 n ILE 44 Ca -0.12 0.71 0.10 0.00 -0.27 0.00 0.00 62.75 63.16 2fe9 n ILE 44 Cb 0.46 -1.71 -0.14 0.00 -1.74 0.00 0.00 39.64 36.52 2fe9 n ILE 44 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2fe9 n TYR 45 N -2.06 0.00 -0.10 4.28 4.02 -0.07 -4.54 117.16 118.69 2fe9 n TYR 45 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2fe9 n TYR 45 Cb 0.14 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 2fe9 n TYR 45 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2fe9 n LEU 46 N -1.85 0.00 -3.98 7.72 4.77 0.74 -5.06 117.00 119.33 2fe9 n LEU 46 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2fe9 n LEU 46 Cb 0.43 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2fe9 n LEU 46 CO 0.43 -1.02 0.23 -1.81 -1.33 0.00 0.00 177.39 173.89 2fe9 s ASP 47 N -1.84 0.09 0.18 -1.43 1.01 -1.26 -5.02 116.67 108.40 2fe9 s ASP 47 Ca 0.00 -1.03 -0.19 0.00 0.71 0.00 0.00 52.55 52.04 2fe9 s ASP 47 Cb 0.00 0.64 0.13 0.00 1.01 0.00 0.00 42.92 44.70 2fe9 s ASP 47 CO 0.00 -1.25 1.62 -2.24 0.21 0.00 0.00 175.17 173.51 2fe9 h ASP 48 N 2.18 -0.80 0.16 0.27 2.03 -1.94 -1.10 116.42 117.22 2fe9 h ASP 48 Ca -0.27 0.18 0.01 0.00 -0.73 0.00 0.00 57.03 56.22 2fe9 h ASP 48 Cb 1.25 0.43 -0.03 0.00 -0.83 0.00 0.00 39.33 40.14 2fe9 h ASP 48 CO 0.36 -0.25 -0.41 -0.08 -1.03 0.00 0.00 179.24 177.82 2fe9 h GLU 49 N -0.13 -0.61 -0.61 4.15 4.81 -1.95 -1.93 114.58 118.31 2fe9 h GLU 49 Ca 0.22 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.62 2fe9 h GLU 49 Cb 0.48 0.14 -0.12 0.00 0.63 0.00 0.00 28.75 29.88 2fe9 h GLU 49 CO -0.56 -0.41 -0.19 1.15 -0.73 0.00 0.00 179.01 178.27 2fe9 h THR 50 N -0.63 0.33 -0.92 0.32 2.02 -1.85 0.32 112.91 112.50 2fe9 h THR 50 Ca -0.01 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.35 2fe9 h THR 50 Cb 0.62 0.33 -0.11 0.00 -1.74 0.00 0.00 68.15 67.25 2fe9 h THR 50 CO -0.19 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 176.13 2fe9 h LEU 51 N -0.04 0.58 -0.68 2.58 3.38 -0.88 0.49 115.31 120.74 2fe9 h LEU 51 Ca 0.29 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 2fe9 h LEU 51 Cb 0.48 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2fe9 h LEU 51 CO -0.64 0.18 0.20 -0.08 0.09 0.00 0.00 178.44 178.19 2fe9 h GLU 52 N 0.62 1.06 -0.43 1.13 4.81 0.35 0.50 114.58 122.61 2fe9 h GLU 52 Ca 0.53 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2fe9 h GLU 52 Cb 0.86 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 2fe9 h GLU 52 CO -0.41 0.93 0.28 0.87 -0.73 0.00 0.00 179.01 179.94 2fe9 h LYS 53 N 1.00 0.57 0.19 1.92 1.79 0.16 -2.95 116.57 119.25 2fe9 h LYS 53 Ca 0.22 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 2fe9 h LYS 53 Cb 0.32 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2fe9 h LYS 53 CO -0.00 0.39 -0.09 0.87 -1.08 0.00 0.00 179.45 179.53 2fe9 h LYS 54 N 0.59 -0.24 0.00 3.15 1.79 -0.37 -3.48 116.57 118.01 2fe9 h LYS 54 Ca 0.16 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2fe9 h LYS 54 Cb -0.05 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2fe9 h LYS 54 CO -0.03 0.14 0.00 0.41 -1.08 0.00 0.00 179.45 178.88 2fe9 n GLY 55 N 0.69 0.00 3.50 3.86 0.00 -0.39 -4.74 105.19 108.10 2fe9 n GLY 55 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2fe9 n GLY 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2fe9 n VAL 56 N 0.00 1.76 0.17 1.61 0.31 0.16 -4.65 118.33 117.69 2fe9 n VAL 56 Ca 0.00 -1.78 0.05 0.00 -0.01 0.00 0.00 64.34 62.60 2fe9 n VAL 56 Cb 0.00 -2.18 0.10 0.00 -0.91 0.00 0.00 33.84 30.84 2fe9 n VAL 56 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2fe9 h LEU 57 N 17.35 0.00 -8.92 7.52 4.07 -1.80 -2.81 115.31 130.72 2fe9 h LEU 57 Ca 0.24 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.63 2fe9 h LEU 57 Cb 0.89 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 2fe9 h LEU 57 CO 1.36 0.36 1.43 0.00 -1.08 0.00 0.00 178.44 180.50 2fe9 s ALA 58 N -3.07 2.71 0.55 1.53 0.00 -1.26 -4.80 121.76 117.42 2fe9 s ALA 58 Ca 0.04 0.55 0.29 0.00 0.00 0.00 0.00 51.96 52.84 2fe9 s ALA 58 Cb 0.07 -4.07 1.46 0.00 0.00 0.00 0.00 23.12 20.58 2fe9 s ALA 58 CO 0.72 -2.84 1.93 -0.07 0.00 0.00 0.00 175.76 175.50 2fe9 h LEU 59 N 14.87 0.00 -0.04 0.00 -0.00 -1.99 0.28 115.31 128.43 2fe9 h LEU 59 Ca -0.38 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.25 2fe9 h LEU 59 Cb 1.22 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.89 2fe9 h LEU 59 CO 1.00 0.00 -1.00 1.23 -0.00 0.00 0.00 178.44 179.67 2fe9 h GLY 60 N 0.00 0.76 0.29 0.83 0.00 -1.97 -3.02 103.07 99.96 2fe9 h GLY 60 Ca 0.30 -1.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.32 2fe9 h GLY 60 CO -0.00 1.15 -0.06 0.00 0.00 0.00 0.00 176.54 177.63 2fe9 h ALA 61 N 0.46 -0.16 0.72 3.60 0.00 -0.93 -3.11 119.26 119.85 2fe9 h ALA 61 Ca -0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 2fe9 h ALA 61 Cb 1.65 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.51 2fe9 h ALA 61 CO 0.20 -0.23 -0.35 0.07 0.00 0.00 0.00 179.25 178.93 2fe9 h ARG 62 N -0.87 -0.94 -0.47 0.00 0.11 -1.08 0.62 114.38 111.76 2fe9 h ARG 62 Ca -0.02 0.06 0.14 0.00 0.10 0.00 0.00 59.98 60.27 2fe9 h ARG 62 Cb 0.55 0.21 -0.02 0.00 1.11 0.00 0.00 29.97 31.82 2fe9 h ARG 62 CO 0.03 -0.63 0.60 0.00 0.10 0.00 0.00 179.97 180.07 2fe9 h ARG 63 N -1.19 0.00 0.18 0.08 3.08 -1.72 0.47 114.38 115.28 2fe9 h ARG 63 Ca -0.10 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.66 2fe9 h ARG 63 Cb 0.75 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.83 2fe9 h ARG 63 CO 0.16 0.00 -1.23 -0.22 -1.07 0.00 0.00 179.97 177.61 2fe9 h LYS 64 N 0.00 0.52 -0.14 0.04 1.63 -1.38 -3.22 116.57 114.01 2fe9 h LYS 64 Ca 0.23 -0.80 0.04 0.00 -0.85 0.00 0.00 60.65 59.27 2fe9 h LYS 64 Cb 1.42 0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 33.33 2fe9 h LYS 64 CO -0.00 1.37 0.17 -0.07 -3.45 0.00 0.00 179.45 177.47 2fe9 h LEU 65 N 0.07 0.00 -2.59 5.20 3.38 0.23 0.21 115.31 121.81 2fe9 h LEU 65 Ca -0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2fe9 h LEU 65 Cb 1.94 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.69 2fe9 h LEU 65 CO 0.23 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.68 2fe9 h LEU 66 N 0.00 0.00 0.11 1.67 3.38 -1.46 0.17 115.31 119.18 2fe9 h LEU 66 Ca 0.07 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.74 2fe9 h LEU 66 Cb 0.41 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.18 2fe9 h LEU 66 CO -0.00 0.01 -1.26 0.50 0.09 0.00 0.00 178.44 177.79 2fe9 h LYS 67 N 0.00 0.57 0.00 1.13 3.64 -0.75 -3.08 116.57 118.08 2fe9 h LYS 67 Ca -0.00 -0.79 -0.05 0.00 -1.27 0.00 0.00 60.65 58.55 2fe9 h LYS 67 Cb 0.08 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2fe9 h LYS 67 CO 0.00 1.35 -0.22 0.00 -2.27 0.00 0.00 179.45 178.32 2fe9 h ALA 68 N 0.34 0.99 -0.30 5.00 0.00 -1.05 -2.93 119.26 121.32 2fe9 h ALA 68 Ca -0.18 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 2fe9 h ALA 68 Cb 1.93 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 2fe9 h ALA 68 CO 0.24 0.28 -0.46 0.74 0.00 0.00 0.00 179.25 180.04 2fe9 h PHE 69 N 0.00 1.03 -0.03 0.00 0.04 -0.74 -3.12 116.94 114.11 2fe9 h PHE 69 Ca -0.00 -0.35 -0.05 0.00 2.80 0.00 0.00 57.97 60.37 2fe9 h PHE 69 Cb 0.79 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.74 2fe9 h PHE 69 CO 0.00 1.16 -0.17 0.78 -0.60 0.00 0.00 178.31 179.48 2fe9 h GLY 70 N 0.61 0.19 0.58 -1.45 0.00 -1.45 -2.23 103.07 99.32 2fe9 h GLY 70 Ca 0.03 -0.27 0.14 0.00 0.00 0.00 0.00 47.33 47.23 2fe9 h GLY 70 CO 0.11 0.24 0.55 -2.22 0.00 0.00 0.00 176.54 175.22 2fe9 h ILE 71 N -0.43 0.83 -0.06 2.60 2.04 -1.63 0.62 117.51 121.48 2fe9 h ILE 71 Ca -0.01 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2fe9 h ILE 71 Cb 0.85 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2fe9 h ILE 71 CO 0.04 0.11 -0.12 0.58 0.00 0.00 0.00 178.15 178.76 2fe9 h VAL 72 N 0.61 1.41 0.06 1.67 2.07 -1.56 -3.05 116.25 117.46 2fe9 h VAL 72 Ca 0.42 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.56 2fe9 h VAL 72 Cb 0.75 2.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.67 2fe9 h VAL 72 CO -0.18 0.39 -0.26 0.40 0.02 0.00 0.00 177.57 177.95 2fe9 h ILE 73 N -0.29 0.43 -0.03 4.57 2.04 -0.58 0.11 117.51 123.75 2fe9 h ILE 73 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2fe9 h ILE 73 Cb 0.69 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 2fe9 h ILE 73 CO 0.03 0.00 -0.46 -0.78 0.00 0.00 0.00 178.15 176.94 2fe9 h ASP 74 N -0.43 -1.41 -0.83 1.72 3.58 -1.02 0.79 116.42 118.82 2fe9 h ASP 74 Ca 0.04 0.17 0.07 0.00 0.42 0.00 0.00 57.03 57.73 2fe9 h ASP 74 Cb 0.48 0.55 -0.06 0.00 1.72 0.00 0.00 39.33 42.02 2fe9 h ASP 74 CO -0.18 -0.47 0.50 1.88 -2.88 0.00 0.00 179.24 178.08 2fe9 h TYR 75 N -0.59 0.93 -0.86 0.28 -1.99 -1.41 0.73 116.97 114.06 2fe9 h TYR 75 Ca 0.04 0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.89 2fe9 h TYR 75 Cb 0.67 -0.29 -0.06 0.00 2.00 0.00 0.00 36.73 39.05 2fe9 h TYR 75 CO -0.47 0.45 0.56 -0.22 -0.00 0.00 0.00 178.16 178.48 2fe9 h LYS 76 N 0.90 0.85 0.00 4.88 3.64 0.51 0.18 116.57 127.53 2fe9 h LYS 76 Ca 0.37 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.55 2fe9 h LYS 76 Cb 0.21 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2fe9 h LYS 76 CO -0.19 0.56 -0.70 0.93 -2.27 0.00 0.00 179.45 177.78 2fe9 h GLU 77 N 0.88 0.00 -1.02 1.90 5.08 0.43 -3.26 114.58 118.59 2fe9 h GLU 77 Ca 0.39 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 58.08 2fe9 h GLU 77 Cb 0.35 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.29 2fe9 h GLU 77 CO -0.15 0.70 0.69 2.89 -1.00 0.00 0.00 179.01 182.14 2fe9 n ARG 78 N -3.56 2.80 -3.37 2.33 1.85 0.22 -4.89 116.66 112.04 2fe9 n ARG 78 Ca -0.00 -3.40 -0.23 0.00 -1.00 0.00 0.00 57.85 53.21 2fe9 n ARG 78 Cb 0.72 -2.29 -0.04 0.00 -1.05 0.00 0.00 32.46 29.80 2fe9 n ARG 78 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2fe9 n ASP 79 N -0.88 -1.27 0.02 2.89 5.75 -0.95 -4.75 116.55 117.36 2fe9 n ASP 79 Ca 0.60 -0.53 0.01 0.00 -0.01 0.00 0.00 54.79 54.86 2fe9 n ASP 79 Cb 0.68 -1.15 -0.09 0.00 -1.03 0.00 0.00 41.12 39.53 2fe9 n ASP 79 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2fe9 n LEU 80 N -2.96 0.70 -4.77 -2.12 4.32 0.43 -4.86 117.00 107.74 2fe9 n LEU 80 Ca 0.06 0.30 -0.37 0.00 -0.02 0.00 0.00 56.01 55.98 2fe9 n LEU 80 Cb 0.38 0.09 -0.06 0.00 -1.62 0.00 0.00 43.42 42.21 2fe9 n LEU 80 CO 0.52 0.13 0.08 -0.63 -1.22 0.00 0.00 177.39 176.28 2fe9 s ILE 81 N -2.98 5.18 0.26 -0.08 1.01 -1.22 -4.97 121.20 118.39 2fe9 s ILE 81 Ca -0.04 0.77 -0.31 0.00 0.00 0.00 0.00 60.65 61.07 2fe9 s ILE 81 Cb 0.09 -3.71 -0.12 0.00 0.01 0.00 0.00 42.46 38.73 2fe9 s ILE 81 CO 0.82 0.44 1.63 -0.67 0.00 0.00 0.00 174.94 177.16 2fe9 n ASP 82 N 2.95 3.83 0.09 3.58 -0.08 -1.26 -4.83 116.55 120.83 2fe9 n ASP 82 Ca -0.11 1.11 0.07 0.00 -1.51 0.00 0.00 54.79 54.35 2fe9 n ASP 82 Cb 0.52 -1.57 0.35 0.00 2.34 0.00 0.00 41.12 42.76 2fe9 n ASP 82 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2fe9 n ARG 83 N 2.81 0.09 -0.08 -0.67 5.12 -1.26 -1.36 116.66 121.31 2fe9 n ARG 83 Ca 0.12 0.55 -0.06 0.00 -1.93 0.00 0.00 57.85 56.53 2fe9 n ARG 83 Cb 0.35 -1.76 0.13 0.00 -1.16 0.00 0.00 32.46 30.03 2fe9 n ARG 83 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 2fe9 h SER 84 N 0.00 0.74 -0.66 0.55 0.02 -2.02 -2.82 113.55 109.35 2fe9 h SER 84 Ca 0.00 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2fe9 h SER 84 Cb 0.05 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 2fe9 h SER 84 CO 0.00 0.89 0.44 0.00 -1.14 0.00 0.00 176.83 177.01 2fe9 h ALA 85 N 1.18 0.84 0.00 3.77 0.00 -1.56 -3.50 119.26 120.00 2fe9 h ALA 85 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fe9 h ALA 85 Cb 0.60 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2fe9 h ALA 85 CO 0.04 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.22