#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 0.80 -4.14 -3.46 5.15 -1.26 -4.97 115.26 107.39 2fe9 n ASN 2 Ca 0.00 -2.34 -0.43 0.00 -0.60 0.00 0.00 54.58 51.21 2fe9 n ASN 2 Cb 0.00 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2fe9 n SER 3 N -0.16 4.91 -0.30 1.20 3.41 -1.26 -4.64 113.62 116.78 2fe9 n SER 3 Ca 0.06 -3.00 0.13 0.00 -0.26 0.00 0.00 58.87 55.80 2fe9 n SER 3 Cb 0.83 -1.58 0.59 0.00 -0.26 0.00 0.00 64.21 63.79 2fe9 n SER 3 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2fe9 n SER 4 N 5.48 0.91 -3.35 4.04 7.64 -1.26 -4.94 113.62 122.13 2fe9 n SER 4 Ca 0.42 -1.42 -0.17 0.00 1.01 0.00 0.00 58.87 58.71 2fe9 n SER 4 Cb 0.40 -0.03 0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2fe9 n SER 4 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2fe9 n MET 5 N -0.24 -1.81 -1.55 1.43 2.81 -1.26 -4.82 117.12 111.67 2fe9 n MET 5 Ca 0.18 0.85 -0.43 0.00 -1.81 0.00 0.00 57.70 56.50 2fe9 n MET 5 Cb 0.24 -5.27 -0.04 0.00 -0.71 0.00 0.00 33.22 27.44 2fe9 n MET 5 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2fe9 n ASN 6 N -2.84 2.71 0.00 7.83 4.13 -1.26 -4.80 115.26 121.03 2fe9 n ASN 6 Ca -0.07 0.08 0.03 0.00 1.68 0.00 0.00 54.58 56.30 2fe9 n ASN 6 Cb 0.60 -1.48 0.16 0.00 -1.54 0.00 0.00 39.78 37.51 2fe9 n ASN 6 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2fe9 n PRO 7 N 8.70 0.06 -0.03 3.52 -0.04 -1.26 -1.06 135.00 144.89 2fe9 n PRO 7 Ca 0.35 0.28 -0.16 0.00 -0.04 0.00 0.00 63.50 63.93 2fe9 n PRO 7 Cb 0.41 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 2fe9 n PRO 7 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2fe9 h LYS 8 N 0.00 0.10 0.07 0.54 6.56 -1.96 -3.27 116.57 118.61 2fe9 h LYS 8 Ca 0.00 -0.16 -0.28 0.00 -1.06 0.00 0.00 60.65 59.14 2fe9 h LYS 8 Cb 0.08 0.06 0.03 0.00 -0.57 0.00 0.00 32.23 31.83 2fe9 h LYS 8 CO 0.00 1.06 -1.14 0.77 -2.06 0.00 0.00 179.45 178.08 2fe9 h SER 9 N -0.78 0.89 0.10 0.86 0.02 -1.77 -3.00 113.55 109.87 2fe9 h SER 9 Ca -0.04 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 2fe9 h SER 9 Cb 1.19 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2fe9 h SER 9 CO 0.05 1.57 0.00 0.18 -1.14 0.00 0.00 176.83 177.49 2fe9 n LEU 10 N -3.84 0.00 -0.19 5.07 4.77 -0.23 -1.45 117.00 121.14 2fe9 n LEU 10 Ca -0.13 0.43 0.05 0.00 -0.03 0.00 0.00 56.01 56.33 2fe9 n LEU 10 Cb 0.94 -0.43 0.07 0.00 -2.33 0.00 0.00 43.42 41.66 2fe9 n LEU 10 CO 0.57 -0.38 0.43 0.35 -1.33 0.00 0.00 177.39 177.03 2fe9 n THR 11 N -1.43 1.00 -3.78 -5.08 -2.24 -1.20 -4.54 114.28 97.02 2fe9 n THR 11 Ca 0.01 -1.18 -0.37 0.00 -2.27 0.00 0.00 64.05 60.24 2fe9 n THR 11 Cb 0.04 0.20 -0.13 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.79 5.21 0.66 3.42 2.15 -0.53 -4.50 116.67 121.31 2fe9 s ASP 12 Ca 0.15 -1.10 0.09 0.00 0.43 0.00 0.00 52.55 52.12 2fe9 s ASP 12 Cb 0.13 -1.84 0.48 0.00 -0.30 0.00 0.00 42.92 41.38 2fe9 s ASP 12 CO 0.01 -0.30 1.27 -0.65 -0.17 0.00 0.00 175.17 175.34 2fe9 h PRO 13 N 8.19 0.00 0.24 4.34 0.11 -1.90 0.15 132.00 143.12 2fe9 h PRO 13 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 2fe9 h PRO 13 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2fe9 h PRO 13 CO 0.59 0.00 -0.14 -0.22 -0.21 0.00 0.00 178.00 178.03 2fe9 h LYS 14 N 0.00 -0.34 -0.02 1.05 3.11 -1.93 0.16 116.57 118.60 2fe9 h LYS 14 Ca 0.00 0.02 -0.05 0.00 -2.81 0.00 0.00 60.65 57.81 2fe9 h LYS 14 Cb 1.61 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.92 2fe9 h LYS 14 CO -0.00 -0.23 -0.20 -0.07 -2.81 0.00 0.00 179.45 176.14 2fe9 h LEU 15 N -0.36 0.21 -0.43 5.20 -0.00 -0.97 -2.85 115.31 116.12 2fe9 h LEU 15 Ca -0.03 -0.71 0.09 0.00 -0.00 0.00 0.00 57.88 57.23 2fe9 h LEU 15 Cb 0.29 -0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 40.80 2fe9 h LEU 15 CO 0.04 0.89 -0.14 -0.07 -0.00 0.00 0.00 178.44 179.15 2fe9 h LEU 16 N -0.44 -0.51 -1.48 1.67 3.38 -1.39 0.28 115.31 116.81 2fe9 h LEU 16 Ca -0.02 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 2fe9 h LEU 16 Cb 0.90 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2fe9 h LEU 16 CO 0.04 -0.18 -0.20 0.11 0.09 0.00 0.00 178.44 178.30 2fe9 h LYS 17 N -0.05 0.00 -2.39 1.13 1.57 -0.78 -3.23 116.57 112.83 2fe9 h LYS 17 Ca 0.21 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.32 2fe9 h LYS 17 Cb 0.37 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.30 2fe9 h LYS 17 CO -0.47 0.20 -0.12 -1.71 -0.57 0.00 0.00 179.45 176.78 2fe9 n ASN 18 N -3.57 4.87 -0.34 0.86 5.15 0.90 -4.93 115.26 118.20 2fe9 n ASN 18 Ca -0.01 -3.50 0.08 0.00 -0.60 0.00 0.00 54.58 50.54 2fe9 n ASN 18 Cb 0.35 -0.84 0.17 0.00 -0.53 0.00 0.00 39.78 38.93 2fe9 n ASN 18 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 2fe9 n ILE 19 N 0.69 -0.40 -0.24 -1.44 2.08 -0.77 0.87 119.36 120.14 2fe9 n ILE 19 Ca 0.31 2.17 0.03 0.00 0.56 0.00 0.00 62.75 65.82 2fe9 n ILE 19 Cb 0.37 -3.04 0.13 0.00 -0.75 0.00 0.00 39.64 36.35 2fe9 n ILE 19 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 2fe9 h PRO 20 N 0.00 0.08 -0.39 0.38 0.11 -1.83 0.27 132.00 130.61 2fe9 h PRO 20 Ca 0.49 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.48 2fe9 h PRO 20 Cb 0.82 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2fe9 h PRO 20 CO -0.96 0.05 -0.22 0.52 -0.21 0.00 0.00 178.00 177.18 2fe9 h MET 21 N 0.08 0.84 -0.94 1.05 2.86 0.21 -2.60 114.93 116.43 2fe9 h MET 21 Ca 0.38 -0.38 0.17 0.00 -2.06 0.00 0.00 59.70 57.81 2fe9 h MET 21 Cb 0.64 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.20 2fe9 h MET 21 CO -0.65 1.02 0.60 2.35 1.06 0.00 0.00 176.91 181.29 2fe9 h TRP 22 N 0.65 0.83 0.00 -0.22 7.01 0.18 0.25 115.95 124.65 2fe9 h TRP 22 Ca 0.08 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.01 2fe9 h TRP 22 Cb 0.79 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2fe9 h TRP 22 CO 0.06 0.25 -0.48 -0.07 -2.79 0.00 0.00 178.44 175.41 2fe9 h LEU 23 N 0.65 0.00 -0.83 0.65 3.38 -0.33 -3.17 115.31 115.66 2fe9 h LEU 23 Ca 0.50 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.56 2fe9 h LEU 23 Cb 0.90 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 2fe9 h LEU 23 CO -0.25 0.48 0.48 0.50 0.09 0.00 0.00 178.44 179.74 2fe9 h LYS 24 N 0.00 0.80 0.00 1.13 3.11 -0.13 0.52 116.57 122.00 2fe9 h LYS 24 Ca -0.00 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2fe9 h LYS 24 Cb 1.08 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 2fe9 h LYS 24 CO 0.06 0.53 0.00 0.43 -2.81 0.00 0.00 179.45 177.66 2fe9 n SER 25 N -4.72 0.59 -0.72 4.20 7.64 -1.18 -1.77 113.62 117.67 2fe9 n SER 25 Ca 0.13 0.63 0.07 0.00 1.01 0.00 0.00 58.87 60.72 2fe9 n SER 25 Cb 0.25 -0.76 0.21 0.00 -1.01 0.00 0.00 64.21 62.90 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 -2.14 3.40 -1.04 -3.43 4.77 0.14 -4.47 117.00 114.23 2fe9 n LEU 26 Ca 0.03 -2.67 -0.05 0.00 -0.03 0.00 0.00 56.01 53.28 2fe9 n LEU 26 Cb 0.25 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 2fe9 n LEU 26 CO 0.20 0.69 -0.05 -2.11 -1.33 0.00 0.00 177.39 174.79 2fe9 n ARG 27 N -0.27 -1.22 -0.77 3.23 -4.01 0.12 -4.52 116.66 109.22 2fe9 n ARG 27 Ca 0.17 0.31 0.03 0.00 -1.04 0.00 0.00 57.85 57.33 2fe9 n ARG 27 Cb 0.71 -4.30 0.31 0.00 -3.04 0.00 0.00 32.46 26.14 2fe9 n ARG 27 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 2fe9 n LEU 28 N -1.23 5.07 0.17 2.89 4.77 0.23 -4.36 117.00 124.54 2fe9 n LEU 28 Ca -0.05 -3.10 0.12 0.00 -0.03 0.00 0.00 56.01 52.94 2fe9 n LEU 28 Cb 0.18 -0.65 0.61 0.00 -2.33 0.00 0.00 43.42 41.24 2fe9 n LEU 28 CO 0.08 0.74 0.85 1.12 -1.33 0.00 0.00 177.39 178.84 2fe9 h HIS 29 N 2.66 0.00 -0.55 -1.77 2.07 -1.79 0.30 115.15 116.06 2fe9 h HIS 29 Ca 0.09 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.64 2fe9 h HIS 29 Cb 1.87 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.82 2fe9 h HIS 29 CO 0.93 0.00 0.37 1.57 -3.07 0.00 0.00 177.93 177.73 2fe9 h LYS 30 N 0.00 0.60 -0.46 5.12 2.10 -1.91 -0.20 116.57 121.83 2fe9 h LYS 30 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2fe9 h LYS 30 Cb 0.02 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.21 2fe9 h LYS 30 CO 0.00 0.40 0.00 0.66 -2.00 0.00 0.00 179.45 178.51 2fe9 n TYR 31 N -4.47 1.55 -0.16 0.07 4.01 0.10 -4.55 117.16 113.70 2fe9 n TYR 31 Ca 0.07 -0.77 -0.07 0.00 -0.16 0.00 0.00 57.90 56.97 2fe9 n TYR 31 Cb 0.16 -0.40 0.02 0.00 -0.31 0.00 0.00 39.34 38.81 2fe9 n TYR 31 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2fe9 h SER 32 N 3.12 0.53 -0.92 7.72 0.02 -0.91 0.31 113.55 123.42 2fe9 h SER 32 Ca 0.00 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2fe9 h SER 32 Cb 1.69 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 64.05 2fe9 h SER 32 CO 0.35 0.38 0.60 0.44 -1.14 0.00 0.00 176.83 177.46 2fe9 h ASP 33 N 0.63 0.99 1.50 3.07 5.19 -1.80 1.64 116.42 127.65 2fe9 h ASP 33 Ca 0.19 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.51 2fe9 h ASP 33 Cb -0.04 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 2fe9 h ASP 33 CO -0.06 0.68 -0.38 0.00 -3.12 0.00 0.00 179.24 176.36 2fe9 h ALA 34 N 1.38 0.78 -0.00 3.45 0.00 -1.71 -3.30 119.26 119.85 2fe9 h ALA 34 Ca 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2fe9 h ALA 34 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2fe9 h ALA 34 CO -0.12 0.48 -0.55 1.28 0.00 0.00 0.00 179.25 180.33 2fe9 n LEU 35 N -3.23 1.01 -0.06 0.00 4.32 0.11 -4.54 117.00 114.61 2fe9 n LEU 35 Ca 0.02 -0.60 -0.12 0.00 -0.02 0.00 0.00 56.01 55.29 2fe9 n LEU 35 Cb 0.66 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.40 2fe9 n LEU 35 CO 0.38 0.22 0.69 -1.28 -1.22 0.00 0.00 177.39 176.18 2fe9 h SER 36 N 0.63 0.37 0.00 -1.43 0.87 0.23 -2.61 113.55 111.61 2fe9 h SER 36 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2fe9 h SER 36 Cb 0.41 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2fe9 h SER 36 CO 0.00 0.67 0.22 0.61 -0.53 0.00 0.00 176.83 177.80 2fe9 n GLY 37 N -0.09 -0.60 3.33 5.77 0.00 -1.26 -4.29 105.19 108.05 2fe9 n GLY 37 Ca -0.05 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.22 2.87 1.24 2.61 2.01 -0.98 -5.13 115.64 115.03 2fe9 s THR 38 Ca -0.01 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 2fe9 s THR 38 Cb 0.03 -2.20 0.31 0.00 0.01 0.00 0.00 72.50 70.65 2fe9 s THR 38 CO 0.11 0.52 1.03 -0.81 -0.69 0.00 0.00 174.62 174.77 2fe9 n PRO 39 N 3.73 -3.38 -0.03 4.92 -0.04 -1.26 -4.68 135.00 134.26 2fe9 n PRO 39 Ca -0.18 -1.65 -0.13 0.00 -0.04 0.00 0.00 63.50 61.49 2fe9 n PRO 39 Cb 0.52 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 2fe9 n PRO 39 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2fe9 h TRP 40 N -2.85 0.06 -0.50 0.54 5.08 -1.94 0.37 115.95 116.70 2fe9 h TRP 40 Ca -0.40 -0.02 0.15 0.00 1.08 0.00 0.00 58.89 59.70 2fe9 h TRP 40 Cb 1.23 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.36 2fe9 h TRP 40 CO 0.00 0.66 0.59 0.97 -1.28 0.00 0.00 178.44 179.38 2fe9 h ILE 41 N -0.57 0.28 0.02 0.12 6.09 -1.90 0.57 117.51 122.13 2fe9 h ILE 41 Ca -0.00 0.00 -0.37 0.00 -1.37 0.00 0.00 64.86 63.12 2fe9 h ILE 41 Cb 0.66 0.52 -0.06 0.00 0.47 0.00 0.00 36.82 38.42 2fe9 h ILE 41 CO 0.01 0.00 -2.31 -0.62 -3.07 0.00 0.00 178.15 172.16 2fe9 n GLU 42 N -3.57 0.68 0.34 2.19 -0.58 -1.17 -3.98 120.64 114.55 2fe9 n GLU 42 Ca 0.10 0.14 -0.18 0.00 -0.42 0.00 0.00 57.16 56.80 2fe9 n GLU 42 Cb 0.78 -1.58 -0.09 0.00 -0.57 0.00 0.00 31.44 29.98 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 -1.15 -1.11 -4.62 7.12 0.30 0.64 115.31 116.50 2fe9 h LEU 43 Ca -0.52 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.57 2fe9 h LEU 43 Cb 2.02 0.36 0.00 0.00 -0.53 0.00 0.00 40.66 42.50 2fe9 h LEU 43 CO -0.02 -0.65 0.25 0.16 -0.13 0.00 0.00 178.44 178.06 2fe9 h ILE 44 N -1.01 0.00 0.00 4.05 3.07 -0.24 0.32 117.51 123.70 2fe9 h ILE 44 Ca -0.07 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.34 2fe9 h ILE 44 Cb 0.84 0.37 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 2fe9 h ILE 44 CO 0.03 0.00 -1.37 -1.22 -1.05 0.00 0.00 178.15 174.54 2fe9 n TYR 45 N -2.19 0.00 -0.09 0.16 4.02 -0.27 -4.50 117.16 114.28 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 0.28 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 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 -1.79 0.00 -3.97 7.72 4.77 0.11 -5.07 117.00 118.77 2fe9 n LEU 46 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2fe9 n LEU 46 Cb 0.40 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 2fe9 n LEU 46 CO 0.40 -1.13 0.25 -1.81 -1.33 0.00 0.00 177.39 173.78 2fe9 s ASP 47 N -1.87 -0.08 0.24 -1.43 1.01 -1.26 -5.00 116.67 108.27 2fe9 s ASP 47 Ca 0.00 -0.89 -0.08 0.00 0.71 0.00 0.00 52.55 52.29 2fe9 s ASP 47 Cb 0.00 0.63 0.41 0.00 1.01 0.00 0.00 42.92 44.97 2fe9 s ASP 47 CO 0.00 -1.21 1.65 -2.24 0.21 0.00 0.00 175.17 173.58 2fe9 h ASP 48 N 2.18 -0.26 0.17 0.27 2.03 -1.94 0.24 116.42 119.12 2fe9 h ASP 48 Ca -0.25 0.17 -0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2fe9 h ASP 48 Cb 1.25 0.30 -0.02 0.00 -0.83 0.00 0.00 39.33 40.03 2fe9 h ASP 48 CO 0.33 -0.14 -0.30 -0.08 -1.03 0.00 0.00 179.24 178.02 2fe9 h GLU 49 N 0.14 -0.49 -0.52 4.15 4.81 -1.96 -1.03 114.58 119.67 2fe9 h GLU 49 Ca 0.39 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.76 2fe9 h GLU 49 Cb 0.67 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 30.06 2fe9 h GLU 49 CO -0.60 -0.33 -0.17 1.15 -0.73 0.00 0.00 179.01 178.33 2fe9 h THR 50 N -0.51 0.41 -0.94 0.32 2.02 -1.76 0.19 112.91 112.64 2fe9 h THR 50 Ca -0.02 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.35 2fe9 h THR 50 Cb 0.48 0.41 -0.11 0.00 -1.74 0.00 0.00 68.15 67.19 2fe9 h THR 50 CO -0.11 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 176.24 2fe9 h LEU 51 N -0.04 0.63 -0.51 2.58 3.38 -0.71 0.48 115.31 121.12 2fe9 h LEU 51 Ca 0.25 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 2fe9 h LEU 51 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2fe9 h LEU 51 CO -0.56 0.21 0.17 -0.08 0.09 0.00 0.00 178.44 178.26 2fe9 h GLU 52 N 0.66 0.78 -0.51 1.13 4.81 0.66 0.45 114.58 122.56 2fe9 h GLU 52 Ca 0.55 -0.16 0.05 0.00 -0.13 0.00 0.00 59.36 59.67 2fe9 h GLU 52 Cb 0.87 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 2fe9 h GLU 52 CO -0.40 0.72 0.34 0.87 -0.73 0.00 0.00 179.01 179.81 2fe9 h LYS 53 N 0.69 0.46 0.18 1.92 1.79 0.15 -2.87 116.57 118.90 2fe9 h LYS 53 Ca 0.16 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2fe9 h LYS 53 Cb 0.26 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2fe9 h LYS 53 CO -0.01 0.31 -0.09 0.87 -1.08 0.00 0.00 179.45 179.45 2fe9 h LYS 54 N 0.48 -0.24 0.00 3.15 1.79 -0.43 -3.48 116.57 117.85 2fe9 h LYS 54 Ca 0.22 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 2fe9 h LYS 54 Cb 0.26 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 2fe9 h LYS 54 CO -0.06 0.08 0.00 0.41 -1.08 0.00 0.00 179.45 178.80 2fe9 n GLY 55 N 0.86 0.00 3.46 3.86 0.00 -0.47 -4.78 105.19 108.12 2fe9 n GLY 55 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 2.07 0.09 1.61 0.31 0.15 -4.66 118.33 117.90 2fe9 n VAL 56 Ca 0.00 -2.08 -0.11 0.00 -0.01 0.00 0.00 64.34 62.14 2fe9 n VAL 56 Cb 0.00 -2.22 -0.08 0.00 -0.91 0.00 0.00 33.84 30.62 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 16.35 0.28 -8.68 7.52 4.07 -1.80 -2.86 115.31 130.19 2fe9 h LEU 57 Ca 0.29 -0.27 -0.63 0.00 0.08 0.00 0.00 57.88 57.36 2fe9 h LEU 57 Cb 0.87 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 2fe9 h LEU 57 CO 1.42 1.15 1.47 0.00 -1.08 0.00 0.00 178.44 181.40 2fe9 n ALA 58 N -2.47 1.28 -0.06 1.53 0.00 -1.26 -4.76 120.51 114.77 2fe9 n ALA 58 Ca -0.05 -0.19 0.25 0.00 0.00 0.00 0.00 53.44 53.45 2fe9 n ALA 58 Cb 0.92 -2.71 0.72 0.00 0.00 0.00 0.00 19.45 18.38 2fe9 n ALA 58 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2fe9 h LEU 59 N 13.79 0.00 -0.01 0.00 -0.00 -1.99 0.33 115.31 127.43 2fe9 h LEU 59 Ca -0.31 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.34 2fe9 h LEU 59 Cb 1.29 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.97 2fe9 h LEU 59 CO 1.02 0.00 -0.87 1.23 -0.00 0.00 0.00 178.44 179.81 2fe9 h GLY 60 N 0.00 0.69 0.32 0.83 0.00 -1.97 -3.01 103.07 99.93 2fe9 h GLY 60 Ca 0.32 -1.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 2fe9 h GLY 60 CO -0.00 1.04 -0.04 0.00 0.00 0.00 0.00 176.54 177.54 2fe9 h ALA 61 N 0.39 -0.11 0.70 3.60 0.00 -0.84 -3.09 119.26 119.91 2fe9 h ALA 61 Ca -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2fe9 h ALA 61 Cb 1.54 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.38 2fe9 h ALA 61 CO 0.17 -0.22 -0.34 0.07 0.00 0.00 0.00 179.25 178.93 2fe9 h ARG 62 N -0.80 -0.91 -0.42 0.00 0.11 -1.05 -1.62 114.38 109.69 2fe9 h ARG 62 Ca -0.01 0.06 0.12 0.00 0.10 0.00 0.00 59.98 60.25 2fe9 h ARG 62 Cb 0.59 0.21 -0.02 0.00 1.11 0.00 0.00 29.97 31.86 2fe9 h ARG 62 CO 0.02 -0.61 0.61 0.00 0.10 0.00 0.00 179.97 180.09 2fe9 h ARG 63 N -1.25 0.00 0.05 0.08 3.08 -1.71 0.46 114.38 115.08 2fe9 h ARG 63 Ca -0.10 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.74 2fe9 h ARG 63 Cb 0.73 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.79 2fe9 h ARG 63 CO 0.16 0.00 -0.85 0.87 -1.07 0.00 0.00 179.97 179.08 2fe9 h LYS 64 N 0.00 0.49 -0.44 0.04 1.79 -1.39 -3.21 116.57 113.86 2fe9 h LYS 64 Ca 0.20 -0.59 0.13 0.00 -2.18 0.00 0.00 60.65 58.20 2fe9 h LYS 64 Cb 1.42 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 32.23 2fe9 h LYS 64 CO -0.00 1.23 0.32 -0.07 -1.08 0.00 0.00 179.45 179.85 2fe9 h LEU 65 N 0.02 0.00 -2.34 2.94 3.38 0.90 0.23 115.31 120.44 2fe9 h LEU 65 Ca -0.12 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2fe9 h LEU 65 Cb 1.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 2fe9 h LEU 65 CO 0.17 0.00 0.13 -0.07 0.09 0.00 0.00 178.44 178.75 2fe9 h LEU 66 N 0.00 0.00 0.09 1.67 3.38 -1.47 0.36 115.31 119.33 2fe9 h LEU 66 Ca 0.21 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.90 2fe9 h LEU 66 Cb 0.85 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.62 2fe9 h LEU 66 CO -0.00 0.00 -1.23 0.50 0.09 0.00 0.00 178.44 177.80 2fe9 h LYS 67 N 0.00 0.42 0.00 1.13 3.11 -0.70 -3.13 116.57 117.40 2fe9 h LYS 67 Ca 0.05 -0.62 -0.05 0.00 -2.81 0.00 0.00 60.65 57.22 2fe9 h LYS 67 Cb 0.31 0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 2fe9 h LYS 67 CO -0.00 1.27 -0.25 0.00 -2.81 0.00 0.00 179.45 177.66 2fe9 h ALA 68 N 0.48 0.98 -0.37 5.00 0.00 -0.64 -3.06 119.26 121.65 2fe9 h ALA 68 Ca -0.16 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 2fe9 h ALA 68 Cb 1.92 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2fe9 h ALA 68 CO 0.22 0.31 -0.34 0.74 0.00 0.00 0.00 179.25 180.18 2fe9 h PHE 69 N 0.00 1.06 -0.06 0.00 0.04 -0.41 -3.16 116.94 114.40 2fe9 h PHE 69 Ca -0.00 -0.31 -0.12 0.00 2.80 0.00 0.00 57.97 60.33 2fe9 h PHE 69 Cb 0.82 -0.23 0.01 0.00 2.20 0.00 0.00 35.95 38.75 2fe9 h PHE 69 CO 0.00 1.12 -0.44 0.78 -0.60 0.00 0.00 178.31 179.17 2fe9 h GLY 70 N 0.69 0.45 0.55 -1.45 0.00 -1.49 -2.87 103.07 98.95 2fe9 h GLY 70 Ca 0.06 -0.67 0.14 0.00 0.00 0.00 0.00 47.33 46.87 2fe9 h GLY 70 CO 0.09 0.59 0.57 -2.22 0.00 0.00 0.00 176.54 175.57 2fe9 h ILE 71 N -0.08 0.83 -0.21 2.60 2.04 -1.63 -0.42 117.51 120.65 2fe9 h ILE 71 Ca -0.04 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 2fe9 h ILE 71 Cb 1.11 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2fe9 h ILE 71 CO 0.09 0.12 -0.32 0.58 0.00 0.00 0.00 178.15 178.63 2fe9 h VAL 72 N 0.66 1.33 0.52 1.67 2.07 -1.58 -2.77 116.25 118.15 2fe9 h VAL 72 Ca 0.44 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 2fe9 h VAL 72 Cb 0.73 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2fe9 h VAL 72 CO -0.19 0.47 -0.29 0.40 0.02 0.00 0.00 177.57 177.98 2fe9 h ILE 73 N 0.27 0.40 0.28 4.57 2.04 -0.95 0.45 117.51 124.58 2fe9 h ILE 73 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2fe9 h ILE 73 Cb 0.90 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2fe9 h ILE 73 CO 0.07 0.00 -0.31 -0.78 0.00 0.00 0.00 178.15 177.13 2fe9 h ASP 74 N -0.76 -0.85 -0.50 1.72 1.82 -1.23 0.24 116.42 116.85 2fe9 h ASP 74 Ca -0.06 0.08 0.09 0.00 -0.39 0.00 0.00 57.03 56.74 2fe9 h ASP 74 Cb 0.60 0.29 -0.03 0.00 0.68 0.00 0.00 39.33 40.88 2fe9 h ASP 74 CO 0.08 -0.44 0.34 1.88 -1.61 0.00 0.00 179.24 179.50 2fe9 h TYR 75 N -0.64 0.33 -0.21 0.28 0.05 -1.49 0.45 116.97 115.75 2fe9 h TYR 75 Ca -0.01 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2fe9 h TYR 75 Cb 0.59 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 2fe9 h TYR 75 CO -0.20 0.17 0.08 -0.22 -1.05 0.00 0.00 178.16 176.93 2fe9 h LYS 76 N 0.32 0.31 0.00 4.88 3.64 -0.06 0.30 116.57 125.97 2fe9 h LYS 76 Ca 0.23 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2fe9 h LYS 76 Cb 0.49 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2fe9 h LYS 76 CO -0.05 0.38 0.00 0.93 -2.27 0.00 0.00 179.45 178.44 2fe9 h GLU 77 N 0.18 0.00 -0.66 1.90 4.39 0.26 -1.99 114.58 118.66 2fe9 h GLU 77 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2fe9 h GLU 77 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2fe9 h GLU 77 CO -0.01 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.38 2fe9 n ARG 78 N -2.55 3.47 -2.26 2.33 1.74 0.12 -4.90 116.66 114.61 2fe9 n ARG 78 Ca 0.01 -2.66 -0.21 0.00 -0.77 0.00 0.00 57.85 54.22 2fe9 n ARG 78 Cb 0.21 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 29.79 2fe9 n ARG 78 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2fe9 n ASP 79 N 1.10 -5.83 0.07 0.55 2.03 -0.75 -4.85 116.55 108.88 2fe9 n ASP 79 Ca 0.24 0.08 0.11 0.00 0.52 0.00 0.00 54.79 55.74 2fe9 n ASP 79 Cb 0.82 -4.90 0.02 0.00 -0.72 0.00 0.00 41.12 36.34 2fe9 n ASP 79 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2fe9 n LEU 80 N -2.90 0.70 -4.63 -2.67 4.32 0.99 -4.84 117.00 107.97 2fe9 n LEU 80 Ca -0.24 0.21 -0.35 0.00 -0.02 0.00 0.00 56.01 55.62 2fe9 n LEU 80 Cb 0.69 -0.09 -0.10 0.00 -1.62 0.00 0.00 43.42 42.30 2fe9 n LEU 80 CO 0.29 -0.10 -0.27 -0.63 -1.22 0.00 0.00 177.39 175.45 2fe9 s ILE 81 N -3.31 4.58 0.27 -0.08 1.01 -1.20 -4.92 121.20 117.55 2fe9 s ILE 81 Ca 0.01 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 2fe9 s ILE 81 Cb 0.12 -3.03 -0.11 0.00 0.01 0.00 0.00 42.46 39.45 2fe9 s ILE 81 CO 0.79 0.50 1.58 -0.62 0.00 0.00 0.00 174.94 177.19 2fe9 s ASP 82 N 0.08 6.43 0.22 3.58 2.15 -1.26 -4.84 116.67 123.03 2fe9 s ASP 82 Ca 0.04 2.88 0.17 0.00 0.43 0.00 0.00 52.55 56.06 2fe9 s ASP 82 Cb -0.12 -2.63 0.85 0.00 -0.30 0.00 0.00 42.92 40.72 2fe9 s ASP 82 CO 0.01 -0.88 1.51 0.54 -0.17 0.00 0.00 175.17 176.18 2fe9 n ARG 83 N 2.49 0.11 0.20 4.34 5.12 -1.26 -1.14 116.66 126.52 2fe9 n ARG 83 Ca 0.09 0.56 0.04 0.00 -1.93 0.00 0.00 57.85 56.61 2fe9 n ARG 83 Cb 0.38 -1.82 0.40 0.00 -1.16 0.00 0.00 32.46 30.26 2fe9 n ARG 83 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2fe9 h SER 84 N 0.00 0.00 -0.21 0.55 0.87 -2.02 -2.75 113.55 109.98 2fe9 h SER 84 Ca 0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 2fe9 h SER 84 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2fe9 h SER 84 CO 0.00 0.34 -0.39 0.00 -0.53 0.00 0.00 176.83 176.25 2fe9 h ALA 85 N 1.66 0.33 0.00 6.23 0.00 -1.48 -3.50 119.26 122.50 2fe9 h ALA 85 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2fe9 h ALA 85 Cb 0.64 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2fe9 h ALA 85 CO 0.04 0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.38