#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 0.00 -3.95 -3.46 2.85 -1.26 -4.99 115.26 104.45 2fe9 n ASN 2 Ca 0.00 0.05 -0.33 0.00 -0.11 0.00 0.00 54.58 54.19 2fe9 n ASN 2 Cb 0.00 -0.13 -0.00 0.00 1.24 0.00 0.00 39.78 40.89 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 2fe9 n SER 3 N -1.41 -2.52 -1.34 1.20 3.41 -1.26 -4.86 113.62 106.85 2fe9 n SER 3 Ca 0.00 -1.12 0.12 0.00 -0.26 0.00 0.00 58.87 57.61 2fe9 n SER 3 Cb 0.00 -2.62 0.31 0.00 -0.26 0.00 0.00 64.21 61.64 2fe9 n SER 3 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2fe9 n SER 4 N -2.68 3.92 -2.87 4.04 2.88 -1.26 -5.01 113.62 112.63 2fe9 n SER 4 Ca -0.20 -2.00 -0.06 0.00 -1.33 0.00 0.00 58.87 55.28 2fe9 n SER 4 Cb 0.63 -0.46 0.01 0.00 -0.75 0.00 0.00 64.21 63.63 2fe9 n SER 4 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2fe9 n MET 5 N 1.65 -2.69 -2.59 -1.46 2.81 -1.26 -4.89 117.12 108.69 2fe9 n MET 5 Ca 0.24 2.27 -0.43 0.00 -1.81 0.00 0.00 57.70 57.97 2fe9 n MET 5 Cb 0.62 -4.83 -0.02 0.00 -0.71 0.00 0.00 33.22 28.28 2fe9 n MET 5 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2fe9 s ASN 6 N -1.91 6.54 0.06 7.83 -0.87 -1.26 -4.88 114.94 120.45 2fe9 s ASN 6 Ca 0.12 0.30 0.05 0.00 -1.57 0.00 0.00 52.86 51.76 2fe9 s ASN 6 Cb -0.03 -2.55 0.28 0.00 -0.02 0.00 0.00 41.25 38.93 2fe9 s ASN 6 CO 0.71 -1.37 1.17 -2.65 -2.57 0.00 0.00 177.10 172.39 2fe9 n PRO 7 N 8.15 0.03 -0.07 -0.60 -0.02 -1.26 -0.64 135.00 140.59 2fe9 n PRO 7 Ca 0.10 0.51 -0.14 0.00 -2.02 0.00 0.00 63.50 61.95 2fe9 n PRO 7 Cb 0.49 -1.59 -0.13 0.00 -0.02 0.00 0.00 33.50 32.25 2fe9 n PRO 7 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2fe9 h LYS 8 N 0.00 0.00 0.05 -0.52 6.56 -1.96 -3.24 116.57 117.47 2fe9 h LYS 8 Ca 0.00 -0.01 -0.26 0.00 -1.06 0.00 0.00 60.65 59.32 2fe9 h LYS 8 Cb 0.02 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.70 2fe9 h LYS 8 CO 0.00 0.98 -1.09 0.77 -2.06 0.00 0.00 179.45 178.05 2fe9 h SER 9 N -0.97 0.66 0.24 0.86 0.02 -1.73 -2.92 113.55 109.72 2fe9 h SER 9 Ca -0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 2fe9 h SER 9 Cb 0.99 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2fe9 h SER 9 CO 0.00 1.39 0.00 0.18 -1.14 0.00 0.00 176.83 177.27 2fe9 n LEU 10 N -3.74 0.00 -0.23 5.07 4.77 0.19 -2.03 117.00 121.04 2fe9 n LEU 10 Ca -0.09 0.38 0.04 0.00 -0.03 0.00 0.00 56.01 56.31 2fe9 n LEU 10 Cb 0.91 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.68 2fe9 n LEU 10 CO 0.54 -0.27 0.41 0.35 -1.33 0.00 0.00 177.39 177.09 2fe9 n THR 11 N -1.38 0.88 -3.79 -5.08 -2.24 -1.19 -4.54 114.28 96.93 2fe9 n THR 11 Ca 0.03 -1.04 -0.37 0.00 -2.27 0.00 0.00 64.05 60.41 2fe9 n THR 11 Cb 0.09 0.24 -0.13 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.69 5.06 0.66 3.42 2.15 -0.86 -4.56 116.67 120.85 2fe9 s ASP 12 Ca 0.13 -0.91 0.11 0.00 0.43 0.00 0.00 52.55 52.31 2fe9 s ASP 12 Cb 0.12 -1.84 0.56 0.00 -0.30 0.00 0.00 42.92 41.46 2fe9 s ASP 12 CO 0.01 -0.23 1.30 -0.65 -0.17 0.00 0.00 175.17 175.43 2fe9 h PRO 13 N 8.18 0.00 0.30 4.34 0.11 -1.90 0.76 132.00 143.79 2fe9 h PRO 13 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2fe9 h PRO 13 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2fe9 h PRO 13 CO 0.59 0.00 -0.14 -0.22 -0.21 0.00 0.00 178.00 178.02 2fe9 h LYS 14 N 0.00 -0.38 -0.03 1.05 3.11 -1.93 0.31 116.57 118.70 2fe9 h LYS 14 Ca 0.04 0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.85 2fe9 h LYS 14 Cb 1.68 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 33.00 2fe9 h LYS 14 CO -0.00 -0.25 -0.22 -0.07 -2.81 0.00 0.00 179.45 176.10 2fe9 h LEU 15 N -0.40 0.25 -0.53 5.20 -0.00 -1.10 -2.82 115.31 115.91 2fe9 h LEU 15 Ca -0.04 -0.68 0.10 0.00 -0.00 0.00 0.00 57.88 57.26 2fe9 h LEU 15 Cb 0.31 -0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 40.81 2fe9 h LEU 15 CO 0.07 0.90 0.00 -0.07 -0.00 0.00 0.00 178.44 179.33 2fe9 h LEU 16 N -0.37 -0.22 -1.33 1.67 3.38 -1.45 0.33 115.31 117.31 2fe9 h LEU 16 Ca -0.02 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2fe9 h LEU 16 Cb 0.90 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2fe9 h LEU 16 CO 0.05 -0.08 -0.23 0.11 0.09 0.00 0.00 178.44 178.37 2fe9 h LYS 17 N 0.12 0.00 -2.36 1.13 1.57 -1.02 -3.24 116.57 112.76 2fe9 h LYS 17 Ca 0.27 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.39 2fe9 h LYS 17 Cb 0.41 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.34 2fe9 h LYS 17 CO -0.44 0.23 -0.17 -1.71 -0.57 0.00 0.00 179.45 176.79 2fe9 n ASN 18 N -3.53 4.83 -0.31 0.86 5.15 0.11 -4.94 115.26 117.42 2fe9 n ASN 18 Ca -0.01 -3.52 0.06 0.00 -0.60 0.00 0.00 54.58 50.51 2fe9 n ASN 18 Cb 0.39 -0.81 0.13 0.00 -0.53 0.00 0.00 39.78 38.95 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 0.58 -0.37 -0.17 -1.44 2.08 -0.71 0.81 119.36 120.15 2fe9 n ILE 19 Ca 0.31 1.99 -0.04 0.00 0.56 0.00 0.00 62.75 65.57 2fe9 n ILE 19 Cb 0.37 -2.77 0.02 0.00 -0.75 0.00 0.00 39.64 36.52 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 -0.11 -0.74 0.38 0.11 -1.83 0.45 132.00 130.25 2fe9 h PRO 20 Ca 0.43 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.53 2fe9 h PRO 20 Cb 0.66 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 2fe9 h PRO 20 CO -0.89 -0.07 0.42 1.98 -0.21 0.00 0.00 178.00 179.22 2fe9 h MET 21 N -0.12 1.03 -0.85 1.05 4.05 0.13 0.14 114.93 120.37 2fe9 h MET 21 Ca 0.24 -0.11 0.13 0.00 -0.28 0.00 0.00 59.70 59.68 2fe9 h MET 21 Cb 0.49 -0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 31.02 2fe9 h MET 21 CO -0.59 0.75 0.55 2.35 0.23 0.00 0.00 176.91 180.20 2fe9 h TRP 22 N 1.02 0.76 0.00 1.39 7.01 0.19 0.16 115.95 126.48 2fe9 h TRP 22 Ca 0.26 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 61.17 2fe9 h TRP 22 Cb 0.01 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 2fe9 h TRP 22 CO -0.00 0.30 -0.54 -0.07 -2.79 0.00 0.00 178.44 175.33 2fe9 h LEU 23 N 0.66 0.00 -0.70 0.65 3.38 0.11 -3.24 115.31 116.17 2fe9 h LEU 23 Ca 0.42 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.49 2fe9 h LEU 23 Cb 0.68 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.36 2fe9 h LEU 23 CO -0.18 0.54 0.33 0.11 0.09 0.00 0.00 178.44 179.34 2fe9 h LYS 24 N 0.00 0.55 0.00 1.13 6.56 0.12 0.59 116.57 125.52 2fe9 h LYS 24 Ca -0.01 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2fe9 h LYS 24 Cb 1.28 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 2fe9 h LYS 24 CO 0.07 0.36 0.00 0.45 -2.06 0.00 0.00 179.45 178.27 2fe9 n SER 25 N -4.89 0.00 -0.45 0.86 2.88 -1.13 -2.65 113.62 108.23 2fe9 n SER 25 Ca 0.11 0.33 0.06 0.00 -1.33 0.00 0.00 58.87 58.04 2fe9 n SER 25 Cb 0.29 -0.44 0.04 0.00 -0.75 0.00 0.00 64.21 63.35 2fe9 n SER 25 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2fe9 n LEU 26 N -1.44 1.91 -1.43 2.46 4.77 0.82 -4.46 117.00 119.63 2fe9 n LEU 26 Ca 0.08 -0.96 -0.18 0.00 -0.03 0.00 0.00 56.01 54.92 2fe9 n LEU 26 Cb 0.26 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.28 2fe9 n LEU 26 CO 0.21 0.36 -0.17 0.54 -1.33 0.00 0.00 177.39 177.00 2fe9 n ARG 27 N 0.55 -1.24 -0.38 3.23 5.12 0.17 -4.10 116.66 120.01 2fe9 n ARG 27 Ca 0.07 1.08 0.07 0.00 -1.93 0.00 0.00 57.85 57.14 2fe9 n ARG 27 Cb 0.30 -5.35 0.21 0.00 -1.16 0.00 0.00 32.46 26.45 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 -2.06 3.38 0.14 0.55 4.77 -0.33 -4.53 117.00 118.92 2fe9 n LEU 28 Ca -0.18 -3.18 0.10 0.00 -0.03 0.00 0.00 56.01 52.72 2fe9 n LEU 28 Cb 0.59 -0.52 0.52 0.00 -2.33 0.00 0.00 43.42 41.68 2fe9 n LEU 28 CO 0.26 0.79 0.80 0.00 -1.33 0.00 0.00 177.39 177.92 2fe9 n HIS 29 N -0.92 0.67 -0.30 -1.77 1.44 -1.19 -0.32 115.22 112.83 2fe9 n HIS 29 Ca 0.21 0.34 0.08 0.00 -2.01 0.00 0.00 57.72 56.34 2fe9 n HIS 29 Cb 0.82 -1.04 0.30 0.00 0.12 0.00 0.00 29.99 30.19 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 0.84 -0.74 -1.40 2.10 -1.91 0.14 116.57 115.60 2fe9 h LYS 30 Ca 0.00 -0.05 -0.31 0.00 -2.00 0.00 0.00 60.65 58.29 2fe9 h LYS 30 Cb 0.05 -0.19 -0.19 0.00 -0.90 0.00 0.00 32.23 31.00 2fe9 h LYS 30 CO 0.00 0.55 0.34 0.66 -2.00 0.00 0.00 179.45 179.00 2fe9 n TYR 31 N -4.56 2.36 -0.08 0.07 4.01 0.56 -4.59 117.16 114.93 2fe9 n TYR 31 Ca 0.17 -1.50 -0.10 0.00 -0.16 0.00 0.00 57.90 56.30 2fe9 n TYR 31 Cb 0.36 -0.73 -0.03 0.00 -0.31 0.00 0.00 39.34 38.63 2fe9 n TYR 31 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2fe9 h SER 32 N 1.69 0.38 -0.53 7.72 4.64 -0.68 0.15 113.55 126.92 2fe9 h SER 32 Ca 0.38 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 2fe9 h SER 32 Cb 2.37 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 64.33 2fe9 h SER 32 CO 0.79 0.48 0.20 0.44 -0.87 0.00 0.00 176.83 177.87 2fe9 h ASP 33 N 0.27 0.77 1.02 4.97 3.32 -1.81 1.37 116.42 126.33 2fe9 h ASP 33 Ca 0.09 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 2fe9 h ASP 33 Cb 0.23 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 2fe9 h ASP 33 CO -0.00 0.71 -0.68 0.00 -1.72 0.00 0.00 179.24 177.55 2fe9 h ALA 34 N 1.40 0.68 0.00 3.45 0.00 -1.79 -3.29 119.26 119.71 2fe9 h ALA 34 Ca 0.19 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2fe9 h ALA 34 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2fe9 h ALA 34 CO -0.01 0.85 -0.93 1.28 0.00 0.00 0.00 179.25 180.43 2fe9 n LEU 35 N -3.44 0.75 -0.11 0.00 4.32 0.49 -4.46 117.00 114.54 2fe9 n LEU 35 Ca 0.00 -0.45 -0.11 0.00 -0.02 0.00 0.00 56.01 55.43 2fe9 n LEU 35 Cb 0.74 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.52 2fe9 n LEU 35 CO 0.42 0.19 0.75 -1.28 -1.22 0.00 0.00 177.39 176.25 2fe9 h SER 36 N 0.00 0.61 0.00 -1.43 0.87 0.18 -2.36 113.55 111.42 2fe9 h SER 36 Ca 0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2fe9 h SER 36 Cb 0.46 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2fe9 h SER 36 CO 0.00 0.80 0.09 0.61 -0.53 0.00 0.00 176.83 177.80 2fe9 n GLY 37 N -0.26 -0.51 3.27 5.77 0.00 -1.26 -4.33 105.19 107.87 2fe9 n GLY 37 Ca -0.02 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.99 2.54 1.30 2.61 2.01 -0.89 -5.13 115.64 115.08 2fe9 s THR 38 Ca -0.00 -0.83 -0.22 0.00 0.31 0.00 0.00 61.69 60.95 2fe9 s THR 38 Cb 0.01 -2.04 0.33 0.00 0.01 0.00 0.00 72.50 70.81 2fe9 s THR 38 CO 0.04 0.53 1.02 -0.81 -0.69 0.00 0.00 174.62 174.71 2fe9 n PRO 39 N 3.82 -3.68 -0.03 4.92 -0.04 -1.26 -4.66 135.00 134.06 2fe9 n PRO 39 Ca -0.19 -1.66 -0.14 0.00 -0.04 0.00 0.00 63.50 61.48 2fe9 n PRO 39 Cb 0.52 -1.71 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 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 -3.01 0.16 -0.69 0.54 5.08 -1.94 0.39 115.95 116.48 2fe9 h TRP 40 Ca -0.41 -0.06 0.20 0.00 1.08 0.00 0.00 58.89 59.70 2fe9 h TRP 40 Cb 1.28 -0.03 -0.03 0.00 -3.00 0.00 0.00 29.16 27.38 2fe9 h TRP 40 CO 0.00 0.72 0.65 0.97 -1.28 0.00 0.00 178.44 179.50 2fe9 h ILE 41 N -0.44 0.34 0.02 0.12 6.09 -1.92 0.62 117.51 122.35 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 0.72 0.50 -0.06 0.00 0.47 0.00 0.00 36.82 38.45 2fe9 h ILE 41 CO 0.02 0.00 -2.29 -0.62 -3.07 0.00 0.00 178.15 172.19 2fe9 n GLU 42 N -3.78 0.68 0.33 2.19 -0.58 -1.16 -3.94 120.64 114.37 2fe9 n GLU 42 Ca 0.14 0.15 -0.18 0.00 -0.42 0.00 0.00 57.16 56.85 2fe9 n GLU 42 Cb 0.90 -1.58 -0.09 0.00 -0.57 0.00 0.00 31.44 30.09 2fe9 n GLU 42 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2fe9 h LEU 43 N 0.01 -1.15 -0.62 -4.62 -0.00 0.30 0.19 115.31 109.43 2fe9 h LEU 43 Ca -0.51 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2fe9 h LEU 43 Cb 2.02 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 43.04 2fe9 h LEU 43 CO -0.01 -0.63 0.09 2.30 -0.00 0.00 0.00 178.44 180.18 2fe9 n ILE 44 N -5.55 1.30 0.56 1.22 -5.35 0.18 -0.25 119.36 111.48 2fe9 n ILE 44 Ca -0.12 0.62 0.08 0.00 -0.27 0.00 0.00 62.75 63.06 2fe9 n ILE 44 Cb 0.44 -1.62 -0.10 0.00 -1.74 0.00 0.00 39.64 36.61 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 -1.80 0.00 -0.11 4.28 4.02 -0.21 -4.54 117.16 118.79 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 0.10 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 -1.58 0.00 -3.91 7.72 4.77 0.66 -5.06 117.00 119.60 2fe9 n LEU 46 Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 2fe9 n LEU 46 Cb 0.31 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 2fe9 n LEU 46 CO 0.34 -1.30 0.16 -1.81 -1.33 0.00 0.00 177.39 173.45 2fe9 s ASP 47 N -1.88 -0.11 0.30 -1.43 1.01 -1.26 -5.00 116.67 108.29 2fe9 s ASP 47 Ca 0.00 -0.77 0.06 0.00 0.71 0.00 0.00 52.55 52.55 2fe9 s ASP 47 Cb 0.00 0.55 0.79 0.00 1.01 0.00 0.00 42.92 45.27 2fe9 s ASP 47 CO 0.00 -1.06 1.70 -2.24 0.21 0.00 0.00 175.17 173.79 2fe9 h ASP 48 N 2.30 0.43 0.21 0.27 2.03 -1.94 -0.21 116.42 119.52 2fe9 h ASP 48 Ca -0.28 0.15 -0.01 0.00 -0.73 0.00 0.00 57.03 56.16 2fe9 h ASP 48 Cb 1.25 0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 2fe9 h ASP 48 CO 0.39 0.02 -0.10 -0.08 -1.03 0.00 0.00 179.24 178.44 2fe9 h GLU 49 N 0.45 -0.27 -0.37 4.15 4.81 -1.95 -2.62 114.58 118.78 2fe9 h GLU 49 Ca 0.59 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.88 2fe9 h GLU 49 Cb 1.13 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.53 2fe9 h GLU 49 CO -0.52 -0.03 0.12 1.15 -0.73 0.00 0.00 179.01 179.01 2fe9 h THR 50 N -0.48 0.89 -0.95 0.32 2.02 -1.64 -1.53 112.91 111.54 2fe9 h THR 50 Ca -0.03 -0.09 0.19 0.00 0.77 0.00 0.00 66.41 67.24 2fe9 h THR 50 Cb 0.36 0.59 -0.11 0.00 -1.74 0.00 0.00 68.15 67.26 2fe9 h THR 50 CO 0.05 0.05 0.54 -0.07 0.37 0.00 0.00 175.52 176.45 2fe9 h LEU 51 N 0.27 0.65 -0.45 2.58 3.38 -1.05 0.28 115.31 120.98 2fe9 h LEU 51 Ca 0.17 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2fe9 h LEU 51 Cb 0.15 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2fe9 h LEU 51 CO -0.18 0.22 0.25 -0.08 0.09 0.00 0.00 178.44 178.74 2fe9 h GLU 52 N 0.67 0.63 -0.54 1.13 4.81 -0.91 0.29 114.58 120.66 2fe9 h GLU 52 Ca 0.55 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.79 2fe9 h GLU 52 Cb 0.87 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2fe9 h GLU 52 CO -0.40 0.49 0.37 0.87 -0.73 0.00 0.00 179.01 179.61 2fe9 h LYS 53 N 0.59 0.38 0.23 1.92 1.79 0.15 -2.77 116.57 118.87 2fe9 h LYS 53 Ca 0.16 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2fe9 h LYS 53 Cb 0.05 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2fe9 h LYS 53 CO -0.03 0.25 -0.11 0.87 -1.08 0.00 0.00 179.45 179.35 2fe9 h LYS 54 N 0.39 -0.30 0.00 3.15 1.79 -0.43 -3.48 116.57 117.69 2fe9 h LYS 54 Ca 0.25 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 2fe9 h LYS 54 Cb 0.46 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2fe9 h LYS 54 CO -0.06 -0.01 0.00 0.41 -1.08 0.00 0.00 179.45 178.71 2fe9 n GLY 55 N 0.70 0.00 3.57 3.86 0.00 -0.37 -4.75 105.19 108.20 2fe9 n GLY 55 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 2fe9 n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fe9 s VAL 56 N 0.00 3.45 -0.44 1.61 1.01 0.90 -4.68 120.40 122.26 2fe9 s VAL 56 Ca 0.00 -0.65 0.23 0.00 0.00 0.00 0.00 61.98 61.56 2fe9 s VAL 56 Cb 0.00 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.21 2fe9 s VAL 56 CO 0.00 -0.86 1.33 -0.07 0.00 0.00 0.00 175.10 175.49 2fe9 h LEU 57 N 18.36 0.00 -8.89 3.92 4.07 -1.81 -2.74 115.31 128.22 2fe9 h LEU 57 Ca 0.16 -0.05 -0.57 0.00 0.08 0.00 0.00 57.88 57.49 2fe9 h LEU 57 Cb 0.97 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.67 2fe9 h LEU 57 CO 1.19 0.03 1.18 0.00 -1.08 0.00 0.00 178.44 179.76 2fe9 s ALA 58 N -3.25 3.02 0.55 1.53 0.00 -1.26 -4.83 121.76 117.52 2fe9 s ALA 58 Ca 0.04 0.19 0.29 0.00 0.00 0.00 0.00 51.96 52.49 2fe9 s ALA 58 Cb 0.10 -3.95 1.46 0.00 0.00 0.00 0.00 23.12 20.72 2fe9 s ALA 58 CO 0.72 -2.40 1.92 -0.07 0.00 0.00 0.00 175.76 175.93 2fe9 h LEU 59 N 12.79 0.00 -0.03 0.00 -0.00 -1.99 0.25 115.31 126.33 2fe9 h LEU 59 Ca -0.32 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.34 2fe9 h LEU 59 Cb 1.15 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2fe9 h LEU 59 CO 1.04 0.00 -0.86 1.23 -0.00 0.00 0.00 178.44 179.85 2fe9 h GLY 60 N 0.00 0.71 0.29 0.83 0.00 -1.98 -3.08 103.07 99.83 2fe9 h GLY 60 Ca 0.31 -1.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.46 2fe9 h GLY 60 CO -0.00 1.05 -0.04 0.00 0.00 0.00 0.00 176.54 177.54 2fe9 h ALA 61 N 0.41 -0.12 0.74 3.60 0.00 -1.01 -3.04 119.26 119.85 2fe9 h ALA 61 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2fe9 h ALA 61 Cb 1.52 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.37 2fe9 h ALA 61 CO 0.17 -0.21 -0.36 0.07 0.00 0.00 0.00 179.25 178.92 2fe9 h ARG 62 N -0.83 -0.96 -0.50 0.00 0.11 -1.05 -0.18 114.38 110.96 2fe9 h ARG 62 Ca -0.01 0.07 0.14 0.00 0.10 0.00 0.00 59.98 60.28 2fe9 h ARG 62 Cb 0.59 0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.87 2fe9 h ARG 62 CO 0.02 -0.64 0.61 0.00 0.10 0.00 0.00 179.97 180.06 2fe9 h ARG 63 N -1.16 0.00 0.11 0.08 3.08 -1.73 0.48 114.38 115.25 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 0.76 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.84 2fe9 h ARG 63 CO 0.17 0.00 -1.18 -0.22 -1.07 0.00 0.00 179.97 177.67 2fe9 h LYS 64 N 0.00 0.61 -0.13 0.04 3.64 -1.31 -3.19 116.57 116.23 2fe9 h LYS 64 Ca 0.24 -0.80 0.04 0.00 -1.27 0.00 0.00 60.65 58.85 2fe9 h LYS 64 Cb 1.45 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.53 2fe9 h LYS 64 CO -0.00 1.36 0.14 -0.07 -2.27 0.00 0.00 179.45 178.60 2fe9 h LEU 65 N 0.24 0.00 -2.46 5.20 3.38 0.18 0.15 115.31 122.00 2fe9 h LEU 65 Ca -0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2fe9 h LEU 65 Cb 1.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 2fe9 h LEU 65 CO 0.23 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.66 2fe9 h LEU 66 N 0.00 0.00 0.07 1.67 3.38 -1.46 1.00 115.31 119.97 2fe9 h LEU 66 Ca 0.06 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.75 2fe9 h LEU 66 Cb 0.33 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.10 2fe9 h LEU 66 CO -0.00 0.02 -1.21 0.50 0.09 0.00 0.00 178.44 177.85 2fe9 h LYS 67 N 0.00 0.44 -0.02 1.13 3.11 -0.86 -3.11 116.57 117.25 2fe9 h LYS 67 Ca -0.00 -0.62 -0.14 0.00 -2.81 0.00 0.00 60.65 57.07 2fe9 h LYS 67 Cb 0.14 0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 31.57 2fe9 h LYS 67 CO 0.00 1.27 -0.65 0.00 -2.81 0.00 0.00 179.45 177.26 2fe9 h ALA 68 N 0.48 0.87 -0.74 5.00 0.00 -1.16 -3.11 119.26 120.60 2fe9 h ALA 68 Ca -0.15 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 2fe9 h ALA 68 Cb 1.89 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 2fe9 h ALA 68 CO 0.21 0.79 0.31 0.74 0.00 0.00 0.00 179.25 181.31 2fe9 h PHE 69 N 0.07 1.10 -0.02 0.00 0.04 -0.88 -2.88 116.94 114.38 2fe9 h PHE 69 Ca -0.01 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 2fe9 h PHE 69 Cb 1.16 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.98 2fe9 h PHE 69 CO 0.01 0.82 -0.06 0.78 -0.60 0.00 0.00 178.31 179.26 2fe9 h GLY 70 N 1.11 0.08 0.66 -1.45 0.00 -1.50 -2.32 103.07 99.65 2fe9 h GLY 70 Ca 0.25 -0.10 0.14 0.00 0.00 0.00 0.00 47.33 47.62 2fe9 h GLY 70 CO -0.02 0.09 0.52 -2.22 0.00 0.00 0.00 176.54 174.91 2fe9 h ILE 71 N -0.55 0.82 -0.12 2.60 2.04 -1.55 0.12 117.51 120.88 2fe9 h ILE 71 Ca -0.00 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 2fe9 h ILE 71 Cb 0.71 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 2fe9 h ILE 71 CO 0.01 0.09 -0.20 0.58 0.00 0.00 0.00 178.15 178.64 2fe9 h VAL 72 N 0.52 1.38 0.48 1.67 2.07 -1.52 -2.92 116.25 117.93 2fe9 h VAL 72 Ca 0.39 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2fe9 h VAL 72 Cb 0.77 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 2fe9 h VAL 72 CO -0.14 0.42 -0.39 0.40 0.02 0.00 0.00 177.57 177.88 2fe9 h ILE 73 N -0.08 0.22 -0.16 4.57 2.04 -0.57 0.36 117.51 123.88 2fe9 h ILE 73 Ca 0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2fe9 h ILE 73 Cb 0.78 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 2fe9 h ILE 73 CO 0.05 0.00 -0.33 -0.78 0.00 0.00 0.00 178.15 177.08 2fe9 h ASP 74 N -0.86 -1.04 -0.10 1.72 1.82 -1.14 1.35 116.42 118.17 2fe9 h ASP 74 Ca -0.05 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 2fe9 h ASP 74 Cb 0.74 0.45 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 2fe9 h ASP 74 CO -0.01 -0.36 0.05 1.88 -1.61 0.00 0.00 179.24 179.19 2fe9 h TYR 75 N -0.39 0.17 -0.10 0.28 0.05 -1.43 0.42 116.97 115.98 2fe9 h TYR 75 Ca 0.10 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.75 2fe9 h TYR 75 Cb 0.55 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2fe9 h TYR 75 CO -0.43 0.14 -0.51 -0.22 -1.05 0.00 0.00 178.16 176.09 2fe9 h LYS 76 N 0.18 0.26 0.00 4.88 3.64 0.24 0.32 116.57 126.08 2fe9 h LYS 76 Ca 0.05 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.16 2fe9 h LYS 76 Cb 0.04 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2fe9 h LYS 76 CO -0.01 0.71 -0.56 0.93 -2.27 0.00 0.00 179.45 178.25 2fe9 h GLU 77 N 0.20 0.00 -0.54 1.90 5.08 0.47 -3.02 114.58 118.67 2fe9 h GLU 77 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2fe9 h GLU 77 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2fe9 h GLU 77 CO 0.08 0.56 0.00 0.54 -1.00 0.00 0.00 179.01 179.19 2fe9 n ARG 78 N -3.46 2.46 -2.06 2.33 1.74 0.12 -4.89 116.66 112.90 2fe9 n ARG 78 Ca 0.00 -1.72 -0.18 0.00 -0.77 0.00 0.00 57.85 55.18 2fe9 n ARG 78 Cb 0.67 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.46 30.53 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 0.69 -5.12 0.13 0.55 2.03 -1.08 -4.82 116.55 108.92 2fe9 n ASP 79 Ca 0.16 0.21 0.12 0.00 0.52 0.00 0.00 54.79 55.80 2fe9 n ASP 79 Cb 0.52 -4.39 0.27 0.00 -0.72 0.00 0.00 41.12 36.80 2fe9 n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2fe9 h LEU 80 N 0.00 0.00 -9.35 -2.67 4.07 -0.61 -3.44 115.31 103.31 2fe9 h LEU 80 Ca -0.41 -0.04 -0.63 0.00 0.08 0.00 0.00 57.88 56.88 2fe9 h LEU 80 Cb 1.27 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.90 2fe9 h LEU 80 CO 0.53 0.02 -0.51 -0.63 -1.08 0.00 0.00 178.44 176.76 2fe9 s ILE 81 N -3.16 5.22 0.19 1.22 1.01 -1.18 -4.98 121.20 119.52 2fe9 s ILE 81 Ca 0.08 0.11 -0.33 0.00 0.00 0.00 0.00 60.65 60.52 2fe9 s ILE 81 Cb 0.10 -3.33 -0.13 0.00 0.01 0.00 0.00 42.46 39.11 2fe9 s ILE 81 CO 0.65 0.52 1.61 -0.67 0.00 0.00 0.00 174.94 177.05 2fe9 n ASP 82 N 2.92 3.39 0.10 3.58 -0.08 -1.26 -4.81 116.55 120.39 2fe9 n ASP 82 Ca -0.18 1.08 0.07 0.00 -1.51 0.00 0.00 54.79 54.26 2fe9 n ASP 82 Cb 0.53 -1.48 0.37 0.00 2.34 0.00 0.00 41.12 42.88 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 3.44 0.09 -0.08 -0.67 5.12 -1.26 -1.04 116.66 122.25 2fe9 n ARG 83 Ca 0.16 0.58 -0.04 0.00 -1.93 0.00 0.00 57.85 56.62 2fe9 n ARG 83 Cb 0.31 -1.80 0.18 0.00 -1.16 0.00 0.00 32.46 29.99 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 0.70 -0.49 0.55 0.87 -2.02 -2.75 113.55 110.41 2fe9 h SER 84 Ca 0.00 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.35 2fe9 h SER 84 Cb 0.02 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2fe9 h SER 84 CO 0.00 0.79 0.17 0.00 -0.53 0.00 0.00 176.83 177.26 2fe9 h ALA 85 N 1.29 0.64 0.00 6.23 0.00 -1.43 -3.51 119.26 122.47 2fe9 h ALA 85 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2fe9 h ALA 85 Cb 0.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2fe9 h ALA 85 CO 0.02 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.20