#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 -0.03 0.00 -3.46 2.04 -1.26 -5.07 115.26 107.48 2fe9 n ASN 2 Ca 0.00 -0.89 0.00 0.00 -0.44 0.00 0.00 54.58 53.25 2fe9 n ASN 2 Cb 0.00 0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.26 2fe9 n ASN 2 CO 0.00 0.00 0.00 -0.24 -0.44 0.00 0.00 177.26 176.58 2fe9 n SER 3 N 0.00 0.00 -2.54 0.53 2.88 -1.26 -4.84 113.62 108.40 2fe9 n SER 3 Ca -0.01 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.48 2fe9 n SER 3 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.85 2fe9 n SER 3 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2fe9 n SER 4 N 1.89 -0.60 -4.55 -3.46 7.64 -1.26 -4.30 113.62 108.97 2fe9 n SER 4 Ca 0.00 1.28 -0.35 0.00 1.01 0.00 0.00 58.87 60.81 2fe9 n SER 4 Cb 0.00 -5.05 -0.04 0.00 -1.01 0.00 0.00 64.21 58.11 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 1.58 0.96 -2.75 1.43 2.81 -1.26 -4.79 117.12 115.10 2fe9 n MET 5 Ca -0.39 -0.06 -0.43 0.00 -1.81 0.00 0.00 57.70 55.01 2fe9 n MET 5 Cb 0.61 -3.38 -0.04 0.00 -0.71 0.00 0.00 33.22 29.71 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 12.02 6.39 0.42 7.83 -0.87 -1.26 -4.88 114.94 134.59 2fe9 s ASN 6 Ca 1.00 -0.17 0.28 0.00 -1.57 0.00 0.00 52.86 52.39 2fe9 s ASN 6 Cb -0.22 -2.48 1.51 0.00 -0.02 0.00 0.00 41.25 40.04 2fe9 s ASN 6 CO 0.26 -1.30 1.84 -0.65 -2.57 0.00 0.00 177.10 174.69 2fe9 h PRO 7 N 9.37 0.00 0.02 -0.60 0.11 -1.95 0.34 132.00 139.29 2fe9 h PRO 7 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 2fe9 h PRO 7 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2fe9 h PRO 7 CO 1.12 0.00 -0.01 1.57 -0.21 0.00 0.00 178.00 180.47 2fe9 h LYS 8 N 0.00 -0.03 -0.17 1.05 -0.00 -1.94 -3.29 116.57 112.19 2fe9 h LYS 8 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.65 60.61 2fe9 h LYS 8 Cb 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 32.28 2fe9 h LYS 8 CO 0.00 -0.02 -0.04 1.03 -0.00 0.00 0.00 179.45 180.42 2fe9 h SER 9 N -0.67 0.33 0.00 7.07 0.87 -1.87 -2.68 113.55 116.60 2fe9 h SER 9 Ca -0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2fe9 h SER 9 Cb 0.02 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2fe9 h SER 9 CO 0.00 0.63 0.12 0.18 -0.53 0.00 0.00 176.83 177.23 2fe9 n LEU 10 N -4.66 0.35 -0.46 2.23 4.77 0.12 -0.53 117.00 118.82 2fe9 n LEU 10 Ca -0.05 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.61 2fe9 n LEU 10 Cb 0.27 -0.63 0.15 0.00 -2.33 0.00 0.00 43.42 40.89 2fe9 n LEU 10 CO 0.37 -0.73 0.41 0.35 -1.33 0.00 0.00 177.39 176.46 2fe9 n THR 11 N -1.99 1.74 -3.80 -5.08 -2.24 -1.03 -4.76 114.28 97.12 2fe9 n THR 11 Ca -0.01 -2.44 -0.37 0.00 -2.27 0.00 0.00 64.05 58.96 2fe9 n THR 11 Cb 0.14 -0.08 -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 -2.83 5.01 0.65 3.42 -1.08 0.31 -4.56 116.67 117.58 2fe9 s ASP 12 Ca 0.33 -0.84 0.12 0.00 -0.52 0.00 0.00 52.55 51.64 2fe9 s ASP 12 Cb 0.31 -1.83 0.61 0.00 -1.46 0.00 0.00 42.92 40.55 2fe9 s ASP 12 CO -0.03 -0.21 1.33 -0.65 0.52 0.00 0.00 175.17 176.13 2fe9 h PRO 13 N 8.18 0.00 0.10 4.34 0.11 -1.90 0.81 132.00 143.64 2fe9 h PRO 13 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 2fe9 h PRO 13 Cb 1.11 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 -0.05 -0.22 -0.21 0.00 0.00 178.00 178.12 2fe9 h LYS 14 N 0.00 -0.13 -0.03 1.05 3.11 -1.93 0.09 116.57 118.73 2fe9 h LYS 14 Ca 0.05 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.79 2fe9 h LYS 14 Cb 1.66 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.92 2fe9 h LYS 14 CO -0.00 0.01 -0.41 -0.07 -2.81 0.00 0.00 179.45 176.17 2fe9 h LEU 15 N -0.24 0.41 -0.50 5.20 -0.00 -1.12 -3.00 115.31 116.06 2fe9 h LEU 15 Ca -0.01 -0.72 0.10 0.00 -0.00 0.00 0.00 57.88 57.24 2fe9 h LEU 15 Cb 0.20 -0.12 -0.09 0.00 -0.00 0.00 0.00 40.66 40.65 2fe9 h LEU 15 CO 0.02 1.07 -0.05 -0.07 -0.00 0.00 0.00 178.44 179.41 2fe9 h LEU 16 N -0.22 -0.32 -1.57 1.67 3.38 -1.39 0.35 115.31 117.21 2fe9 h LEU 16 Ca -0.04 0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2fe9 h LEU 16 Cb 1.11 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.11 2fe9 h LEU 16 CO 0.08 -0.12 -0.22 0.11 0.09 0.00 0.00 178.44 178.39 2fe9 h LYS 17 N 0.06 0.00 -2.39 1.13 1.57 -1.07 -3.19 116.57 112.68 2fe9 h LYS 17 Ca 0.25 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.36 2fe9 h LYS 17 Cb 0.38 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.32 2fe9 h LYS 17 CO -0.46 0.22 -0.11 -1.71 -0.57 0.00 0.00 179.45 176.81 2fe9 n ASN 18 N -3.77 4.89 -0.35 0.86 5.15 0.12 -4.94 115.26 117.22 2fe9 n ASN 18 Ca -0.02 -3.50 0.05 0.00 -0.60 0.00 0.00 54.58 50.51 2fe9 n ASN 18 Cb 0.32 -0.85 0.12 0.00 -0.53 0.00 0.00 39.78 38.84 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 -0.41 -0.26 -1.44 2.08 -0.75 0.78 119.36 120.05 2fe9 n ILE 19 Ca 0.31 2.18 0.06 0.00 0.56 0.00 0.00 62.75 65.86 2fe9 n ILE 19 Cb 0.37 -3.00 0.18 0.00 -0.75 0.00 0.00 39.64 36.44 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 0.15 -0.38 0.38 0.11 -1.84 0.29 132.00 130.72 2fe9 h PRO 20 Ca 0.44 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.38 2fe9 h PRO 20 Cb 0.67 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 2fe9 h PRO 20 CO -0.97 0.10 -0.40 1.98 -0.21 0.00 0.00 178.00 178.50 2fe9 h MET 21 N 0.16 0.93 -0.82 1.05 4.05 0.10 -2.26 114.93 118.14 2fe9 h MET 21 Ca 0.42 -0.50 0.15 0.00 -0.28 0.00 0.00 59.70 59.49 2fe9 h MET 21 Cb 0.75 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.52 2fe9 h MET 21 CO -0.61 1.16 0.54 2.35 0.23 0.00 0.00 176.91 180.58 2fe9 h TRP 22 N 0.75 0.64 0.00 1.39 7.01 0.20 0.33 115.95 126.27 2fe9 h TRP 22 Ca 0.06 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.95 2fe9 h TRP 22 Cb 1.00 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 2fe9 h TRP 22 CO 0.06 0.24 -0.58 -0.07 -2.79 0.00 0.00 178.44 175.31 2fe9 h LEU 23 N 0.55 0.00 -1.12 0.65 3.38 -0.22 -3.12 115.31 115.43 2fe9 h LEU 23 Ca 0.41 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.48 2fe9 h LEU 23 Cb 0.79 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 2fe9 h LEU 23 CO -0.16 0.58 0.61 0.50 0.09 0.00 0.00 178.44 180.05 2fe9 h LYS 24 N 0.00 0.94 0.00 1.13 3.11 0.23 0.62 116.57 122.59 2fe9 h LYS 24 Ca -0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2fe9 h LYS 24 Cb 1.19 -0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.20 2fe9 h LYS 24 CO 0.07 0.62 0.00 0.77 -2.81 0.00 0.00 179.45 178.10 2fe9 h SER 25 N 0.96 0.00 -0.23 4.20 0.02 -1.45 -1.87 113.55 115.19 2fe9 h SER 25 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2fe9 h SER 25 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2fe9 h SER 25 CO -0.20 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.67 2fe9 n LEU 26 N -2.60 3.37 -1.13 5.07 4.77 0.17 -4.41 117.00 122.25 2fe9 n LEU 26 Ca 0.02 -2.76 -0.05 0.00 -0.03 0.00 0.00 56.01 53.19 2fe9 n LEU 26 Cb 0.27 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2fe9 n LEU 26 CO 0.23 0.68 -0.05 -2.11 -1.33 0.00 0.00 177.39 174.82 2fe9 n ARG 27 N -0.42 -1.13 -0.85 3.23 -4.01 0.15 -4.52 116.66 109.11 2fe9 n ARG 27 Ca 0.17 0.30 0.03 0.00 -1.04 0.00 0.00 57.85 57.31 2fe9 n ARG 27 Cb 0.73 -4.37 0.34 0.00 -3.04 0.00 0.00 32.46 26.11 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 -1.31 5.46 0.10 2.89 4.77 0.44 -4.33 117.00 125.01 2fe9 n LEU 28 Ca -0.05 -3.08 0.07 0.00 -0.03 0.00 0.00 56.01 52.92 2fe9 n LEU 28 Cb 0.17 -0.68 0.35 0.00 -2.33 0.00 0.00 43.42 40.93 2fe9 n LEU 28 CO 0.08 0.72 0.70 0.00 -1.33 0.00 0.00 177.39 177.55 2fe9 n HIS 29 N 0.09 0.43 -0.32 -1.77 1.44 -1.20 -0.19 115.22 113.71 2fe9 n HIS 29 Ca 0.31 0.23 -0.01 0.00 -2.01 0.00 0.00 57.72 56.24 2fe9 n HIS 29 Cb 1.20 -0.86 0.12 0.00 0.12 0.00 0.00 29.99 30.57 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 1.03 -0.75 -1.40 2.10 -1.91 -0.62 116.57 115.02 2fe9 h LYS 30 Ca 0.00 -0.06 -0.18 0.00 -2.00 0.00 0.00 60.65 58.41 2fe9 h LYS 30 Cb 0.00 -0.23 -0.11 0.00 -0.90 0.00 0.00 32.23 30.99 2fe9 h LYS 30 CO 0.00 0.68 0.23 0.66 -2.00 0.00 0.00 179.45 179.02 2fe9 n TYR 31 N -4.56 2.33 -0.12 0.07 4.01 0.73 -4.48 117.16 115.15 2fe9 n TYR 31 Ca 0.11 -1.09 -0.10 0.00 -0.16 0.00 0.00 57.90 56.67 2fe9 n TYR 31 Cb 0.12 -0.65 -0.02 0.00 -0.31 0.00 0.00 39.34 38.48 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 2.75 0.49 -0.78 7.72 4.64 -1.03 0.28 113.55 127.63 2fe9 h SER 32 Ca 0.22 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2fe9 h SER 32 Cb 2.23 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 64.16 2fe9 h SER 32 CO 0.68 0.54 0.52 -0.78 -0.87 0.00 0.00 176.83 176.93 2fe9 h ASP 33 N 0.41 0.90 0.89 4.97 3.58 -1.78 1.41 116.42 126.81 2fe9 h ASP 33 Ca 0.11 -0.02 -0.20 0.00 0.42 0.00 0.00 57.03 57.34 2fe9 h ASP 33 Cb 0.21 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 2fe9 h ASP 33 CO -0.01 0.65 -0.95 0.00 -2.88 0.00 0.00 179.24 176.06 2fe9 h ALA 34 N 1.51 0.44 -0.00 -0.78 0.00 -1.77 -3.32 119.26 115.34 2fe9 h ALA 34 Ca 0.29 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2fe9 h ALA 34 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2fe9 h ALA 34 CO -0.06 1.14 -0.86 1.28 0.00 0.00 0.00 179.25 180.75 2fe9 n LEU 35 N -3.45 1.14 -0.12 0.00 4.32 0.96 -4.42 117.00 115.43 2fe9 n LEU 35 Ca -0.01 -0.55 -0.11 0.00 -0.02 0.00 0.00 56.01 55.32 2fe9 n LEU 35 Cb 0.89 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.66 2fe9 n LEU 35 CO 0.47 0.26 0.75 0.77 -1.22 0.00 0.00 177.39 178.42 2fe9 h SER 36 N 0.43 0.66 0.00 -1.43 4.64 0.18 -2.41 113.55 115.62 2fe9 h SER 36 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2fe9 h SER 36 Cb 0.52 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2fe9 h SER 36 CO 0.00 0.84 0.10 0.61 -0.87 0.00 0.00 176.83 177.51 2fe9 n GLY 37 N -0.26 -0.51 3.23 -0.77 0.00 -1.26 -4.35 105.19 101.27 2fe9 n GLY 37 Ca -0.02 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.00 2.28 1.20 2.61 2.01 -0.91 -5.13 115.64 114.69 2fe9 s THR 38 Ca -0.01 -0.92 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 2fe9 s THR 38 Cb 0.01 -1.91 0.30 0.00 0.01 0.00 0.00 72.50 70.92 2fe9 s THR 38 CO 0.05 0.55 0.98 -0.81 -0.69 0.00 0.00 174.62 174.69 2fe9 n PRO 39 N 3.76 -3.38 -0.03 4.92 -0.04 -1.26 -4.66 135.00 134.31 2fe9 n PRO 39 Ca -0.19 -1.58 -0.13 0.00 -0.04 0.00 0.00 63.50 61.56 2fe9 n PRO 39 Cb 0.52 -1.59 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.05 -0.36 0.54 5.08 -1.95 0.48 115.95 116.94 2fe9 h TRP 40 Ca -0.38 -0.02 0.11 0.00 1.08 0.00 0.00 58.89 59.67 2fe9 h TRP 40 Cb 1.19 -0.01 -0.01 0.00 -3.00 0.00 0.00 29.16 27.33 2fe9 h TRP 40 CO 0.00 0.64 0.54 0.97 -1.28 0.00 0.00 178.44 179.30 2fe9 h ILE 41 N -0.54 0.22 0.00 0.12 2.10 -1.92 0.45 117.51 117.93 2fe9 h ILE 41 Ca -0.00 0.00 -0.36 0.00 1.08 0.00 0.00 64.86 65.58 2fe9 h ILE 41 Cb 0.64 0.54 -0.07 0.00 -1.09 0.00 0.00 36.82 36.84 2fe9 h ILE 41 CO 0.01 0.00 -2.35 -0.62 -1.08 0.00 0.00 178.15 174.11 2fe9 n GLU 42 N -3.39 0.76 0.47 2.19 -0.58 -1.16 -4.09 120.64 114.84 2fe9 n GLU 42 Ca 0.07 0.06 -0.20 0.00 -0.42 0.00 0.00 57.16 56.67 2fe9 n GLU 42 Cb 0.69 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.97 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 0.00 -1.14 0.00 -4.62 7.12 0.31 0.11 115.31 117.09 2fe9 h LEU 43 Ca -0.53 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.53 2fe9 h LEU 43 Cb 2.02 0.31 0.00 0.00 -0.53 0.00 0.00 40.66 42.47 2fe9 h LEU 43 CO -0.02 -0.76 0.05 2.30 -0.13 0.00 0.00 178.44 179.87 2fe9 n ILE 44 N -5.63 1.71 0.35 4.05 -5.35 0.13 -0.17 119.36 114.44 2fe9 n ILE 44 Ca -0.16 0.48 0.08 0.00 -0.27 0.00 0.00 62.75 62.88 2fe9 n ILE 44 Cb 0.50 -1.48 -0.11 0.00 -1.74 0.00 0.00 39.64 36.81 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 -1.43 0.00 -0.07 4.28 4.02 -0.51 -4.44 117.16 119.01 2fe9 n TYR 45 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2fe9 n TYR 45 Cb 0.05 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.16 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 -1.76 0.00 -3.99 7.72 4.77 0.76 -5.06 117.00 119.43 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 0.35 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 2fe9 n LEU 46 CO 0.34 -0.97 0.21 -1.81 -1.33 0.00 0.00 177.39 173.83 2fe9 s ASP 47 N -1.88 0.02 0.18 -1.43 1.11 -1.26 -5.01 116.67 108.40 2fe9 s ASP 47 Ca 0.00 -0.99 -0.18 0.00 0.18 0.00 0.00 52.55 51.55 2fe9 s ASP 47 Cb 0.00 0.62 0.13 0.00 1.07 0.00 0.00 42.92 44.74 2fe9 s ASP 47 CO 0.00 -1.20 1.62 -2.24 1.18 0.00 0.00 175.17 174.53 2fe9 h ASP 48 N 2.21 -0.78 0.19 0.27 2.03 -1.94 -0.56 116.42 117.83 2fe9 h ASP 48 Ca -0.26 0.18 0.01 0.00 -0.73 0.00 0.00 57.03 56.23 2fe9 h ASP 48 Cb 1.25 0.42 -0.04 0.00 -0.83 0.00 0.00 39.33 40.13 2fe9 h ASP 48 CO 0.35 -0.25 -0.47 -0.08 -1.03 0.00 0.00 179.24 177.77 2fe9 h GLU 49 N -0.12 -0.72 -0.52 4.15 4.81 -1.96 -2.20 114.58 118.02 2fe9 h GLU 49 Ca 0.22 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.61 2fe9 h GLU 49 Cb 0.47 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.91 2fe9 h GLU 49 CO -0.56 -0.48 -0.16 1.15 -0.73 0.00 0.00 179.01 178.23 2fe9 h THR 50 N -0.75 0.42 -1.00 0.32 2.02 -1.77 0.18 112.91 112.33 2fe9 h THR 50 Ca -0.00 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.38 2fe9 h THR 50 Cb 0.74 0.42 -0.11 0.00 -1.74 0.00 0.00 68.15 67.46 2fe9 h THR 50 CO -0.23 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.21 2fe9 h LEU 51 N -0.04 0.75 -0.59 2.58 3.38 -0.74 0.68 115.31 121.34 2fe9 h LEU 51 Ca 0.25 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.23 2fe9 h LEU 51 Cb 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2fe9 h LEU 51 CO -0.56 0.24 -0.01 -0.08 0.09 0.00 0.00 178.44 178.12 2fe9 h GLU 52 N 0.71 1.04 0.00 1.13 4.81 -0.10 0.47 114.58 122.64 2fe9 h GLU 52 Ca 0.59 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 2fe9 h GLU 52 Cb 0.99 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 2fe9 h GLU 52 CO -0.39 1.03 -0.10 0.87 -0.73 0.00 0.00 179.01 179.69 2fe9 h LYS 53 N 0.94 0.00 0.10 1.92 1.79 0.17 -3.10 116.57 118.39 2fe9 h LYS 53 Ca 0.16 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2fe9 h LYS 53 Cb 0.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2fe9 h LYS 53 CO 0.03 0.10 -0.05 0.87 -1.08 0.00 0.00 179.45 179.33 2fe9 h LYS 54 N 0.00 -0.13 0.00 3.15 1.79 -0.12 -3.48 116.57 117.78 2fe9 h LYS 54 Ca -0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2fe9 h LYS 54 Cb 0.20 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2fe9 h LYS 54 CO 0.01 -0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.71 2fe9 n GLY 55 N 1.42 0.00 3.57 3.86 0.00 -0.34 -4.76 105.19 108.94 2fe9 n GLY 55 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 3.33 -0.40 1.61 1.01 0.15 -4.73 120.40 121.36 2fe9 s VAL 56 Ca 0.00 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.62 2fe9 s VAL 56 Cb 0.00 -3.99 0.49 0.00 0.00 0.00 0.00 36.38 32.88 2fe9 s VAL 56 CO 0.00 -0.65 1.46 0.18 0.00 0.00 0.00 175.10 176.10 2fe9 n LEU 57 N 15.90 4.78 -4.13 3.92 4.32 -1.26 -2.76 117.00 137.78 2fe9 n LEU 57 Ca 0.43 -2.48 -0.34 0.00 -0.02 0.00 0.00 56.01 53.60 2fe9 n LEU 57 Cb 0.46 -0.67 -0.14 0.00 -1.62 0.00 0.00 43.42 41.45 2fe9 n LEU 57 CO 0.61 0.68 -0.37 0.00 -1.22 0.00 0.00 177.39 177.09 2fe9 s ALA 58 N -2.16 2.78 0.55 -1.18 0.00 -1.26 -4.94 121.76 115.54 2fe9 s ALA 58 Ca 0.37 -1.89 0.34 0.00 0.00 0.00 0.00 51.96 50.77 2fe9 s ALA 58 Cb 0.29 -1.88 1.50 0.00 0.00 0.00 0.00 23.12 23.03 2fe9 s ALA 58 CO 0.09 -1.33 1.83 -0.07 0.00 0.00 0.00 175.76 176.28 2fe9 h LEU 59 N 7.90 0.00 -0.03 0.00 -0.00 -1.99 0.48 115.31 121.68 2fe9 h LEU 59 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.52 2fe9 h LEU 59 Cb 1.05 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.72 2fe9 h LEU 59 CO 0.52 0.00 -0.65 1.23 -0.00 0.00 0.00 178.44 179.54 2fe9 h GLY 60 N 0.00 0.55 0.28 0.83 0.00 -1.98 -3.08 103.07 99.67 2fe9 h GLY 60 Ca 0.47 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2fe9 h GLY 60 CO -0.00 0.80 -0.03 0.00 0.00 0.00 0.00 176.54 177.31 2fe9 h ALA 61 N 0.37 -0.08 0.69 3.60 0.00 -0.63 -3.11 119.26 120.10 2fe9 h ALA 61 Ca -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2fe9 h ALA 61 Cb 1.34 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.17 2fe9 h ALA 61 CO 0.13 -0.19 -0.33 0.07 0.00 0.00 0.00 179.25 178.93 2fe9 h ARG 62 N -0.81 -0.89 -0.30 0.00 0.11 -0.71 -0.82 114.38 110.96 2fe9 h ARG 62 Ca -0.01 0.06 0.09 0.00 0.10 0.00 0.00 59.98 60.22 2fe9 h ARG 62 Cb 0.63 0.20 -0.01 0.00 1.11 0.00 0.00 29.97 31.90 2fe9 h ARG 62 CO 0.01 -0.59 0.56 0.00 0.10 0.00 0.00 179.97 180.05 2fe9 h ARG 63 N -1.11 0.00 0.12 0.08 3.08 -1.71 0.52 114.38 115.35 2fe9 h ARG 63 Ca -0.09 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.70 2fe9 h ARG 63 Cb 0.71 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.78 2fe9 h ARG 63 CO 0.16 0.00 -1.06 -0.22 -1.07 0.00 0.00 179.97 177.77 2fe9 h LYS 64 N 0.00 0.51 -0.22 0.04 1.63 -1.38 -3.21 116.57 113.95 2fe9 h LYS 64 Ca 0.14 -0.71 0.06 0.00 -0.85 0.00 0.00 60.65 59.30 2fe9 h LYS 64 Cb 1.25 0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 33.11 2fe9 h LYS 64 CO -0.00 1.31 0.23 -0.07 -3.45 0.00 0.00 179.45 177.47 2fe9 h LEU 65 N 0.05 0.00 -2.69 5.20 3.38 0.15 0.26 115.31 121.67 2fe9 h LEU 65 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2fe9 h LEU 65 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2fe9 h LEU 65 CO 0.20 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.66 2fe9 h LEU 66 N 0.00 0.00 -0.03 1.67 3.38 -1.48 0.12 115.31 118.97 2fe9 h LEU 66 Ca 0.10 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.86 2fe9 h LEU 66 Cb 0.56 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.32 2fe9 h LEU 66 CO -0.00 0.00 -0.83 0.11 0.09 0.00 0.00 178.44 177.81 2fe9 h LYS 67 N 0.00 0.62 0.00 1.13 1.79 -0.64 -3.02 116.57 116.45 2fe9 h LYS 67 Ca 0.00 -0.62 -0.09 0.00 -2.18 0.00 0.00 60.65 57.76 2fe9 h LYS 67 Cb 0.09 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2fe9 h LYS 67 CO 0.00 1.23 -0.41 0.00 -1.08 0.00 0.00 179.45 179.19 2fe9 h ALA 68 N 0.41 0.98 -0.39 3.86 0.00 -1.04 -2.96 119.26 120.11 2fe9 h ALA 68 Ca -0.09 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2fe9 h ALA 68 Cb 1.49 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2fe9 h ALA 68 CO 0.16 0.51 0.03 0.74 0.00 0.00 0.00 179.25 180.69 2fe9 h PHE 69 N 0.00 0.73 -0.02 0.00 0.04 -0.82 -2.92 116.94 113.95 2fe9 h PHE 69 Ca -0.00 -0.12 -0.04 0.00 2.80 0.00 0.00 57.97 60.61 2fe9 h PHE 69 Cb 0.94 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.89 2fe9 h PHE 69 CO 0.00 0.74 -0.13 0.78 -0.60 0.00 0.00 178.31 179.10 2fe9 h GLY 70 N 0.51 0.13 0.58 -1.45 0.00 -1.49 -2.67 103.07 98.69 2fe9 h GLY 70 Ca 0.12 -0.20 0.15 0.00 0.00 0.00 0.00 47.33 47.40 2fe9 h GLY 70 CO 0.01 0.17 0.55 -2.22 0.00 0.00 0.00 176.54 175.06 2fe9 h ILE 71 N -0.52 0.82 -0.16 2.60 2.04 -1.61 -0.47 117.51 120.21 2fe9 h ILE 71 Ca -0.01 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 2fe9 h ILE 71 Cb 0.83 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2fe9 h ILE 71 CO 0.03 0.11 -0.27 0.58 0.00 0.00 0.00 178.15 178.60 2fe9 h VAL 72 N 0.58 1.35 -0.80 1.67 2.07 -1.56 -2.88 116.25 116.69 2fe9 h VAL 72 Ca 0.42 -1.50 0.09 0.00 0.82 0.00 0.00 66.70 66.53 2fe9 h VAL 72 Cb 0.77 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.39 2fe9 h VAL 72 CO -0.17 0.45 0.45 0.40 0.02 0.00 0.00 177.57 178.72 2fe9 h ILE 73 N 0.10 0.91 0.84 4.57 2.04 -0.78 0.12 117.51 125.32 2fe9 h ILE 73 Ca 0.01 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 2fe9 h ILE 73 Cb 0.85 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2fe9 h ILE 73 CO 0.06 0.14 -0.41 -0.78 0.00 0.00 0.00 178.15 177.16 2fe9 h ASP 74 N 0.76 -0.96 -0.58 1.72 3.58 -1.18 0.39 116.42 120.14 2fe9 h ASP 74 Ca 0.38 0.03 0.14 0.00 0.42 0.00 0.00 57.03 58.00 2fe9 h ASP 74 Cb 0.34 0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 2fe9 h ASP 74 CO -0.24 -0.61 0.41 1.88 -2.88 0.00 0.00 179.24 177.79 2fe9 h TYR 75 N -1.28 0.21 -0.55 0.28 -1.99 -1.34 0.68 116.97 112.97 2fe9 h TYR 75 Ca -0.12 0.01 -0.11 0.00 2.00 0.00 0.00 58.73 60.51 2fe9 h TYR 75 Cb 0.87 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.52 2fe9 h TYR 75 CO -0.00 0.09 -0.07 -0.22 -0.00 0.00 0.00 178.16 177.96 2fe9 h LYS 76 N 0.19 1.02 0.00 4.88 3.64 -0.44 0.42 116.57 126.29 2fe9 h LYS 76 Ca 0.28 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2fe9 h LYS 76 Cb 0.85 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2fe9 h LYS 76 CO -0.05 1.05 -0.05 0.93 -2.27 0.00 0.00 179.45 179.06 2fe9 h GLU 77 N 0.90 0.00 -0.54 1.90 4.39 0.45 -2.84 114.58 118.85 2fe9 h GLU 77 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2fe9 h GLU 77 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2fe9 h GLU 77 CO 0.04 0.05 0.00 0.54 -1.16 0.00 0.00 179.01 178.49 2fe9 n ARG 78 N -3.14 2.32 -2.10 2.33 1.74 0.16 -4.90 116.66 113.06 2fe9 n ARG 78 Ca 0.02 -2.04 -0.21 0.00 -0.77 0.00 0.00 57.85 54.85 2fe9 n ARG 78 Cb 0.41 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.17 -5.74 0.05 0.55 2.03 -1.00 -4.85 116.55 108.76 2fe9 n ASP 79 Ca 0.19 0.18 -0.06 0.00 0.52 0.00 0.00 54.79 55.62 2fe9 n ASP 79 Cb 0.49 -4.86 -0.11 0.00 -0.72 0.00 0.00 41.12 35.92 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 -9.51 -2.67 4.07 -0.39 -3.45 115.31 103.36 2fe9 h LEU 80 Ca -0.47 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 56.94 2fe9 h LEU 80 Cb 1.36 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.05 2fe9 h LEU 80 CO 0.60 0.93 0.09 -0.63 -1.08 0.00 0.00 178.44 178.34 2fe9 s ILE 81 N -2.72 4.83 0.24 1.22 1.01 -1.14 -4.99 121.20 119.64 2fe9 s ILE 81 Ca 0.00 1.47 -0.31 0.00 0.00 0.00 0.00 60.65 61.81 2fe9 s ILE 81 Cb 0.09 -4.04 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 2fe9 s ILE 81 CO 0.81 0.37 1.67 -0.62 0.00 0.00 0.00 174.94 177.18 2fe9 s ASP 82 N -0.02 6.37 0.21 3.58 -1.08 -1.26 -4.83 116.67 119.64 2fe9 s ASP 82 Ca 0.36 2.90 0.14 0.00 -0.52 0.00 0.00 52.55 55.43 2fe9 s ASP 82 Cb -0.19 -2.61 0.75 0.00 -1.46 0.00 0.00 42.92 39.41 2fe9 s ASP 82 CO 0.20 -0.95 1.43 0.54 0.52 0.00 0.00 175.17 176.91 2fe9 n ARG 83 N 3.29 0.09 -0.09 4.34 5.12 -1.26 -1.09 116.66 127.06 2fe9 n ARG 83 Ca 0.13 0.58 -0.03 0.00 -1.93 0.00 0.00 57.85 56.60 2fe9 n ARG 83 Cb 0.36 -1.79 0.20 0.00 -1.16 0.00 0.00 32.46 30.07 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 -0.38 0.55 0.87 -2.02 -2.69 113.55 110.58 2fe9 h SER 84 Ca 0.00 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.34 2fe9 h SER 84 Cb 0.01 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2fe9 h SER 84 CO 0.00 0.74 -0.05 0.00 -0.53 0.00 0.00 176.83 176.99 2fe9 h ALA 85 N 1.34 0.52 0.00 6.23 0.00 -1.45 -3.51 119.26 122.39 2fe9 h ALA 85 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2fe9 h ALA 85 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2fe9 h ALA 85 CO 0.01 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.26