#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 -7.55 0.11 -3.46 5.15 -1.26 -4.93 115.26 103.32 2fe9 n ASN 2 Ca 0.00 0.84 -0.07 0.00 -0.60 0.00 0.00 54.58 54.76 2fe9 n ASN 2 Cb 0.00 -4.44 -0.04 0.00 -0.53 0.00 0.00 39.78 34.77 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2fe9 h SER 3 N 2.71 -0.51 -5.47 1.20 0.87 -1.82 -3.47 113.55 107.06 2fe9 h SER 3 Ca -0.06 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2fe9 h SER 3 Cb 0.61 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 2fe9 h SER 3 CO 0.13 -0.25 -1.04 -0.24 -0.53 0.00 0.00 176.83 174.90 2fe9 n SER 4 N -3.45 -6.03 -4.53 6.23 2.88 -1.26 -4.41 113.62 103.05 2fe9 n SER 4 Ca -0.05 1.16 -0.35 0.00 -1.33 0.00 0.00 58.87 58.30 2fe9 n SER 4 Cb 0.17 -4.17 -0.10 0.00 -0.75 0.00 0.00 64.21 59.37 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 1.23 0.50 -2.60 -1.46 2.81 -1.26 -4.87 117.12 111.47 2fe9 n MET 5 Ca -0.09 -0.07 -0.42 0.00 -1.81 0.00 0.00 57.70 55.30 2fe9 n MET 5 Cb 0.25 -2.50 -0.02 0.00 -0.71 0.00 0.00 33.22 30.24 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 9.93 6.50 0.51 7.83 -0.87 -1.26 -4.89 114.94 132.69 2fe9 s ASN 6 Ca 1.16 0.19 0.34 0.00 -1.57 0.00 0.00 52.86 52.98 2fe9 s ASN 6 Cb -0.66 -2.55 1.84 0.00 -0.02 0.00 0.00 41.25 39.86 2fe9 s ASN 6 CO 0.36 -1.40 2.05 -0.65 -2.57 0.00 0.00 177.10 174.89 2fe9 h PRO 7 N 9.44 0.00 0.00 -0.60 0.11 -1.96 0.22 132.00 139.21 2fe9 h PRO 7 Ca -0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2fe9 h PRO 7 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2fe9 h PRO 7 CO 1.17 0.00 -0.00 0.87 -0.21 0.00 0.00 178.00 179.82 2fe9 h LYS 8 N 0.00 -0.00 0.02 1.05 6.56 -1.95 -3.26 116.57 118.99 2fe9 h LYS 8 Ca 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 2fe9 h LYS 8 Cb 0.04 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.71 2fe9 h LYS 8 CO 0.00 0.85 -0.64 1.03 -2.06 0.00 0.00 179.45 178.63 2fe9 h SER 9 N -1.00 0.53 0.01 0.86 0.87 -1.85 -3.01 113.55 109.96 2fe9 h SER 9 Ca -0.00 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2fe9 h SER 9 Cb 0.85 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2fe9 h SER 9 CO 0.00 1.25 0.00 0.18 -0.53 0.00 0.00 176.83 177.73 2fe9 n LEU 10 N -4.20 0.17 -0.43 2.23 4.77 0.74 -1.22 117.00 119.06 2fe9 n LEU 10 Ca -0.11 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.52 2fe9 n LEU 10 Cb 0.70 -0.60 0.13 0.00 -2.33 0.00 0.00 43.42 41.31 2fe9 n LEU 10 CO 0.47 -0.63 0.41 0.35 -1.33 0.00 0.00 177.39 176.66 2fe9 n THR 11 N -1.73 1.50 -3.81 -5.08 -2.24 -1.19 -4.70 114.28 97.03 2fe9 n THR 11 Ca -0.00 -2.08 -0.37 0.00 -2.27 0.00 0.00 64.05 59.34 2fe9 n THR 11 Cb 0.01 -0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.61 4.94 0.64 3.42 -1.08 -0.36 -4.52 116.67 117.11 2fe9 s ASP 12 Ca 0.29 -0.78 0.09 0.00 -0.52 0.00 0.00 52.55 51.63 2fe9 s ASP 12 Cb 0.27 -1.82 0.50 0.00 -1.46 0.00 0.00 42.92 40.41 2fe9 s ASP 12 CO -0.02 -0.18 1.27 -0.65 0.52 0.00 0.00 175.17 176.10 2fe9 h PRO 13 N 8.17 0.00 0.32 4.34 0.11 -1.90 0.79 132.00 143.84 2fe9 h PRO 13 Ca -0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 2fe9 h PRO 13 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2fe9 h PRO 13 CO 0.59 0.00 -0.15 -0.22 -0.21 0.00 0.00 178.00 178.01 2fe9 h LYS 14 N 0.00 -0.42 -0.04 1.05 3.11 -1.93 0.18 116.57 118.52 2fe9 h LYS 14 Ca 0.00 0.03 -0.20 0.00 -2.81 0.00 0.00 60.65 57.67 2fe9 h LYS 14 Cb 1.55 0.09 0.01 0.00 -1.00 0.00 0.00 32.23 32.89 2fe9 h LYS 14 CO 0.00 -0.25 -0.75 -0.07 -2.81 0.00 0.00 179.45 175.57 2fe9 h LEU 15 N -0.48 0.73 -0.78 5.20 -0.00 -1.11 -2.52 115.31 116.35 2fe9 h LEU 15 Ca -0.04 -0.71 0.12 0.00 -0.00 0.00 0.00 57.88 57.24 2fe9 h LEU 15 Cb 0.36 -0.22 -0.08 0.00 -0.00 0.00 0.00 40.66 40.72 2fe9 h LEU 15 CO 0.07 1.34 0.40 -0.07 -0.00 0.00 0.00 178.44 180.18 2fe9 h LEU 16 N 0.19 0.51 -0.21 1.67 3.38 -1.37 0.31 115.31 119.78 2fe9 h LEU 16 Ca -0.08 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2fe9 h LEU 16 Cb 1.42 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 2fe9 h LEU 16 CO 0.15 0.26 -0.16 0.11 0.09 0.00 0.00 178.44 178.89 2fe9 h LYS 17 N 0.63 0.00 -2.26 1.13 1.57 -1.02 -3.29 116.57 113.33 2fe9 h LYS 17 Ca 0.40 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.50 2fe9 h LYS 17 Cb 0.49 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.44 2fe9 h LYS 17 CO -0.31 0.16 0.09 -1.71 -0.57 0.00 0.00 179.45 177.10 2fe9 n ASN 18 N -3.16 5.75 -0.29 0.86 5.15 0.94 -4.92 115.26 119.59 2fe9 n ASN 18 Ca 0.03 -3.69 0.02 0.00 -0.60 0.00 0.00 54.58 50.34 2fe9 n ASN 18 Cb 0.56 -0.82 0.08 0.00 -0.53 0.00 0.00 39.78 39.06 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 -0.18 -0.37 -0.24 -1.44 2.08 -0.38 0.12 119.36 118.96 2fe9 n ILE 19 Ca 0.38 1.83 0.03 0.00 0.56 0.00 0.00 62.75 65.55 2fe9 n ILE 19 Cb 0.34 -2.49 0.12 0.00 -0.75 0.00 0.00 39.64 36.86 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 0.07 -0.52 0.38 0.11 -1.84 0.31 132.00 130.51 2fe9 h PRO 20 Ca 0.33 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 2fe9 h PRO 20 Cb 0.53 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 2fe9 h PRO 20 CO -0.80 0.05 -0.05 1.98 -0.21 0.00 0.00 178.00 178.96 2fe9 h MET 21 N 0.08 0.96 -0.85 1.05 4.05 0.67 -1.76 114.93 119.13 2fe9 h MET 21 Ca 0.37 -0.33 0.15 0.00 -0.28 0.00 0.00 59.70 59.60 2fe9 h MET 21 Cb 0.61 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.28 2fe9 h MET 21 CO -0.64 1.00 0.55 2.35 0.23 0.00 0.00 176.91 180.40 2fe9 h TRP 22 N 0.83 0.70 0.00 1.39 7.01 0.24 0.36 115.95 126.48 2fe9 h TRP 22 Ca 0.14 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.07 2fe9 h TRP 22 Cb 0.60 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.43 2fe9 h TRP 22 CO 0.04 0.26 -0.46 -0.07 -2.79 0.00 0.00 178.44 175.42 2fe9 h LEU 23 N 0.59 0.00 -0.43 0.65 3.38 -0.04 -3.24 115.31 116.22 2fe9 h LEU 23 Ca 0.42 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.46 2fe9 h LEU 23 Cb 0.78 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 2fe9 h LEU 23 CO -0.18 0.46 0.10 0.50 0.09 0.00 0.00 178.44 179.41 2fe9 h LYS 24 N 0.00 0.24 0.00 1.13 3.64 0.58 0.81 116.57 122.97 2fe9 h LYS 24 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2fe9 h LYS 24 Cb 1.17 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2fe9 h LYS 24 CO 0.06 0.16 0.00 0.43 -2.27 0.00 0.00 179.45 177.83 2fe9 n SER 25 N -5.08 0.00 -0.20 4.20 7.64 -1.13 -1.20 113.62 117.85 2fe9 n SER 25 Ca 0.04 0.41 0.02 0.00 1.01 0.00 0.00 58.87 60.34 2fe9 n SER 25 Cb 0.19 -0.45 0.05 0.00 -1.01 0.00 0.00 64.21 62.99 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 -1.45 2.28 0.00 -3.43 4.77 0.94 -4.50 117.00 115.60 2fe9 n LEU 26 Ca 0.04 -1.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.03 2fe9 n LEU 26 Cb 0.14 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2fe9 n LEU 26 CO 0.12 0.57 0.00 -2.11 -1.33 0.00 0.00 177.39 174.64 2fe9 n ARG 27 N -0.17 -0.97 -0.40 3.23 1.85 0.24 -4.58 116.66 115.87 2fe9 n ARG 27 Ca 0.04 0.16 0.03 0.00 -1.00 0.00 0.00 57.85 57.08 2fe9 n ARG 27 Cb 0.30 -3.74 0.18 0.00 -1.05 0.00 0.00 32.46 28.16 2fe9 n ARG 27 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2fe9 n LEU 28 N 0.00 3.07 0.16 2.89 4.77 0.21 -3.91 117.00 124.20 2fe9 n LEU 28 Ca 0.00 -1.56 0.11 0.00 -0.03 0.00 0.00 56.01 54.54 2fe9 n LEU 28 Cb 0.16 -0.56 0.58 0.00 -2.33 0.00 0.00 43.42 41.27 2fe9 n LEU 28 CO 0.00 0.42 0.83 0.00 -1.33 0.00 0.00 177.39 177.32 2fe9 n HIS 29 N 0.29 0.74 -0.01 -1.77 1.44 -1.16 0.04 115.22 114.80 2fe9 n HIS 29 Ca 0.12 0.38 0.13 0.00 -2.01 0.00 0.00 57.72 56.35 2fe9 n HIS 29 Cb 0.66 -1.11 0.57 0.00 0.12 0.00 0.00 29.99 30.23 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 0.24 -0.47 -1.40 2.10 -1.90 0.11 116.57 115.25 2fe9 h LYS 30 Ca 0.00 -0.01 -0.21 0.00 -2.00 0.00 0.00 60.65 58.42 2fe9 h LYS 30 Cb 0.03 -0.05 -0.13 0.00 -0.90 0.00 0.00 32.23 31.18 2fe9 h LYS 30 CO 0.00 0.16 0.08 0.66 -2.00 0.00 0.00 179.45 178.35 2fe9 n TYR 31 N -4.46 1.48 0.04 0.07 4.01 0.11 -4.68 117.16 113.74 2fe9 n TYR 31 Ca 0.08 -1.51 -0.13 0.00 -0.16 0.00 0.00 57.90 56.19 2fe9 n TYR 31 Cb 0.39 -0.55 -0.08 0.00 -0.31 0.00 0.00 39.34 38.78 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 1.23 -0.06 -0.95 7.72 0.87 -0.76 0.12 113.55 121.73 2fe9 h SER 32 Ca 0.26 -0.19 0.09 0.00 -1.23 0.00 0.00 61.79 60.72 2fe9 h SER 32 Cb 1.87 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.78 2fe9 h SER 32 CO 0.51 0.15 0.59 -0.78 -0.53 0.00 0.00 176.83 176.77 2fe9 h ASP 33 N -0.27 0.91 0.61 6.23 3.58 -1.83 1.77 116.42 127.42 2fe9 h ASP 33 Ca -0.01 0.03 -0.16 0.00 0.42 0.00 0.00 57.03 57.31 2fe9 h ASP 33 Cb 0.24 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2fe9 h ASP 33 CO 0.01 0.54 -0.75 0.00 -2.88 0.00 0.00 179.24 176.17 2fe9 h ALA 34 N 1.47 0.73 -0.00 -0.78 0.00 -1.81 -3.28 119.26 115.59 2fe9 h ALA 34 Ca 0.44 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2fe9 h ALA 34 Cb 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2fe9 h ALA 34 CO -0.21 0.87 -0.77 1.28 0.00 0.00 0.00 179.25 180.42 2fe9 n LEU 35 N -3.71 1.26 -0.07 0.00 4.32 0.41 -4.46 117.00 114.75 2fe9 n LEU 35 Ca -0.02 -0.58 -0.12 0.00 -0.02 0.00 0.00 56.01 55.26 2fe9 n LEU 35 Cb 0.72 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.47 2fe9 n LEU 35 CO 0.45 0.27 0.67 -1.28 -1.22 0.00 0.00 177.39 176.28 2fe9 h SER 36 N 0.74 0.46 0.00 -1.43 0.87 0.26 -2.54 113.55 111.92 2fe9 h SER 36 Ca 0.00 -0.41 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2fe9 h SER 36 Cb 0.54 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2fe9 h SER 36 CO 0.00 0.76 0.11 0.61 -0.53 0.00 0.00 176.83 177.78 2fe9 n GLY 37 N -0.03 -0.51 3.28 5.77 0.00 -1.26 -4.32 105.19 108.12 2fe9 n GLY 37 Ca -0.05 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.79 1.24 2.61 2.01 -0.96 -5.13 115.64 115.20 2fe9 s THR 38 Ca -0.01 -0.73 -0.21 0.00 0.31 0.00 0.00 61.69 61.06 2fe9 s THR 38 Cb 0.02 -2.19 0.31 0.00 0.01 0.00 0.00 72.50 70.65 2fe9 s THR 38 CO 0.05 0.51 0.93 -0.81 -0.69 0.00 0.00 174.62 174.61 2fe9 n PRO 39 N 4.06 -3.71 -0.03 4.92 -0.04 -1.26 -4.64 135.00 134.29 2fe9 n PRO 39 Ca -0.19 -1.52 -0.13 0.00 -0.04 0.00 0.00 63.50 61.62 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 -3.02 0.01 -0.46 0.54 5.08 -1.93 0.41 115.95 116.57 2fe9 h TRP 40 Ca -0.38 -0.01 0.13 0.00 1.08 0.00 0.00 58.89 59.72 2fe9 h TRP 40 Cb 1.20 -0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.34 2fe9 h TRP 40 CO 0.00 0.63 0.58 0.97 -1.28 0.00 0.00 178.44 179.34 2fe9 h ILE 41 N -0.61 0.25 0.01 0.12 6.09 -1.91 0.58 117.51 122.04 2fe9 h ILE 41 Ca -0.00 0.00 -0.38 0.00 -1.37 0.00 0.00 64.86 63.11 2fe9 h ILE 41 Cb 0.63 0.52 -0.06 0.00 0.47 0.00 0.00 36.82 38.38 2fe9 h ILE 41 CO 0.00 0.00 -2.38 -0.62 -3.07 0.00 0.00 178.15 172.08 2fe9 n GLU 42 N -3.50 0.67 0.39 2.19 -0.58 -1.17 -3.98 120.64 114.66 2fe9 n GLU 42 Ca 0.09 0.12 -0.19 0.00 -0.42 0.00 0.00 57.16 56.76 2fe9 n GLU 42 Cb 0.76 -1.55 -0.10 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 -1.31 0.00 -4.62 7.12 0.34 0.24 115.31 117.09 2fe9 h LEU 43 Ca -0.55 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2fe9 h LEU 43 Cb 2.01 0.40 0.00 0.00 -0.53 0.00 0.00 40.66 42.54 2fe9 h LEU 43 CO -0.03 -0.73 0.04 2.30 -0.13 0.00 0.00 178.44 179.88 2fe9 n ILE 44 N -5.59 1.30 0.20 4.05 -5.35 0.17 -0.17 119.36 113.97 2fe9 n ILE 44 Ca -0.14 0.36 0.07 0.00 -0.27 0.00 0.00 62.75 62.77 2fe9 n ILE 44 Cb 0.49 -1.36 -0.10 0.00 -1.74 0.00 0.00 39.64 36.93 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 -1.31 0.00 -0.08 4.28 4.02 -0.14 -4.49 117.16 119.44 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 0.04 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 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 -1.81 0.00 -3.99 7.72 4.77 0.76 -5.06 117.00 119.40 2fe9 n LEU 46 Ca -0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 2fe9 n LEU 46 Cb 0.33 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2fe9 n LEU 46 CO 0.30 -1.22 0.21 -1.81 -1.33 0.00 0.00 177.39 173.55 2fe9 s ASP 47 N -1.90 -0.03 0.22 -1.43 1.01 -1.26 -5.00 116.67 108.28 2fe9 s ASP 47 Ca 0.00 -0.95 -0.11 0.00 0.71 0.00 0.00 52.55 52.20 2fe9 s ASP 47 Cb 0.00 0.61 0.31 0.00 1.01 0.00 0.00 42.92 44.86 2fe9 s ASP 47 CO 0.00 -1.19 1.64 -0.78 0.21 0.00 0.00 175.17 175.05 2fe9 h ASP 48 N 2.22 -0.42 -0.02 0.27 1.82 -1.94 -0.37 116.42 117.99 2fe9 h ASP 48 Ca -0.26 0.18 0.01 0.00 -0.39 0.00 0.00 57.03 56.57 2fe9 h ASP 48 Cb 1.25 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 41.59 2fe9 h ASP 48 CO 0.35 -0.17 -0.04 -0.08 -1.61 0.00 0.00 179.24 177.69 2fe9 h GLU 49 N 0.07 -0.06 -0.10 0.28 4.81 -1.96 -2.33 114.58 115.28 2fe9 h GLU 49 Ca 0.34 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.59 2fe9 h GLU 49 Cb 0.56 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2fe9 h GLU 49 CO -0.62 -0.04 0.03 1.15 -0.73 0.00 0.00 179.01 178.80 2fe9 h THR 50 N -0.06 0.97 -0.90 0.32 2.02 -1.68 -2.08 112.91 111.49 2fe9 h THR 50 Ca 0.02 -0.03 0.18 0.00 0.77 0.00 0.00 66.41 67.36 2fe9 h THR 50 Cb 0.09 0.88 -0.11 0.00 -1.74 0.00 0.00 68.15 67.28 2fe9 h THR 50 CO -0.06 0.01 0.47 -0.07 0.37 0.00 0.00 175.52 176.25 2fe9 h LEU 51 N 0.08 0.53 -0.44 2.58 3.38 -0.98 0.30 115.31 120.76 2fe9 h LEU 51 Ca 0.04 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.13 2fe9 h LEU 51 Cb 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2fe9 h LEU 51 CO -0.05 0.16 0.28 -0.08 0.09 0.00 0.00 178.44 178.84 2fe9 h GLU 52 N 0.58 0.56 -0.65 1.13 4.81 -0.85 0.22 114.58 120.39 2fe9 h GLU 52 Ca 0.53 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.81 2fe9 h GLU 52 Cb 0.86 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 2fe9 h GLU 52 CO -0.42 0.37 0.43 0.87 -0.73 0.00 0.00 179.01 179.53 2fe9 h LYS 53 N 0.58 0.52 0.34 1.92 1.79 0.18 -2.75 116.57 119.16 2fe9 h LYS 53 Ca 0.16 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 2fe9 h LYS 53 Cb -0.06 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.48 2fe9 h LYS 53 CO -0.04 0.34 -0.17 0.87 -1.08 0.00 0.00 179.45 179.38 2fe9 h LYS 54 N 0.53 -0.45 0.00 3.15 1.79 -0.24 -3.47 116.57 117.89 2fe9 h LYS 54 Ca 0.29 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 2fe9 h LYS 54 Cb 0.44 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2fe9 h LYS 54 CO -0.09 -0.19 0.00 0.41 -1.08 0.00 0.00 179.45 178.50 2fe9 n GLY 55 N 0.36 0.00 3.58 3.86 0.00 -0.26 -4.74 105.19 107.99 2fe9 n GLY 55 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 3.57 -0.18 1.61 1.01 0.61 -4.67 120.40 122.35 2fe9 s VAL 56 Ca 0.00 -0.95 0.16 0.00 0.00 0.00 0.00 61.98 61.20 2fe9 s VAL 56 Cb 0.00 -4.58 0.05 0.00 0.00 0.00 0.00 36.38 31.85 2fe9 s VAL 56 CO 0.00 -1.05 1.32 -0.07 0.00 0.00 0.00 175.10 175.30 2fe9 h LEU 57 N 17.44 0.00 -8.96 3.92 4.07 -1.80 -2.81 115.31 127.16 2fe9 h LEU 57 Ca 0.22 0.00 -0.59 0.00 0.08 0.00 0.00 57.88 57.60 2fe9 h LEU 57 Cb 0.94 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 2fe9 h LEU 57 CO 1.24 0.44 1.44 0.00 -1.08 0.00 0.00 178.44 180.48 2fe9 s ALA 58 N -3.00 2.77 0.56 1.53 0.00 -1.26 -4.80 121.76 117.56 2fe9 s ALA 58 Ca 0.03 0.67 0.29 0.00 0.00 0.00 0.00 51.96 52.95 2fe9 s ALA 58 Cb 0.08 -4.06 1.47 0.00 0.00 0.00 0.00 23.12 20.61 2fe9 s ALA 58 CO 0.75 -2.75 1.93 -0.07 0.00 0.00 0.00 175.76 175.63 2fe9 h LEU 59 N 14.73 0.00 -0.01 0.00 -0.00 -1.99 0.23 115.31 128.27 2fe9 h LEU 59 Ca -0.39 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.24 2fe9 h LEU 59 Cb 1.22 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.90 2fe9 h LEU 59 CO 0.98 0.00 -0.96 1.23 -0.00 0.00 0.00 178.44 179.68 2fe9 h GLY 60 N 0.00 0.74 0.30 0.83 0.00 -1.97 -3.08 103.07 99.89 2fe9 h GLY 60 Ca 0.27 -1.29 -0.00 0.00 0.00 0.00 0.00 47.33 46.31 2fe9 h GLY 60 CO -0.00 1.14 -0.05 0.00 0.00 0.00 0.00 176.54 177.63 2fe9 h ALA 61 N 0.40 -0.13 0.73 3.60 0.00 -1.02 -3.07 119.26 119.76 2fe9 h ALA 61 Ca -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 2fe9 h ALA 61 Cb 1.62 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.47 2fe9 h ALA 61 CO 0.19 -0.22 -0.35 0.07 0.00 0.00 0.00 179.25 178.94 2fe9 h ARG 62 N -0.84 -0.95 -0.62 0.00 0.11 -1.12 -0.17 114.38 110.79 2fe9 h ARG 62 Ca -0.01 0.06 0.18 0.00 0.10 0.00 0.00 59.98 60.31 2fe9 h ARG 62 Cb 0.57 0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.85 2fe9 h ARG 62 CO 0.02 -0.63 0.64 0.00 0.10 0.00 0.00 179.97 180.10 2fe9 h ARG 63 N -1.23 0.00 0.08 0.08 3.08 -1.73 0.48 114.38 115.15 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 30.83 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 0.66 -0.25 0.04 3.64 -1.37 -3.19 116.57 116.10 2fe9 h LYS 64 Ca 0.29 -0.81 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 2fe9 h LYS 64 Cb 1.57 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 33.64 2fe9 h LYS 64 CO -0.00 1.37 0.21 -0.07 -2.27 0.00 0.00 179.45 178.68 2fe9 h LEU 65 N 0.31 0.00 -2.71 5.20 3.38 0.18 0.15 115.31 121.84 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 1.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 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 0.13 1.67 3.38 -1.45 0.16 115.31 119.19 2fe9 h LEU 66 Ca 0.12 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.79 2fe9 h LEU 66 Cb 0.54 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.31 2fe9 h LEU 66 CO -0.00 0.01 -1.28 0.50 0.09 0.00 0.00 178.44 177.75 2fe9 h LYS 67 N 0.00 0.49 0.00 1.13 3.11 -0.85 -3.17 116.57 117.28 2fe9 h LYS 67 Ca -0.00 -0.73 -0.05 0.00 -2.81 0.00 0.00 60.65 57.07 2fe9 h LYS 67 Cb 0.05 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.52 2fe9 h LYS 67 CO 0.00 1.33 -0.22 0.00 -2.81 0.00 0.00 179.45 177.75 2fe9 h ALA 68 N 0.38 0.96 -0.44 5.00 0.00 -0.97 -3.18 119.26 121.01 2fe9 h ALA 68 Ca -0.18 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2fe9 h ALA 68 Cb 1.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 2fe9 h ALA 68 CO 0.23 0.27 -0.26 0.74 0.00 0.00 0.00 179.25 180.23 2fe9 h PHE 69 N 0.00 1.12 0.04 0.00 0.04 -0.77 -3.17 116.94 114.19 2fe9 h PHE 69 Ca -0.00 -0.29 -0.00 0.00 2.80 0.00 0.00 57.97 60.47 2fe9 h PHE 69 Cb 0.84 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.74 2fe9 h PHE 69 CO 0.00 1.11 -0.02 0.78 -0.60 0.00 0.00 178.31 179.58 2fe9 h GLY 70 N 0.80 -0.06 0.64 -1.45 0.00 -1.53 -2.97 103.07 98.50 2fe9 h GLY 70 Ca 0.09 0.02 0.16 0.00 0.00 0.00 0.00 47.33 47.60 2fe9 h GLY 70 CO 0.07 -0.02 0.51 -2.22 0.00 0.00 0.00 176.54 174.88 2fe9 h ILE 71 N -0.75 0.77 -0.26 2.60 2.04 -1.67 -0.10 117.51 120.13 2fe9 h ILE 71 Ca -0.01 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.59 2fe9 h ILE 71 Cb 0.65 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2fe9 h ILE 71 CO 0.01 0.07 -0.40 0.58 0.00 0.00 0.00 178.15 178.41 2fe9 h VAL 72 N 0.36 1.30 0.79 1.67 2.07 -1.61 -2.86 116.25 117.98 2fe9 h VAL 72 Ca 0.37 -1.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 2fe9 h VAL 72 Cb 0.94 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2fe9 h VAL 72 CO -0.11 0.51 -0.46 0.40 0.02 0.00 0.00 177.57 177.93 2fe9 h ILE 73 N 0.45 0.08 -0.24 4.57 2.04 -0.87 0.64 117.51 124.17 2fe9 h ILE 73 Ca 0.02 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2fe9 h ILE 73 Cb 0.99 0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2fe9 h ILE 73 CO 0.09 0.00 -0.14 -0.78 0.00 0.00 0.00 178.15 177.32 2fe9 h ASP 74 N -1.16 -0.47 -0.32 1.72 3.58 -1.47 0.37 116.42 118.66 2fe9 h ASP 74 Ca -0.10 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2fe9 h ASP 74 Cb 0.92 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 42.20 2fe9 h ASP 74 CO 0.12 -0.18 0.22 1.88 -2.88 0.00 0.00 179.24 178.40 2fe9 h TYR 75 N -0.12 0.35 -0.13 0.28 -1.99 -1.45 1.19 116.97 115.10 2fe9 h TYR 75 Ca 0.13 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 2fe9 h TYR 75 Cb 0.32 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.93 2fe9 h TYR 75 CO -0.31 0.21 0.05 -0.22 -0.00 0.00 0.00 178.16 177.89 2fe9 h LYS 76 N 0.37 0.19 0.00 4.88 3.64 0.12 0.98 116.57 126.75 2fe9 h LYS 76 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2fe9 h LYS 76 Cb 0.05 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2fe9 h LYS 76 CO -0.03 0.28 0.00 0.39 -2.27 0.00 0.00 179.45 177.82 2fe9 n GLU 77 N -4.90 0.14 -1.16 1.90 1.02 0.11 -2.91 120.64 114.84 2fe9 n GLU 77 Ca -0.05 0.24 -0.19 0.00 -0.02 0.00 0.00 57.16 57.14 2fe9 n GLU 77 Cb 0.11 -1.71 0.21 0.00 -0.02 0.00 0.00 31.44 30.03 2fe9 n GLU 77 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2fe9 n ARG 78 N -1.96 2.54 -1.59 3.49 1.74 0.39 -4.88 116.66 116.40 2fe9 n ARG 78 Ca 0.04 -3.04 -0.08 0.00 -0.77 0.00 0.00 57.85 54.00 2fe9 n ARG 78 Cb 0.30 -2.16 -0.03 0.00 -1.02 0.00 0.00 32.46 29.55 2fe9 n ARG 78 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2fe9 n ASP 79 N -0.94 -2.42 0.07 0.55 5.68 -1.14 -4.74 116.55 113.61 2fe9 n ASP 79 Ca 0.54 0.23 0.04 0.00 -0.50 0.00 0.00 54.79 55.10 2fe9 n ASP 79 Cb 1.58 -2.34 -0.03 0.00 -1.14 0.00 0.00 41.12 39.18 2fe9 n ASP 79 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2fe9 h LEU 80 N 0.00 0.00 -9.33 -2.12 4.07 -1.01 -3.45 115.31 103.47 2fe9 h LEU 80 Ca -0.18 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.16 2fe9 h LEU 80 Cb 0.72 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.34 2fe9 h LEU 80 CO 0.25 0.40 -0.51 -0.63 -1.08 0.00 0.00 178.44 176.87 2fe9 s ILE 81 N -3.05 5.25 0.33 1.22 1.01 -0.84 -4.94 121.20 120.18 2fe9 s ILE 81 Ca -0.01 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 2fe9 s ILE 81 Cb 0.09 -3.35 -0.11 0.00 0.01 0.00 0.00 42.46 39.09 2fe9 s ILE 81 CO 0.79 0.50 1.51 -0.62 0.00 0.00 0.00 174.94 177.12 2fe9 s ASP 82 N -0.06 6.42 0.22 3.58 -1.08 -1.26 -4.85 116.67 119.64 2fe9 s ASP 82 Ca 0.09 2.94 0.18 0.00 -0.52 0.00 0.00 52.55 55.24 2fe9 s ASP 82 Cb -0.12 -2.65 0.86 0.00 -1.46 0.00 0.00 42.92 39.56 2fe9 s ASP 82 CO 0.00 -0.84 1.54 0.54 0.52 0.00 0.00 175.17 176.93 2fe9 n ARG 83 N 1.35 0.12 0.16 4.34 5.12 -1.26 -1.40 116.66 125.09 2fe9 n ARG 83 Ca 0.04 0.52 0.03 0.00 -1.93 0.00 0.00 57.85 56.51 2fe9 n ARG 83 Cb 0.39 -1.81 0.40 0.00 -1.16 0.00 0.00 32.46 30.28 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 0.11 -0.33 0.55 0.02 -2.02 -2.56 113.55 109.32 2fe9 h SER 84 Ca 0.00 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 2fe9 h SER 84 Cb 0.12 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2fe9 h SER 84 CO 0.00 0.34 -0.17 0.00 -1.14 0.00 0.00 176.83 175.86 2fe9 h ALA 85 N 1.67 0.47 0.00 3.77 0.00 -1.57 -3.51 119.26 120.09 2fe9 h ALA 85 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2fe9 h ALA 85 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2fe9 h ALA 85 CO 0.03 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.33