#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fe9 s ASN 2 N 0.00 3.70 0.00 -3.46 4.22 -1.26 -4.94 114.94 113.20 2fe9 s ASN 2 Ca 0.00 0.29 0.25 0.00 -2.14 0.00 0.00 52.86 51.26 2fe9 s ASN 2 Cb 0.00 -0.52 1.48 0.00 1.28 0.00 0.00 41.25 43.49 2fe9 s ASN 2 CO 0.00 -2.35 1.90 -1.20 -2.04 0.00 0.00 177.10 173.41 2fe9 n SER 3 N -3.48 0.00 0.00 3.54 7.64 -1.26 -4.89 113.62 115.17 2fe9 n SER 3 Ca 0.13 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2fe9 n SER 3 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2fe9 n SER 3 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2fe9 n SER 4 N -0.93 0.00 0.00 6.43 3.41 -1.26 -4.10 113.62 117.17 2fe9 n SER 4 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2fe9 n SER 4 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2fe9 n SER 4 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2fe9 n MET 5 N 0.00 0.00 -1.98 4.33 2.81 -1.26 -4.77 117.12 116.26 2fe9 n MET 5 Ca 0.00 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2fe9 n MET 5 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2fe9 n MET 5 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2fe9 n ASN 6 N 1.70 -4.09 0.00 7.83 4.05 -1.26 -4.45 115.26 119.04 2fe9 n ASN 6 Ca 0.00 0.57 0.00 0.00 0.45 0.00 0.00 54.58 55.60 2fe9 n ASN 6 Cb 0.00 -2.74 0.00 0.00 1.23 0.00 0.00 39.78 38.27 2fe9 n ASN 6 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2fe9 n PRO 7 N 0.32 0.00 -0.06 1.20 -0.04 -1.26 -0.95 135.00 134.21 2fe9 n PRO 7 Ca -0.02 0.30 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2fe9 n PRO 7 Cb 0.03 -1.52 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 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 -0.01 0.02 0.54 6.56 -1.97 -3.27 116.57 118.45 2fe9 h LYS 8 Ca 0.00 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.38 2fe9 h LYS 8 Cb 0.03 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 2fe9 h LYS 8 CO 0.00 0.83 -0.95 0.77 -2.06 0.00 0.00 179.45 178.04 2fe9 h SER 9 N -0.97 0.31 0.19 0.86 0.02 -1.58 -3.06 113.55 109.33 2fe9 h SER 9 Ca -0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2fe9 h SER 9 Cb 0.84 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2fe9 h SER 9 CO 0.00 1.10 0.00 0.18 -1.14 0.00 0.00 176.83 176.97 2fe9 n LEU 10 N -3.63 0.08 -0.23 5.07 4.77 -0.13 -1.80 117.00 121.13 2fe9 n LEU 10 Ca -0.05 0.53 0.05 0.00 -0.03 0.00 0.00 56.01 56.52 2fe9 n LEU 10 Cb 0.85 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 41.49 2fe9 n LEU 10 CO 0.49 -0.46 0.44 0.35 -1.33 0.00 0.00 177.39 176.87 2fe9 n THR 11 N -1.60 1.07 -3.77 -5.08 -2.24 -1.18 -4.60 114.28 96.89 2fe9 n THR 11 Ca 0.01 -1.28 -0.37 0.00 -2.27 0.00 0.00 64.05 60.14 2fe9 n THR 11 Cb 0.07 0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.29 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 -1.98 5.24 0.65 3.42 2.15 -0.75 -4.48 116.67 120.92 2fe9 s ASP 12 Ca 0.17 -1.07 0.12 0.00 0.43 0.00 0.00 52.55 52.21 2fe9 s ASP 12 Cb 0.15 -1.86 0.61 0.00 -0.30 0.00 0.00 42.92 41.53 2fe9 s ASP 12 CO 0.02 -0.30 1.33 -0.65 -0.17 0.00 0.00 175.17 175.40 2fe9 h PRO 13 N 8.21 0.00 0.08 4.34 0.11 -1.90 0.15 132.00 142.99 2fe9 h PRO 13 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 2fe9 h PRO 13 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2fe9 h PRO 13 CO 0.60 0.00 -0.04 -0.22 -0.21 0.00 0.00 178.00 178.13 2fe9 h LYS 14 N 0.00 -0.10 0.00 1.05 3.11 -1.93 0.32 116.57 119.03 2fe9 h LYS 14 Ca 0.06 0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.86 2fe9 h LYS 14 Cb 1.68 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.94 2fe9 h LYS 14 CO -0.00 -0.05 -0.18 -0.07 -2.81 0.00 0.00 179.45 176.33 2fe9 h LEU 15 N -0.12 0.16 -0.60 5.20 -0.00 -0.97 -2.91 115.31 116.07 2fe9 h LEU 15 Ca -0.01 -0.79 0.12 0.00 -0.00 0.00 0.00 57.88 57.20 2fe9 h LEU 15 Cb 0.09 -0.05 -0.10 0.00 -0.00 0.00 0.00 40.66 40.61 2fe9 h LEU 15 CO 0.02 0.93 0.04 -0.07 -0.00 0.00 0.00 178.44 179.36 2fe9 h LEU 16 N -0.60 -0.17 -1.21 1.67 3.38 -1.42 0.39 115.31 117.34 2fe9 h LEU 16 Ca -0.02 0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2fe9 h LEU 16 Cb 0.96 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2fe9 h LEU 16 CO 0.04 -0.07 -0.31 0.11 0.09 0.00 0.00 178.44 178.30 2fe9 h LYS 17 N 0.16 0.00 -2.40 1.13 1.57 -1.04 -3.26 116.57 112.74 2fe9 h LYS 17 Ca 0.31 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.42 2fe9 h LYS 17 Cb 0.50 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.44 2fe9 h LYS 17 CO -0.47 0.31 -0.08 -1.71 -0.57 0.00 0.00 179.45 176.92 2fe9 n ASN 18 N -3.64 4.96 -0.34 0.86 5.15 0.13 -4.94 115.26 117.44 2fe9 n ASN 18 Ca -0.01 -3.51 0.04 0.00 -0.60 0.00 0.00 54.58 50.51 2fe9 n ASN 18 Cb 0.43 -0.85 0.11 0.00 -0.53 0.00 0.00 39.78 38.94 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 0.66 -0.41 -0.26 -1.44 2.08 -0.73 0.94 119.36 120.20 2fe9 n ILE 19 Ca 0.31 2.14 0.07 0.00 0.56 0.00 0.00 62.75 65.83 2fe9 n ILE 19 Cb 0.37 -2.94 0.19 0.00 -0.75 0.00 0.00 39.64 36.51 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 0.18 -0.31 0.38 0.11 -1.84 0.39 132.00 130.91 2fe9 h PRO 20 Ca 0.43 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 2fe9 h PRO 20 Cb 0.66 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 2fe9 h PRO 20 CO -0.95 0.12 -0.18 1.98 -0.21 0.00 0.00 178.00 178.75 2fe9 h MET 21 N 0.18 0.67 -0.93 1.05 4.05 0.30 -1.84 114.93 118.41 2fe9 h MET 21 Ca 0.44 -0.31 0.19 0.00 -0.28 0.00 0.00 59.70 59.74 2fe9 h MET 21 Cb 0.80 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.51 2fe9 h MET 21 CO -0.61 0.90 0.60 2.35 0.23 0.00 0.00 176.91 180.39 2fe9 h TRP 22 N 0.43 0.74 -0.02 1.39 7.01 0.21 0.34 115.95 126.05 2fe9 h TRP 22 Ca 0.07 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.91 2fe9 h TRP 22 Cb 0.72 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2fe9 h TRP 22 CO 0.06 0.20 -0.77 -0.07 -2.79 0.00 0.00 178.44 175.07 2fe9 h LEU 23 N 0.56 0.20 -1.47 0.65 3.38 -0.05 -3.07 115.31 115.51 2fe9 h LEU 23 Ca 0.50 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.43 2fe9 h LEU 23 Cb 1.01 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2fe9 h LEU 23 CO -0.24 0.89 0.49 0.50 0.09 0.00 0.00 178.44 180.18 2fe9 h LYS 24 N 0.10 0.55 0.00 1.13 3.11 0.51 0.79 116.57 122.77 2fe9 h LYS 24 Ca -0.03 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.75 2fe9 h LYS 24 Cb 1.35 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 32.45 2fe9 h LYS 24 CO 0.11 0.37 -0.15 1.03 -2.81 0.00 0.00 179.45 178.00 2fe9 h SER 25 N 0.57 0.00 -0.35 4.20 0.87 -1.36 -2.67 113.55 114.81 2fe9 h SER 25 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 2fe9 h SER 25 Cb 0.60 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2fe9 h SER 25 CO -0.13 0.15 0.00 0.18 -0.53 0.00 0.00 176.83 176.51 2fe9 n LEU 26 N -3.26 3.13 -0.20 2.23 4.77 0.16 -4.00 117.00 119.84 2fe9 n LEU 26 Ca 0.01 -1.58 -0.03 0.00 -0.03 0.00 0.00 56.01 54.38 2fe9 n LEU 26 Cb 0.43 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2fe9 n LEU 26 CO 0.32 0.70 -0.02 0.54 -1.33 0.00 0.00 177.39 177.60 2fe9 n ARG 27 N 1.13 -1.33 -0.97 3.23 5.12 0.23 -4.69 116.66 119.37 2fe9 n ARG 27 Ca 0.16 0.47 -0.05 0.00 -1.93 0.00 0.00 57.85 56.50 2fe9 n ARG 27 Cb 0.51 -4.53 0.30 0.00 -1.16 0.00 0.00 32.46 27.58 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 -0.29 5.84 0.12 0.55 4.77 0.44 -4.35 117.00 124.07 2fe9 n LEU 28 Ca -0.03 -3.24 0.08 0.00 -0.03 0.00 0.00 56.01 52.79 2fe9 n LEU 28 Cb 0.37 -0.73 0.43 0.00 -2.33 0.00 0.00 43.42 41.16 2fe9 n LEU 28 CO 0.04 0.83 0.74 0.00 -1.33 0.00 0.00 177.39 177.66 2fe9 n HIS 29 N -0.23 0.53 -0.30 -1.77 1.44 -1.20 -0.37 115.22 113.31 2fe9 n HIS 29 Ca 0.39 0.28 -0.01 0.00 -2.01 0.00 0.00 57.72 56.37 2fe9 n HIS 29 Cb 1.34 -0.94 0.12 0.00 0.12 0.00 0.00 29.99 30.62 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 0.94 -0.76 -1.40 2.10 -1.91 -0.72 116.57 114.82 2fe9 h LYS 30 Ca 0.00 -0.06 -0.24 0.00 -2.00 0.00 0.00 60.65 58.36 2fe9 h LYS 30 Cb 0.00 -0.21 -0.14 0.00 -0.90 0.00 0.00 32.23 30.98 2fe9 h LYS 30 CO 0.00 0.62 0.30 0.66 -2.00 0.00 0.00 179.45 179.03 2fe9 n TYR 31 N -4.61 2.52 -0.14 0.07 4.01 0.50 -4.50 117.16 115.00 2fe9 n TYR 31 Ca 0.11 -1.24 -0.09 0.00 -0.16 0.00 0.00 57.90 56.52 2fe9 n TYR 31 Cb 0.14 -0.71 -0.00 0.00 -0.31 0.00 0.00 39.34 38.46 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 2.61 0.55 -0.67 7.72 4.64 -1.03 0.17 113.55 127.55 2fe9 h SER 32 Ca 0.29 -0.14 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 2fe9 h SER 32 Cb 2.38 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 64.30 2fe9 h SER 32 CO 0.77 0.54 0.32 0.44 -0.87 0.00 0.00 176.83 178.02 2fe9 h ASP 33 N 0.53 0.90 1.48 4.97 3.32 -1.79 1.28 116.42 127.12 2fe9 h ASP 33 Ca 0.14 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2fe9 h ASP 33 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2fe9 h ASP 33 CO -0.02 0.77 -0.41 0.00 -1.72 0.00 0.00 179.24 177.87 2fe9 h ALA 34 N 1.36 0.76 0.00 3.45 0.00 -1.78 -3.31 119.26 119.74 2fe9 h ALA 34 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2fe9 h ALA 34 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2fe9 h ALA 34 CO -0.03 0.51 -0.69 1.28 0.00 0.00 0.00 179.25 180.32 2fe9 n LEU 35 N -3.24 0.69 -0.14 0.00 4.32 0.57 -4.52 117.00 114.68 2fe9 n LEU 35 Ca 0.02 -0.50 -0.10 0.00 -0.02 0.00 0.00 56.01 55.41 2fe9 n LEU 35 Cb 0.67 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.46 2fe9 n LEU 35 CO 0.39 0.17 0.80 -1.28 -1.22 0.00 0.00 177.39 176.25 2fe9 h SER 36 N 0.00 0.70 0.00 -1.43 0.87 0.16 -2.30 113.55 111.55 2fe9 h SER 36 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2fe9 h SER 36 Cb 0.34 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2fe9 h SER 36 CO 0.00 0.83 0.07 0.61 -0.53 0.00 0.00 176.83 177.81 2fe9 n GLY 37 N -0.38 -0.45 3.22 5.77 0.00 -1.26 -4.36 105.19 107.73 2fe9 n GLY 37 Ca -0.01 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.90 2.22 1.25 2.61 2.01 -0.86 -5.14 115.64 114.83 2fe9 s THR 38 Ca -0.00 -0.94 -0.21 0.00 0.31 0.00 0.00 61.69 60.85 2fe9 s THR 38 Cb 0.00 -1.88 0.31 0.00 0.01 0.00 0.00 72.50 70.95 2fe9 s THR 38 CO 0.01 0.55 0.99 -0.81 -0.69 0.00 0.00 174.62 174.67 2fe9 n PRO 39 N 3.81 -3.55 -0.03 4.92 -0.04 -1.26 -4.65 135.00 134.20 2fe9 n PRO 39 Ca -0.19 -1.60 -0.14 0.00 -0.04 0.00 0.00 63.50 61.53 2fe9 n PRO 39 Cb 0.52 -1.64 -0.10 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 -2.94 0.16 -0.40 0.54 5.08 -1.95 0.45 115.95 116.89 2fe9 h TRP 40 Ca -0.39 -0.06 0.12 0.00 1.08 0.00 0.00 58.89 59.63 2fe9 h TRP 40 Cb 1.23 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 27.34 2fe9 h TRP 40 CO 0.00 0.71 0.57 0.97 -1.28 0.00 0.00 178.44 179.42 2fe9 h ILE 41 N -0.45 0.22 0.00 0.12 6.09 -1.93 0.44 117.51 122.00 2fe9 h ILE 41 Ca -0.00 0.00 -0.36 0.00 -1.37 0.00 0.00 64.86 63.13 2fe9 h ILE 41 Cb 0.72 0.52 -0.07 0.00 0.47 0.00 0.00 36.82 38.46 2fe9 h ILE 41 CO 0.02 0.00 -2.35 -0.62 -3.07 0.00 0.00 178.15 172.13 2fe9 n GLU 42 N -3.41 0.72 0.30 2.19 1.02 -1.16 -4.11 120.64 116.20 2fe9 n GLU 42 Ca 0.08 0.08 -0.17 0.00 -0.02 0.00 0.00 57.16 57.13 2fe9 n GLU 42 Cb 0.73 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.58 2fe9 n GLU 42 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2fe9 h LEU 43 N 0.00 -1.02 0.00 -4.62 7.12 0.28 0.11 115.31 117.18 2fe9 h LEU 43 Ca -0.53 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.55 2fe9 h LEU 43 Cb 1.97 0.32 0.00 0.00 -0.53 0.00 0.00 40.66 42.42 2fe9 h LEU 43 CO -0.04 -0.58 0.00 2.30 -0.13 0.00 0.00 178.44 180.00 2fe9 n ILE 44 N -5.51 1.25 0.33 4.05 -5.35 0.13 -0.27 119.36 113.99 2fe9 n ILE 44 Ca -0.12 0.32 0.07 0.00 -0.27 0.00 0.00 62.75 62.75 2fe9 n ILE 44 Cb 0.40 -1.32 -0.09 0.00 -1.74 0.00 0.00 39.64 36.89 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 -0.14 4.28 4.02 -0.08 -4.45 117.16 119.49 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 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 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 -1.63 0.00 -3.87 7.72 4.77 0.63 -5.07 117.00 119.55 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 0.28 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2fe9 n LEU 46 CO 0.28 -1.23 0.29 -1.81 -1.33 0.00 0.00 177.39 173.60 2fe9 s ASP 47 N -1.84 -0.19 0.30 -1.43 1.01 -1.26 -5.01 116.67 108.25 2fe9 s ASP 47 Ca 0.00 -0.69 0.04 0.00 0.71 0.00 0.00 52.55 52.61 2fe9 s ASP 47 Cb 0.00 0.62 0.79 0.00 1.01 0.00 0.00 42.92 45.34 2fe9 s ASP 47 CO 0.00 -1.17 1.64 -0.78 0.21 0.00 0.00 175.17 175.07 2fe9 h ASP 48 N 2.17 0.02 0.82 0.27 1.82 -1.94 -0.30 116.42 119.28 2fe9 h ASP 48 Ca -0.25 0.21 -0.04 0.00 -0.39 0.00 0.00 57.03 56.56 2fe9 h ASP 48 Cb 1.25 0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.54 2fe9 h ASP 48 CO 0.33 -0.19 -0.44 -0.08 -1.61 0.00 0.00 179.24 177.25 2fe9 h GLU 49 N 0.19 -1.11 -0.43 0.28 4.81 -1.96 -2.78 114.58 113.58 2fe9 h GLU 49 Ca 0.59 0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.98 2fe9 h GLU 49 Cb 1.24 0.25 -0.09 0.00 0.63 0.00 0.00 28.75 30.78 2fe9 h GLU 49 CO -0.68 -0.74 -0.31 1.15 -0.73 0.00 0.00 179.01 177.69 2fe9 h THR 50 N -1.16 0.24 -1.02 0.32 2.02 -1.49 0.11 112.91 111.93 2fe9 h THR 50 Ca -0.11 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.31 2fe9 h THR 50 Cb 0.90 0.24 -0.11 0.00 -1.74 0.00 0.00 68.15 67.44 2fe9 h THR 50 CO 0.16 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.61 2fe9 h LEU 51 N -0.23 0.59 -0.50 2.58 4.07 -1.29 0.73 115.31 121.26 2fe9 h LEU 51 Ca 0.18 0.11 -0.07 0.00 0.08 0.00 0.00 57.88 58.18 2fe9 h LEU 51 Cb 0.53 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 2fe9 h LEU 51 CO -0.55 0.12 0.03 -0.08 -1.08 0.00 0.00 178.44 176.88 2fe9 h GLU 52 N 0.52 0.86 -0.21 1.13 4.81 -0.54 0.52 114.58 121.68 2fe9 h GLU 52 Ca 0.61 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.60 2fe9 h GLU 52 Cb 1.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2fe9 h GLU 52 CO -0.38 0.88 0.14 0.87 -0.73 0.00 0.00 179.01 179.79 2fe9 h LYS 53 N 0.73 0.19 0.12 1.92 1.79 0.15 -3.06 116.57 118.39 2fe9 h LYS 53 Ca 0.14 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 2fe9 h LYS 53 Cb 0.48 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2fe9 h LYS 53 CO 0.02 0.13 -0.06 0.87 -1.08 0.00 0.00 179.45 179.33 2fe9 h LYS 54 N 0.20 -0.15 0.00 3.15 1.79 -0.52 -3.48 116.57 117.56 2fe9 h LYS 54 Ca 0.08 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2fe9 h LYS 54 Cb 0.10 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2fe9 h LYS 54 CO -0.02 -0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.66 2fe9 n GLY 55 N 1.38 0.00 3.44 3.86 0.00 -0.38 -4.80 105.19 108.69 2fe9 n GLY 55 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 1.85 0.66 1.61 0.31 0.17 -4.69 118.33 118.25 2fe9 n VAL 56 Ca 0.00 -1.84 0.03 0.00 -0.01 0.00 0.00 64.34 62.52 2fe9 n VAL 56 Cb 0.00 -2.21 0.12 0.00 -0.91 0.00 0.00 33.84 30.84 2fe9 n VAL 56 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2fe9 n LEU 57 N 12.27 2.11 -4.35 7.52 4.32 -1.26 -3.07 117.00 134.55 2fe9 n LEU 57 Ca 0.46 -1.07 -0.40 0.00 -0.02 0.00 0.00 56.01 54.99 2fe9 n LEU 57 Cb 0.45 -0.44 -0.12 0.00 -1.62 0.00 0.00 43.42 41.69 2fe9 n LEU 57 CO 0.80 0.35 -0.19 0.00 -1.22 0.00 0.00 177.39 177.13 2fe9 s ALA 58 N -1.59 3.21 0.55 -1.18 0.00 -1.26 -4.92 121.76 116.55 2fe9 s ALA 58 Ca 0.17 -1.72 0.32 0.00 0.00 0.00 0.00 51.96 50.73 2fe9 s ALA 58 Cb 0.12 -2.49 1.49 0.00 0.00 0.00 0.00 23.12 22.23 2fe9 s ALA 58 CO 0.07 -1.36 1.86 -0.07 0.00 0.00 0.00 175.76 176.26 2fe9 h LEU 59 N 8.37 0.00 0.00 0.00 -0.00 -1.99 0.45 115.31 122.15 2fe9 h LEU 59 Ca -0.25 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.40 2fe9 h LEU 59 Cb 1.10 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.78 2fe9 h LEU 59 CO 0.65 0.00 -0.92 1.23 -0.00 0.00 0.00 178.44 179.40 2fe9 h GLY 60 N 0.00 0.69 0.27 0.83 0.00 -1.97 -3.11 103.07 99.77 2fe9 h GLY 60 Ca 0.43 -1.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 2fe9 h GLY 60 CO -0.00 1.07 -0.03 0.00 0.00 0.00 0.00 176.54 177.57 2fe9 h ALA 61 N 0.37 -0.09 0.61 3.60 0.00 -0.66 -3.23 119.26 119.87 2fe9 h ALA 61 Ca -0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 2fe9 h ALA 61 Cb 1.59 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.42 2fe9 h ALA 61 CO 0.18 -0.18 -0.29 0.07 0.00 0.00 0.00 179.25 179.02 2fe9 h ARG 62 N -0.83 -0.79 -0.32 0.00 0.11 -0.80 -1.77 114.38 109.99 2fe9 h ARG 62 Ca -0.01 0.05 0.09 0.00 0.10 0.00 0.00 59.98 60.22 2fe9 h ARG 62 Cb 0.62 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 31.87 2fe9 h ARG 62 CO 0.02 -0.53 0.59 0.00 0.10 0.00 0.00 179.97 180.15 2fe9 h ARG 63 N -1.17 0.00 0.08 0.08 3.08 -1.71 0.19 114.38 114.93 2fe9 h ARG 63 Ca -0.08 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 2fe9 h ARG 63 Cb 0.63 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.69 2fe9 h ARG 63 CO 0.14 0.00 -0.54 0.87 -1.07 0.00 0.00 179.97 179.37 2fe9 h LYS 64 N 0.00 0.23 -0.22 0.04 6.56 -1.52 -3.25 116.57 118.40 2fe9 h LYS 64 Ca 0.15 -0.35 0.06 0.00 -1.06 0.00 0.00 60.65 59.46 2fe9 h LYS 64 Cb 1.33 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 33.11 2fe9 h LYS 64 CO -0.00 1.13 0.28 -0.07 -2.06 0.00 0.00 179.45 178.74 2fe9 h LEU 65 N -0.50 0.00 -2.55 2.94 3.38 0.29 0.42 115.31 119.29 2fe9 h LEU 65 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2fe9 h LEU 65 Cb 1.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2fe9 h LEU 65 CO 0.10 0.00 0.14 -0.07 0.09 0.00 0.00 178.44 178.70 2fe9 h LEU 66 N 0.00 0.00 0.08 1.67 3.38 -1.53 0.37 115.31 119.29 2fe9 h LEU 66 Ca 0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 2fe9 h LEU 66 Cb 0.67 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.44 2fe9 h LEU 66 CO -0.00 0.00 -1.06 0.11 0.09 0.00 0.00 178.44 177.58 2fe9 h LYS 67 N 0.00 0.57 0.00 1.13 1.79 -0.34 -3.07 116.57 116.64 2fe9 h LYS 67 Ca 0.01 -0.72 -0.08 0.00 -2.18 0.00 0.00 60.65 57.67 2fe9 h LYS 67 Cb 0.29 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2fe9 h LYS 67 CO -0.00 1.31 -0.40 0.00 -1.08 0.00 0.00 179.45 179.29 2fe9 h ALA 68 N 0.28 1.16 -0.43 3.86 0.00 -0.49 -2.28 119.26 121.37 2fe9 h ALA 68 Ca -0.16 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2fe9 h ALA 68 Cb 1.75 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 2fe9 h ALA 68 CO 0.20 0.49 -0.00 0.74 0.00 0.00 0.00 179.25 180.69 2fe9 h PHE 69 N 0.00 0.82 -0.03 0.00 0.04 -0.80 -2.52 116.94 114.46 2fe9 h PHE 69 Ca -0.00 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.54 2fe9 h PHE 69 Cb 0.79 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.73 2fe9 h PHE 69 CO 0.00 0.82 -0.30 0.78 -0.60 0.00 0.00 178.31 179.00 2fe9 h GLY 70 N 0.59 0.29 0.53 -1.45 0.00 -1.42 -2.42 103.07 99.19 2fe9 h GLY 70 Ca 0.12 -0.45 0.13 0.00 0.00 0.00 0.00 47.33 47.13 2fe9 h GLY 70 CO 0.02 0.40 0.60 -2.22 0.00 0.00 0.00 176.54 175.34 2fe9 h ILE 71 N -0.30 0.89 -0.21 2.60 2.04 -1.46 -0.37 117.51 120.70 2fe9 h ILE 71 Ca -0.03 -0.29 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 2fe9 h ILE 71 Cb 0.99 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2fe9 h ILE 71 CO 0.06 0.15 -0.32 0.58 0.00 0.00 0.00 178.15 178.62 2fe9 h VAL 72 N 0.84 1.33 0.50 1.67 2.07 -1.48 -2.87 116.25 118.30 2fe9 h VAL 72 Ca 0.46 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2fe9 h VAL 72 Cb 0.58 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2fe9 h VAL 72 CO -0.23 0.47 -0.42 0.40 0.02 0.00 0.00 177.57 177.82 2fe9 h ILE 73 N 0.27 0.16 -0.17 4.57 2.04 -0.72 0.22 117.51 123.88 2fe9 h ILE 73 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2fe9 h ILE 73 Cb 0.91 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 2fe9 h ILE 73 CO 0.07 0.00 -0.27 -0.78 0.00 0.00 0.00 178.15 177.17 2fe9 h ASP 74 N -0.90 -0.86 -0.21 1.72 1.82 -1.20 0.60 116.42 117.39 2fe9 h ASP 74 Ca -0.05 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2fe9 h ASP 74 Cb 0.78 0.38 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 2fe9 h ASP 74 CO -0.02 -0.32 0.13 1.88 -1.61 0.00 0.00 179.24 179.31 2fe9 h TYR 75 N -0.32 0.27 -0.22 0.28 0.05 -1.42 0.37 116.97 115.98 2fe9 h TYR 75 Ca 0.11 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.78 2fe9 h TYR 75 Cb 0.49 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2fe9 h TYR 75 CO -0.39 0.18 -0.34 -0.22 -1.05 0.00 0.00 178.16 176.35 2fe9 h LYS 76 N 0.29 0.47 0.00 4.88 3.64 0.14 0.24 116.57 126.23 2fe9 h LYS 76 Ca 0.08 -0.21 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 2fe9 h LYS 76 Cb -0.01 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2fe9 h LYS 76 CO -0.02 0.75 -0.40 0.93 -2.27 0.00 0.00 179.45 178.45 2fe9 h GLU 77 N 0.40 0.00 -0.44 1.90 4.39 0.31 -2.90 114.58 118.24 2fe9 h GLU 77 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2fe9 h GLU 77 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 2fe9 h GLU 77 CO 0.06 0.40 0.00 0.54 -1.16 0.00 0.00 179.01 178.85 2fe9 n ARG 78 N -3.42 2.03 -1.91 2.33 1.74 0.99 -4.88 116.66 113.54 2fe9 n ARG 78 Ca 0.00 -1.56 -0.21 0.00 -0.77 0.00 0.00 57.85 55.31 2fe9 n ARG 78 Cb 0.57 -1.35 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.76 -5.60 0.20 0.55 2.03 -1.06 -4.83 116.55 108.61 2fe9 n ASP 79 Ca 0.15 0.31 0.10 0.00 0.52 0.00 0.00 54.79 55.87 2fe9 n ASP 79 Cb 0.37 -4.83 0.14 0.00 -0.72 0.00 0.00 41.12 36.08 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 -9.32 -2.67 4.07 -0.77 -3.44 115.31 103.18 2fe9 h LEU 80 Ca -0.45 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 56.92 2fe9 h LEU 80 Cb 1.35 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.99 2fe9 h LEU 80 CO 0.60 0.08 -0.36 -0.63 -1.08 0.00 0.00 178.44 177.05 2fe9 s ILE 81 N -3.17 5.33 0.23 1.22 1.01 -1.18 -4.97 121.20 119.67 2fe9 s ILE 81 Ca 0.06 0.47 -0.32 0.00 0.00 0.00 0.00 60.65 60.86 2fe9 s ILE 81 Cb 0.06 -3.59 -0.13 0.00 0.01 0.00 0.00 42.46 38.81 2fe9 s ILE 81 CO 0.68 0.42 1.60 -0.67 0.00 0.00 0.00 174.94 176.97 2fe9 n ASP 82 N 3.43 3.53 0.11 3.58 -0.08 -1.26 -4.82 116.55 121.04 2fe9 n ASP 82 Ca -0.13 1.11 0.07 0.00 -1.51 0.00 0.00 54.79 54.33 2fe9 n ASP 82 Cb 0.52 -1.52 0.39 0.00 2.34 0.00 0.00 41.12 42.85 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 2.94 0.09 -0.16 -0.67 5.12 -1.26 -1.14 116.66 121.59 2fe9 n ARG 83 Ca 0.13 0.59 -0.03 0.00 -1.93 0.00 0.00 57.85 56.62 2fe9 n ARG 83 Cb 0.33 -1.81 0.19 0.00 -1.16 0.00 0.00 32.46 30.02 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 0.82 -0.54 0.55 0.87 -2.02 -2.51 113.55 110.72 2fe9 h SER 84 Ca 0.00 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.35 2fe9 h SER 84 Cb 0.00 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2fe9 h SER 84 CO 0.00 0.76 -0.00 0.00 -0.53 0.00 0.00 176.83 177.06 2fe9 h ALA 85 N 1.36 0.72 0.00 6.23 0.00 -1.47 -3.51 119.26 122.59 2fe9 h ALA 85 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2fe9 h ALA 85 Cb 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2fe9 h ALA 85 CO -0.01 0.55 0.00 0.66 0.00 0.00 0.00 179.25 180.44