#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 1.15 -1.01 6.43 2.47 -1.26 -5.08 114.94 117.64 2fe9 s ASN 2 Ca 0.00 -0.25 -0.23 0.00 0.42 0.00 0.00 52.86 52.80 2fe9 s ASN 2 Cb 0.00 0.61 -0.02 0.00 -1.45 0.00 0.00 41.25 40.39 2fe9 s ASN 2 CO 0.00 -0.34 1.80 -0.94 -3.72 0.00 0.00 177.10 173.91 2fe9 s SER 3 N 2.39 5.61 0.09 -4.21 1.04 -1.26 -4.76 113.70 112.60 2fe9 s SER 3 Ca 0.09 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.35 2fe9 s SER 3 Cb -0.15 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2fe9 s SER 3 CO -0.19 -2.36 0.19 -0.94 0.98 0.00 0.00 173.24 170.93 2fe9 s SER 4 N 6.68 6.11 -0.06 7.02 1.04 -1.25 -4.95 113.70 128.30 2fe9 s SER 4 Ca 0.62 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 57.20 2fe9 s SER 4 Cb -0.03 -1.81 -0.01 0.00 0.10 0.00 0.00 66.02 64.27 2fe9 s SER 4 CO -0.00 0.14 0.07 0.24 0.98 0.00 0.00 173.24 174.67 2fe9 h MET 5 N 2.90 -0.04 -3.89 4.02 2.86 -1.92 -3.28 114.93 115.58 2fe9 h MET 5 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2fe9 h MET 5 Cb 1.17 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2fe9 h MET 5 CO 0.71 -0.03 -0.27 0.09 1.06 0.00 0.00 176.91 178.48 2fe9 n ASN 6 N -3.88 -4.39 0.00 1.22 4.13 -1.26 -4.46 115.26 106.61 2fe9 n ASN 6 Ca -0.01 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.59 2fe9 n ASN 6 Cb 0.02 -2.75 0.00 0.00 -1.54 0.00 0.00 39.78 35.51 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 -0.19 0.00 -0.07 3.52 -0.04 -1.26 -0.88 135.00 136.09 2fe9 n PRO 7 Ca 0.03 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 2fe9 n PRO 7 Cb 0.12 -1.54 -0.12 0.00 -0.04 0.00 0.00 33.50 31.93 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 -0.00 0.03 0.54 6.56 -1.97 -3.28 116.57 118.45 2fe9 h LYS 8 Ca 0.00 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.36 2fe9 h LYS 8 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 2fe9 h LYS 8 CO 0.00 0.91 -1.00 0.77 -2.06 0.00 0.00 179.45 178.07 2fe9 h SER 9 N -0.98 0.46 0.10 0.86 0.02 -1.51 -3.12 113.55 109.38 2fe9 h SER 9 Ca -0.00 -0.40 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2fe9 h SER 9 Cb 0.91 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.31 2fe9 h SER 9 CO 0.00 1.22 0.00 0.18 -1.14 0.00 0.00 176.83 177.09 2fe9 n LEU 10 N -3.68 0.33 -0.23 5.07 4.77 -0.06 -1.39 117.00 121.81 2fe9 n LEU 10 Ca -0.07 0.64 0.07 0.00 -0.03 0.00 0.00 56.01 56.63 2fe9 n LEU 10 Cb 0.87 -0.67 0.11 0.00 -2.33 0.00 0.00 43.42 41.41 2fe9 n LEU 10 CO 0.51 -0.71 0.47 0.35 -1.33 0.00 0.00 177.39 176.69 2fe9 n THR 11 N -1.93 1.47 -3.76 -5.08 -2.24 -1.18 -4.62 114.28 96.93 2fe9 n THR 11 Ca -0.00 -1.83 -0.38 0.00 -2.27 0.00 0.00 64.05 59.57 2fe9 n THR 11 Cb 0.05 -0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.48 5.29 0.66 3.42 -1.08 -0.48 -4.51 116.67 117.49 2fe9 s ASP 12 Ca 0.26 -1.12 0.12 0.00 -0.52 0.00 0.00 52.55 51.28 2fe9 s ASP 12 Cb 0.23 -1.86 0.61 0.00 -1.46 0.00 0.00 42.92 40.44 2fe9 s ASP 12 CO 0.01 -0.32 1.34 -0.65 0.52 0.00 0.00 175.17 176.07 2fe9 h PRO 13 N 8.21 0.00 -0.18 4.34 0.11 -1.90 0.16 132.00 142.74 2fe9 h PRO 13 Ca -0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.87 2fe9 h PRO 13 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2fe9 h PRO 13 CO 0.60 0.00 0.10 -0.22 -0.21 0.00 0.00 178.00 178.27 2fe9 h LYS 14 N 0.00 0.25 0.01 1.05 3.11 -1.93 0.14 116.57 119.21 2fe9 h LYS 14 Ca 0.03 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.81 2fe9 h LYS 14 Cb 1.60 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.78 2fe9 h LYS 14 CO -0.00 0.26 -0.12 -0.07 -2.81 0.00 0.00 179.45 176.71 2fe9 h LEU 15 N 0.18 0.09 -0.32 5.20 -0.00 -0.95 -2.99 115.31 116.52 2fe9 h LEU 15 Ca 0.06 -0.85 0.07 0.00 -0.00 0.00 0.00 57.88 57.17 2fe9 h LEU 15 Cb 0.08 -0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 40.63 2fe9 h LEU 15 CO -0.01 0.93 -0.25 -0.07 -0.00 0.00 0.00 178.44 179.04 2fe9 h LEU 16 N -0.74 -0.81 -1.75 1.67 3.38 -1.40 0.23 115.31 115.89 2fe9 h LEU 16 Ca -0.02 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2fe9 h LEU 16 Cb 0.95 0.39 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2fe9 h LEU 16 CO 0.02 -0.28 -0.13 0.11 0.09 0.00 0.00 178.44 178.25 2fe9 h LYS 17 N -0.22 0.00 -2.44 1.13 1.57 -0.84 -3.07 116.57 112.70 2fe9 h LYS 17 Ca 0.16 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 58.25 2fe9 h LYS 17 Cb 0.47 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.43 2fe9 h LYS 17 CO -0.44 0.13 0.07 -1.71 -0.57 0.00 0.00 179.45 176.93 2fe9 n ASN 18 N -4.35 5.26 -0.31 0.86 5.15 0.72 -4.93 115.26 117.66 2fe9 n ASN 18 Ca -0.03 -3.52 0.05 0.00 -0.60 0.00 0.00 54.58 50.49 2fe9 n ASN 18 Cb 0.20 -0.91 0.12 0.00 -0.53 0.00 0.00 39.78 38.66 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 0.67 -0.36 -0.21 -1.44 2.08 -0.67 0.77 119.36 120.21 2fe9 n ILE 19 Ca 0.31 1.96 -0.01 0.00 0.56 0.00 0.00 62.75 65.57 2fe9 n ILE 19 Cb 0.36 -2.71 0.05 0.00 -0.75 0.00 0.00 39.64 36.60 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 -0.03 -0.52 0.38 0.11 -1.83 0.43 132.00 130.55 2fe9 h PRO 20 Ca 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.48 2fe9 h PRO 20 Cb 0.62 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 2fe9 h PRO 20 CO -0.88 -0.02 0.19 1.98 -0.21 0.00 0.00 178.00 179.06 2fe9 h MET 21 N -0.03 0.78 -0.91 1.05 4.05 0.10 0.33 114.93 120.30 2fe9 h MET 21 Ca 0.29 -0.15 0.17 0.00 -0.28 0.00 0.00 59.70 59.73 2fe9 h MET 21 Cb 0.48 -0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 31.08 2fe9 h MET 21 CO -0.65 0.70 0.59 2.35 0.23 0.00 0.00 176.91 180.13 2fe9 h TRP 22 N 0.70 0.75 0.00 1.39 7.01 0.16 0.37 115.95 126.33 2fe9 h TRP 22 Ca 0.17 0.02 -0.15 0.00 2.11 0.00 0.00 58.89 61.04 2fe9 h TRP 22 Cb 0.23 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 2fe9 h TRP 22 CO 0.01 0.23 -0.72 -0.07 -2.79 0.00 0.00 178.44 175.10 2fe9 h LEU 23 N 0.59 0.00 -0.94 0.65 3.38 0.62 -3.22 115.31 116.40 2fe9 h LEU 23 Ca 0.47 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.56 2fe9 h LEU 23 Cb 0.91 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2fe9 h LEU 23 CO -0.22 0.72 0.57 0.50 0.09 0.00 0.00 178.44 180.10 2fe9 h LYS 24 N 0.00 0.89 0.00 1.13 3.64 0.18 0.77 116.57 123.18 2fe9 h LYS 24 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2fe9 h LYS 24 Cb 1.41 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2fe9 h LYS 24 CO 0.09 0.59 0.00 1.03 -2.27 0.00 0.00 179.45 178.89 2fe9 h SER 25 N 0.91 0.00 -0.02 4.20 0.87 -1.50 -2.83 113.55 115.19 2fe9 h SER 25 Ca 0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2fe9 h SER 25 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2fe9 h SER 25 CO -0.27 0.00 -0.12 0.18 -0.53 0.00 0.00 176.83 176.09 2fe9 n LEU 26 N -2.92 2.57 -0.60 2.23 4.77 0.10 -3.77 117.00 119.39 2fe9 n LEU 26 Ca 0.03 -0.87 -0.08 0.00 -0.03 0.00 0.00 56.01 55.06 2fe9 n LEU 26 Cb 0.41 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2fe9 n LEU 26 CO 0.30 0.44 -0.07 0.54 -1.33 0.00 0.00 177.39 177.26 2fe9 n ARG 27 N 0.85 -1.21 -0.70 3.23 5.12 0.23 -4.40 116.66 119.78 2fe9 n ARG 27 Ca 0.13 0.70 0.03 0.00 -1.93 0.00 0.00 57.85 56.78 2fe9 n ARG 27 Cb 0.54 -4.80 0.28 0.00 -1.16 0.00 0.00 32.46 27.32 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 -0.88 4.69 0.14 0.55 4.77 -0.01 -4.42 117.00 121.83 2fe9 n LEU 28 Ca -0.08 -3.19 0.09 0.00 -0.03 0.00 0.00 56.01 52.81 2fe9 n LEU 28 Cb 0.42 -0.63 0.50 0.00 -2.33 0.00 0.00 43.42 41.39 2fe9 n LEU 28 CO 0.12 0.80 0.78 0.00 -1.33 0.00 0.00 177.39 177.76 2fe9 n HIS 29 N -0.41 0.63 -0.07 -1.77 1.44 -1.17 -0.22 115.22 113.64 2fe9 n HIS 29 Ca 0.29 0.32 0.09 0.00 -2.01 0.00 0.00 57.72 56.41 2fe9 n HIS 29 Cb 1.08 -1.02 0.45 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 0.50 -0.43 -1.40 2.10 -1.91 0.22 116.57 115.65 2fe9 h LYS 30 Ca 0.00 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.50 2fe9 h LYS 30 Cb 0.02 -0.11 -0.07 0.00 -0.90 0.00 0.00 32.23 31.17 2fe9 h LYS 30 CO 0.00 0.33 0.07 0.66 -2.00 0.00 0.00 179.45 178.50 2fe9 n TYR 31 N -4.47 1.43 -0.20 0.07 4.01 0.69 -4.62 117.16 114.06 2fe9 n TYR 31 Ca 0.08 -1.19 -0.07 0.00 -0.16 0.00 0.00 57.90 56.56 2fe9 n TYR 31 Cb 0.25 -0.48 0.03 0.00 -0.31 0.00 0.00 39.34 38.83 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 1.77 0.71 -0.58 7.72 4.64 -0.86 0.20 113.55 127.15 2fe9 h SER 32 Ca 0.15 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 2fe9 h SER 32 Cb 1.77 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.66 2fe9 h SER 32 CO 0.43 0.60 0.13 0.44 -0.87 0.00 0.00 176.83 177.56 2fe9 h ASP 33 N 0.77 0.91 1.80 4.97 5.19 -1.82 1.26 116.42 129.51 2fe9 h ASP 33 Ca 0.20 -0.19 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 2fe9 h ASP 33 Cb 0.05 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 39.32 2fe9 h ASP 33 CO -0.03 0.90 -0.09 0.00 -3.12 0.00 0.00 179.24 176.90 2fe9 h ALA 34 N 1.22 0.95 0.00 3.45 0.00 -1.76 -3.30 119.26 119.81 2fe9 h ALA 34 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2fe9 h ALA 34 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2fe9 h ALA 34 CO 0.00 0.11 -0.84 1.28 0.00 0.00 0.00 179.25 179.80 2fe9 n LEU 35 N -3.13 0.40 -0.08 0.00 4.32 0.67 -4.58 117.00 114.61 2fe9 n LEU 35 Ca 0.03 -0.36 -0.11 0.00 -0.02 0.00 0.00 56.01 55.55 2fe9 n LEU 35 Cb 0.54 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.30 2fe9 n LEU 35 CO 0.34 0.10 0.81 0.77 -1.22 0.00 0.00 177.39 178.19 2fe9 h SER 36 N 0.00 0.39 0.00 -1.43 4.64 0.15 -2.23 113.55 115.07 2fe9 h SER 36 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2fe9 h SER 36 Cb 0.36 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2fe9 h SER 36 CO 0.00 0.54 0.24 1.23 -0.87 0.00 0.00 176.83 177.97 2fe9 h GLY 37 N 0.22 0.00 -6.02 -0.77 0.00 -1.80 -3.38 103.07 91.32 2fe9 h GLY 37 Ca 0.08 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.75 2fe9 h GLY 37 CO 0.00 0.00 -0.75 -1.59 0.00 0.00 0.00 176.54 174.20 2fe9 s THR 38 N -3.47 3.13 1.29 4.70 2.01 -0.84 -5.12 115.64 117.34 2fe9 s THR 38 Ca -0.02 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.15 2fe9 s THR 38 Cb 0.05 -2.35 0.33 0.00 0.01 0.00 0.00 72.50 70.53 2fe9 s THR 38 CO 0.16 0.49 0.98 -0.81 -0.69 0.00 0.00 174.62 174.75 2fe9 n PRO 39 N 3.98 -3.77 -0.03 4.92 -0.04 -1.26 -4.65 135.00 134.15 2fe9 n PRO 39 Ca -0.18 -1.60 -0.13 0.00 -0.04 0.00 0.00 63.50 61.55 2fe9 n PRO 39 Cb 0.52 -1.69 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 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 -3.06 0.05 -0.49 0.54 5.08 -1.94 0.40 115.95 116.53 2fe9 h TRP 40 Ca -0.39 -0.02 0.14 0.00 1.08 0.00 0.00 58.89 59.70 2fe9 h TRP 40 Cb 1.25 -0.01 -0.02 0.00 -3.00 0.00 0.00 29.16 27.38 2fe9 h TRP 40 CO 0.00 0.62 0.62 0.97 -1.28 0.00 0.00 178.44 179.37 2fe9 h ILE 41 N -0.53 0.24 0.00 0.12 6.09 -1.92 0.43 117.51 121.93 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 0.62 0.49 -0.07 0.00 0.47 0.00 0.00 36.82 38.33 2fe9 h ILE 41 CO 0.01 0.00 -2.40 -0.62 -3.07 0.00 0.00 178.15 172.07 2fe9 n GLU 42 N -3.48 0.70 0.35 2.19 1.02 -1.16 -4.09 120.64 116.17 2fe9 n GLU 42 Ca 0.10 0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 57.13 2fe9 n GLU 42 Cb 0.80 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.62 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 -1.18 0.00 -4.62 7.12 0.30 0.11 115.31 117.04 2fe9 h LEU 43 Ca -0.55 0.08 0.00 0.00 0.13 0.00 0.00 57.88 57.54 2fe9 h LEU 43 Cb 2.01 0.36 0.00 0.00 -0.53 0.00 0.00 40.66 42.51 2fe9 h LEU 43 CO -0.04 -0.67 0.03 2.30 -0.13 0.00 0.00 178.44 179.94 2fe9 n ILE 44 N -5.57 1.51 0.34 4.05 -5.35 0.12 -0.15 119.36 114.31 2fe9 n ILE 44 Ca -0.13 0.41 0.08 0.00 -0.27 0.00 0.00 62.75 62.84 2fe9 n ILE 44 Cb 0.45 -1.41 -0.11 0.00 -1.74 0.00 0.00 39.64 36.83 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 -1.37 0.00 -0.11 4.28 4.02 -0.17 -4.49 117.16 119.31 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 0.03 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 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 -1.75 0.00 -3.85 7.72 4.77 0.79 -5.07 117.00 119.61 2fe9 n LEU 46 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 2fe9 n LEU 46 Cb 0.34 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2fe9 n LEU 46 CO 0.33 -1.35 0.16 -1.81 -1.33 0.00 0.00 177.39 173.40 2fe9 s ASP 47 N -1.88 -0.14 0.31 -1.43 1.01 -1.26 -5.00 116.67 108.28 2fe9 s ASP 47 Ca 0.00 -0.67 0.07 0.00 0.71 0.00 0.00 52.55 52.66 2fe9 s ASP 47 Cb 0.00 0.53 0.89 0.00 1.01 0.00 0.00 42.92 45.35 2fe9 s ASP 47 CO 0.00 -1.01 1.64 -0.78 0.21 0.00 0.00 175.17 175.22 2fe9 h ASP 48 N 2.32 0.13 0.95 0.27 1.82 -1.94 0.11 116.42 120.08 2fe9 h ASP 48 Ca -0.29 0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 56.51 2fe9 h ASP 48 Cb 1.25 0.25 0.01 0.00 0.68 0.00 0.00 39.33 41.52 2fe9 h ASP 48 CO 0.41 -0.20 -0.46 -0.08 -1.61 0.00 0.00 179.24 177.30 2fe9 h GLU 49 N 0.20 -1.23 -0.41 0.28 4.81 -1.95 -2.81 114.58 113.46 2fe9 h GLU 49 Ca 0.64 0.08 0.09 0.00 -0.13 0.00 0.00 59.36 60.04 2fe9 h GLU 49 Cb 1.40 0.28 -0.09 0.00 0.63 0.00 0.00 28.75 30.96 2fe9 h GLU 49 CO -0.68 -0.82 -0.26 1.15 -0.73 0.00 0.00 179.01 177.67 2fe9 h THR 50 N -1.31 0.31 -1.02 0.32 2.02 -1.22 0.11 112.91 112.12 2fe9 h THR 50 Ca -0.13 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.30 2fe9 h THR 50 Cb 0.98 0.31 -0.11 0.00 -1.74 0.00 0.00 68.15 67.59 2fe9 h THR 50 CO 0.21 0.00 0.63 -0.07 0.37 0.00 0.00 175.52 176.66 2fe9 h LEU 51 N -0.18 0.59 -0.50 2.58 4.07 -1.20 0.76 115.31 121.42 2fe9 h LEU 51 Ca 0.19 0.11 -0.09 0.00 0.08 0.00 0.00 57.88 58.17 2fe9 h LEU 51 Cb 0.49 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2fe9 h LEU 51 CO -0.52 0.12 -0.03 -0.08 -1.08 0.00 0.00 178.44 176.85 2fe9 h GLU 52 N 0.52 0.91 0.00 1.13 4.81 -0.43 0.63 114.58 122.15 2fe9 h GLU 52 Ca 0.61 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 2fe9 h GLU 52 Cb 1.31 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 2fe9 h GLU 52 CO -0.38 0.95 -0.04 0.87 -0.73 0.00 0.00 179.01 179.68 2fe9 h LYS 53 N 0.77 0.00 0.04 1.92 1.79 0.15 -3.03 116.57 118.21 2fe9 h LYS 53 Ca 0.14 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2fe9 h LYS 53 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2fe9 h LYS 53 CO 0.03 0.04 -0.02 0.87 -1.08 0.00 0.00 179.45 179.29 2fe9 h LYS 54 N 0.00 -0.05 0.00 3.15 1.79 -0.38 -3.48 116.57 117.60 2fe9 h LYS 54 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2fe9 h LYS 54 Cb 0.08 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2fe9 h LYS 54 CO 0.01 0.05 0.00 0.41 -1.08 0.00 0.00 179.45 178.83 2fe9 n GLY 55 N 1.63 0.00 3.57 3.86 0.00 -0.31 -4.80 105.19 109.15 2fe9 n GLY 55 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 3.53 -0.18 1.61 1.01 0.21 -4.69 120.40 121.89 2fe9 s VAL 56 Ca 0.00 -0.77 0.17 0.00 0.00 0.00 0.00 61.98 61.38 2fe9 s VAL 56 Cb 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2fe9 s VAL 56 CO 0.00 -1.01 1.16 -0.07 0.00 0.00 0.00 175.10 175.18 2fe9 h LEU 57 N 17.62 0.00 -8.96 3.92 4.07 -1.82 -2.61 115.31 127.54 2fe9 h LEU 57 Ca 0.18 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.56 2fe9 h LEU 57 Cb 0.96 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 2fe9 h LEU 57 CO 1.23 0.41 1.41 0.00 -1.08 0.00 0.00 178.44 180.41 2fe9 s ALA 58 N -3.03 2.80 0.53 1.53 0.00 -1.26 -4.81 121.76 117.52 2fe9 s ALA 58 Ca 0.01 0.63 0.30 0.00 0.00 0.00 0.00 51.96 52.89 2fe9 s ALA 58 Cb 0.08 -4.05 1.44 0.00 0.00 0.00 0.00 23.12 20.60 2fe9 s ALA 58 CO 0.77 -2.70 1.90 -0.07 0.00 0.00 0.00 175.76 175.66 2fe9 h LEU 59 N 14.48 0.03 -0.02 0.00 -0.00 -1.99 0.24 115.31 128.05 2fe9 h LEU 59 Ca -0.39 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.27 2fe9 h LEU 59 Cb 1.22 -0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.89 2fe9 h LEU 59 CO 0.98 0.01 -0.87 1.23 -0.00 0.00 0.00 178.44 179.80 2fe9 h GLY 60 N 0.03 0.70 0.32 0.83 0.00 -1.98 -3.02 103.07 99.95 2fe9 h GLY 60 Ca 0.41 -1.18 -0.00 0.00 0.00 0.00 0.00 47.33 46.55 2fe9 h GLY 60 CO -0.02 1.05 -0.01 0.00 0.00 0.00 0.00 176.54 177.56 2fe9 h ALA 61 N 0.40 -0.02 0.67 3.60 0.00 -1.04 -3.06 119.26 119.81 2fe9 h ALA 61 Ca -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2fe9 h ALA 61 Cb 1.53 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.34 2fe9 h ALA 61 CO 0.17 -0.17 -0.32 0.07 0.00 0.00 0.00 179.25 179.00 2fe9 h ARG 62 N -0.71 -0.87 -0.47 0.00 0.11 -0.94 -2.07 114.38 109.43 2fe9 h ARG 62 Ca -0.00 0.06 0.14 0.00 0.10 0.00 0.00 59.98 60.27 2fe9 h ARG 62 Cb 0.66 0.20 -0.02 0.00 1.11 0.00 0.00 29.97 31.92 2fe9 h ARG 62 CO 0.00 -0.57 0.61 0.00 0.10 0.00 0.00 179.97 180.12 2fe9 h ARG 63 N -1.22 0.00 -0.06 0.08 3.08 -1.71 0.21 114.38 114.75 2fe9 h ARG 63 Ca -0.09 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.86 2fe9 h ARG 63 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2fe9 h ARG 63 CO 0.15 0.00 -0.34 0.87 -1.07 0.00 0.00 179.97 179.58 2fe9 h LYS 64 N 0.00 0.33 -0.22 0.04 1.57 -1.37 -3.15 116.57 113.77 2fe9 h LYS 64 Ca 0.22 -0.28 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 2fe9 h LYS 64 Cb 1.44 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 2fe9 h LYS 64 CO -0.00 0.93 0.22 -0.07 -0.57 0.00 0.00 179.45 179.95 2fe9 h LEU 65 N -0.17 0.00 -2.54 2.94 3.38 0.11 0.19 115.31 119.21 2fe9 h LEU 65 Ca -0.03 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2fe9 h LEU 65 Cb 1.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 2fe9 h LEU 65 CO 0.07 0.00 0.05 -0.07 0.09 0.00 0.00 178.44 178.58 2fe9 h LEU 66 N 0.00 0.00 0.11 1.67 3.38 -1.46 0.49 115.31 119.50 2fe9 h LEU 66 Ca 0.11 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.79 2fe9 h LEU 66 Cb 0.54 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.31 2fe9 h LEU 66 CO -0.00 0.00 -1.18 0.50 0.09 0.00 0.00 178.44 177.85 2fe9 h LYS 67 N 0.00 0.60 0.00 1.13 1.63 -0.78 -3.16 116.57 115.99 2fe9 h LYS 67 Ca 0.02 -0.79 -0.03 0.00 -0.85 0.00 0.00 60.65 58.99 2fe9 h LYS 67 Cb 0.12 0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2fe9 h LYS 67 CO -0.00 1.36 -0.15 0.00 -3.45 0.00 0.00 179.45 177.20 2fe9 h ALA 68 N 0.27 0.99 -0.33 5.00 0.00 -0.82 -3.08 119.26 121.30 2fe9 h ALA 68 Ca -0.18 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 2fe9 h ALA 68 Cb 1.86 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2fe9 h ALA 68 CO 0.23 0.19 -0.25 0.74 0.00 0.00 0.00 179.25 180.16 2fe9 h PHE 69 N 0.00 0.89 -0.07 0.00 0.04 -0.14 -3.14 116.94 114.52 2fe9 h PHE 69 Ca -0.00 -0.25 -0.14 0.00 2.80 0.00 0.00 57.97 60.38 2fe9 h PHE 69 Cb 0.74 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 38.70 2fe9 h PHE 69 CO 0.00 1.00 -0.52 0.78 -0.60 0.00 0.00 178.31 178.97 2fe9 h GLY 70 N 0.53 0.52 0.55 -1.45 0.00 -1.51 -2.79 103.07 98.91 2fe9 h GLY 70 Ca 0.06 -0.78 0.14 0.00 0.00 0.00 0.00 47.33 46.76 2fe9 h GLY 70 CO 0.07 0.69 0.57 -2.22 0.00 0.00 0.00 176.54 175.65 2fe9 h ILE 71 N 0.02 0.84 -0.09 2.60 2.04 -1.63 -1.30 117.51 120.00 2fe9 h ILE 71 Ca -0.05 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2fe9 h ILE 71 Cb 1.18 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2fe9 h ILE 71 CO 0.10 0.13 -0.15 0.58 0.00 0.00 0.00 178.15 178.81 2fe9 h VAL 72 N 0.70 1.40 -0.28 1.67 2.07 -1.56 -2.82 116.25 117.42 2fe9 h VAL 72 Ca 0.44 -1.43 0.06 0.00 0.82 0.00 0.00 66.70 66.60 2fe9 h VAL 72 Cb 0.69 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.53 2fe9 h VAL 72 CO -0.20 0.40 -0.13 0.40 0.02 0.00 0.00 177.57 178.07 2fe9 h ILE 73 N -0.20 0.59 0.85 4.57 2.04 -1.01 0.35 117.51 124.71 2fe9 h ILE 73 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 2fe9 h ILE 73 Cb 0.73 0.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2fe9 h ILE 73 CO 0.03 0.00 -0.41 -0.78 0.00 0.00 0.00 178.15 177.00 2fe9 h ASP 74 N -0.08 -0.97 -0.58 1.72 3.58 -1.36 0.20 116.42 118.92 2fe9 h ASP 74 Ca 0.15 0.03 0.15 0.00 0.42 0.00 0.00 57.03 57.77 2fe9 h ASP 74 Cb 0.31 0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 2fe9 h ASP 74 CO -0.34 -0.63 0.41 1.88 -2.88 0.00 0.00 179.24 177.68 2fe9 h TYR 75 N -1.27 0.15 -0.29 0.28 0.05 -1.42 0.64 116.97 115.10 2fe9 h TYR 75 Ca -0.12 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 2fe9 h TYR 75 Cb 0.88 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 2fe9 h TYR 75 CO -0.00 0.06 0.09 -0.22 -1.05 0.00 0.00 178.16 177.04 2fe9 h LYS 76 N 0.13 0.46 0.00 4.88 3.64 0.06 0.21 116.57 125.95 2fe9 h LYS 76 Ca 0.28 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 2fe9 h LYS 76 Cb 0.93 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2fe9 h LYS 76 CO -0.04 0.52 -0.05 0.93 -2.27 0.00 0.00 179.45 178.54 2fe9 h GLU 77 N 0.31 0.00 -0.60 1.90 5.08 0.32 -2.55 114.58 119.04 2fe9 h GLU 77 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2fe9 h GLU 77 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2fe9 h GLU 77 CO -0.00 0.05 0.00 0.54 -1.00 0.00 0.00 179.01 178.60 2fe9 n ARG 78 N -3.19 2.81 -1.90 2.33 1.74 0.13 -4.88 116.66 113.71 2fe9 n ARG 78 Ca 0.00 -1.91 -0.20 0.00 -0.77 0.00 0.00 57.85 54.97 2fe9 n ARG 78 Cb 0.31 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 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 -5.48 0.08 0.55 2.03 -0.96 -4.82 116.55 108.64 2fe9 n ASP 79 Ca 0.17 0.31 0.13 0.00 0.52 0.00 0.00 54.79 55.91 2fe9 n ASP 79 Cb 0.63 -4.74 0.32 0.00 -0.72 0.00 0.00 41.12 36.62 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 -2.59 0.73 -4.59 -2.67 4.32 0.69 -4.77 117.00 108.12 2fe9 n LEU 80 Ca -0.22 0.43 -0.34 0.00 -0.02 0.00 0.00 56.01 55.86 2fe9 n LEU 80 Cb 0.67 -0.27 -0.11 0.00 -1.62 0.00 0.00 43.42 42.09 2fe9 n LEU 80 CO 0.30 -0.12 -0.32 -0.63 -1.22 0.00 0.00 177.39 175.40 2fe9 s ILE 81 N -3.12 4.18 0.21 -0.08 1.01 -1.19 -4.93 121.20 117.28 2fe9 s ILE 81 Ca 0.09 -0.27 -0.32 0.00 0.00 0.00 0.00 60.65 60.15 2fe9 s ILE 81 Cb 0.13 -2.81 -0.13 0.00 0.01 0.00 0.00 42.46 39.67 2fe9 s ILE 81 CO 0.64 0.54 1.64 -0.67 0.00 0.00 0.00 174.94 177.09 2fe9 n ASP 82 N 2.94 3.61 0.10 3.58 -0.08 -1.26 -4.82 116.55 120.62 2fe9 n ASP 82 Ca -0.18 1.08 0.07 0.00 -1.51 0.00 0.00 54.79 54.25 2fe9 n ASP 82 Cb 0.53 -1.52 0.36 0.00 2.34 0.00 0.00 41.12 42.83 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 3.45 0.09 -0.07 -0.67 5.12 -1.26 -1.24 116.66 122.07 2fe9 n ARG 83 Ca 0.15 0.57 -0.06 0.00 -1.93 0.00 0.00 57.85 56.58 2fe9 n ARG 83 Cb 0.33 -1.77 0.13 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 0.72 -0.55 0.55 0.87 -2.03 -2.86 113.55 110.25 2fe9 h SER 84 Ca 0.00 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 2fe9 h SER 84 Cb 0.02 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 2fe9 h SER 84 CO 0.00 0.88 0.32 0.00 -0.53 0.00 0.00 176.83 177.50 2fe9 h ALA 85 N 1.18 0.71 0.00 6.23 0.00 -1.52 -3.51 119.26 122.34 2fe9 h ALA 85 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2fe9 h ALA 85 Cb 0.63 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2fe9 h ALA 85 CO 0.04 0.21 0.00 0.66 0.00 0.00 0.00 179.25 180.16