#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 1.58 -2.21 6.43 5.03 -1.26 -4.74 115.26 120.09 2fe9 n ASN 2 Ca 0.00 -0.92 -0.17 0.00 0.87 0.00 0.00 54.58 54.36 2fe9 n ASN 2 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.74 2fe9 n ASN 2 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2fe9 n SER 3 N -1.31 -4.91 -0.68 6.41 3.41 -1.24 -4.82 113.62 110.48 2fe9 n SER 3 Ca 0.00 0.16 0.02 0.00 -0.26 0.00 0.00 58.87 58.79 2fe9 n SER 3 Cb 0.00 -4.18 0.10 0.00 -0.26 0.00 0.00 64.21 59.87 2fe9 n SER 3 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2fe9 n SER 4 N -1.70 1.81 -2.94 4.04 7.64 -1.26 -4.92 113.62 116.29 2fe9 n SER 4 Ca -0.20 -2.15 -0.09 0.00 1.01 0.00 0.00 58.87 57.44 2fe9 n SER 4 Cb 0.63 -0.39 0.01 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.13 -2.15 -2.39 1.43 2.81 -1.26 -4.89 117.12 110.80 2fe9 n MET 5 Ca 0.07 1.95 -0.43 0.00 -1.81 0.00 0.00 57.70 57.49 2fe9 n MET 5 Cb 0.38 -5.45 -0.02 0.00 -0.71 0.00 0.00 33.22 27.41 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 -2.62 6.36 0.00 7.83 -0.87 -1.26 -4.86 114.94 119.51 2fe9 s ASN 6 Ca 0.21 0.73 0.04 0.00 -1.57 0.00 0.00 52.86 52.27 2fe9 s ASN 6 Cb -0.05 -2.54 0.16 0.00 -0.02 0.00 0.00 41.25 38.80 2fe9 s ASN 6 CO 0.77 -1.43 1.04 -2.65 -2.57 0.00 0.00 177.10 172.26 2fe9 n PRO 7 N 8.09 0.02 -0.04 -0.60 -0.02 -1.26 -1.00 135.00 140.19 2fe9 n PRO 7 Ca 0.16 0.36 -0.07 0.00 -2.02 0.00 0.00 63.50 61.92 2fe9 n PRO 7 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.40 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 -0.03 0.03 -0.52 6.56 -1.96 -3.25 116.57 117.40 2fe9 h LYS 8 Ca 0.00 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.34 2fe9 h LYS 8 Cb 0.05 0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.73 2fe9 h LYS 8 CO 0.00 0.45 -1.03 0.77 -2.06 0.00 0.00 179.45 177.58 2fe9 h SER 9 N -0.99 0.64 0.24 0.86 0.02 -1.81 -2.84 113.55 109.68 2fe9 h SER 9 Ca -0.00 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2fe9 h SER 9 Cb 0.50 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2fe9 h SER 9 CO 0.01 1.35 0.00 0.18 -1.14 0.00 0.00 176.83 177.22 2fe9 n LEU 10 N -3.75 0.00 -0.19 5.07 4.77 -0.17 -1.97 117.00 120.75 2fe9 n LEU 10 Ca -0.09 0.48 0.04 0.00 -0.03 0.00 0.00 56.01 56.42 2fe9 n LEU 10 Cb 0.88 -0.48 0.06 0.00 -2.33 0.00 0.00 43.42 41.56 2fe9 n LEU 10 CO 0.53 -0.36 0.43 0.35 -1.33 0.00 0.00 177.39 177.01 2fe9 n THR 11 N -1.48 0.98 -3.81 -5.08 -2.24 -1.18 -4.60 114.28 96.87 2fe9 n THR 11 Ca 0.02 -1.15 -0.37 0.00 -2.27 0.00 0.00 64.05 60.29 2fe9 n THR 11 Cb 0.08 0.22 -0.13 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.74 4.96 0.66 3.42 -1.08 -0.83 -4.56 116.67 117.49 2fe9 s ASP 12 Ca 0.14 -0.79 0.11 0.00 -0.52 0.00 0.00 52.55 51.49 2fe9 s ASP 12 Cb 0.12 -1.83 0.58 0.00 -1.46 0.00 0.00 42.92 40.34 2fe9 s ASP 12 CO 0.01 -0.19 1.33 -0.65 0.52 0.00 0.00 175.17 176.19 2fe9 h PRO 13 N 8.18 0.00 0.18 4.34 0.11 -1.90 0.84 132.00 143.75 2fe9 h PRO 13 Ca -0.31 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 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 -0.09 -0.22 -0.21 0.00 0.00 178.00 178.08 2fe9 h LYS 14 N 0.00 -0.24 -0.02 1.05 3.11 -1.93 0.14 116.57 118.68 2fe9 h LYS 14 Ca 0.01 0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.79 2fe9 h LYS 14 Cb 1.55 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.83 2fe9 h LYS 14 CO -0.00 -0.15 -0.27 -0.07 -2.81 0.00 0.00 179.45 176.15 2fe9 h LEU 15 N -0.26 0.27 -0.43 5.20 -0.00 -1.08 -2.93 115.31 116.08 2fe9 h LEU 15 Ca -0.03 -0.73 0.09 0.00 -0.00 0.00 0.00 57.88 57.21 2fe9 h LEU 15 Cb 0.20 -0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 40.69 2fe9 h LEU 15 CO 0.04 0.96 -0.13 -0.07 -0.00 0.00 0.00 178.44 179.24 2fe9 h LEU 16 N -0.40 -0.48 -1.68 1.67 3.38 -1.41 0.29 115.31 116.68 2fe9 h LEU 16 Ca -0.03 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2fe9 h LEU 16 Cb 0.99 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2fe9 h LEU 16 CO 0.05 -0.17 -0.19 0.11 0.09 0.00 0.00 178.44 178.34 2fe9 h LYS 17 N -0.03 0.00 -2.36 1.13 1.57 -0.82 -3.22 116.57 112.84 2fe9 h LYS 17 Ca 0.21 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.35 2fe9 h LYS 17 Cb 0.35 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.27 2fe9 h LYS 17 CO -0.46 0.19 -0.30 -1.71 -0.57 0.00 0.00 179.45 176.59 2fe9 n ASN 18 N -3.84 4.33 -0.36 0.86 5.15 0.94 -4.94 115.26 117.40 2fe9 n ASN 18 Ca -0.02 -3.44 0.08 0.00 -0.60 0.00 0.00 54.58 50.61 2fe9 n ASN 18 Cb 0.28 -0.80 0.18 0.00 -0.53 0.00 0.00 39.78 38.91 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 0.96 -0.42 -0.27 -1.44 2.08 -0.78 0.70 119.36 120.19 2fe9 n ILE 19 Ca 0.29 2.26 0.09 0.00 0.56 0.00 0.00 62.75 65.95 2fe9 n ILE 19 Cb 0.39 -3.17 0.22 0.00 -0.75 0.00 0.00 39.64 36.34 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 0.20 -0.27 0.38 0.11 -1.84 0.27 132.00 130.85 2fe9 h PRO 20 Ca 0.51 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.43 2fe9 h PRO 20 Cb 0.86 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2fe9 h PRO 20 CO -1.00 0.13 -0.54 1.98 -0.21 0.00 0.00 178.00 178.36 2fe9 h MET 21 N 0.20 0.83 -0.90 1.05 4.05 0.01 -2.55 114.93 117.62 2fe9 h MET 21 Ca 0.48 -0.54 0.18 0.00 -0.28 0.00 0.00 59.70 59.54 2fe9 h MET 21 Cb 0.90 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.69 2fe9 h MET 21 CO -0.62 1.17 0.59 2.35 0.23 0.00 0.00 176.91 180.63 2fe9 h TRP 22 N 0.60 0.66 0.00 1.39 7.01 0.21 0.32 115.95 126.14 2fe9 h TRP 22 Ca 0.01 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.90 2fe9 h TRP 22 Cb 1.15 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 2fe9 h TRP 22 CO 0.08 0.20 -0.63 -0.07 -2.79 0.00 0.00 178.44 175.23 2fe9 h LEU 23 N 0.52 0.00 -1.02 0.65 3.38 -0.41 -3.23 115.31 115.19 2fe9 h LEU 23 Ca 0.47 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.54 2fe9 h LEU 23 Cb 1.01 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 2fe9 h LEU 23 CO -0.20 0.63 0.64 0.50 0.09 0.00 0.00 178.44 180.09 2fe9 h LYS 24 N 0.00 1.03 0.00 1.13 3.11 0.05 0.47 116.57 122.36 2fe9 h LYS 24 Ca -0.01 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 2fe9 h LYS 24 Cb 1.31 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2fe9 h LYS 24 CO 0.08 0.68 0.00 0.45 -2.81 0.00 0.00 179.45 177.85 2fe9 n SER 25 N -4.57 0.64 -0.76 4.20 2.88 -1.14 -2.26 113.62 112.61 2fe9 n SER 25 Ca 0.17 0.61 0.08 0.00 -1.33 0.00 0.00 58.87 58.40 2fe9 n SER 25 Cb 0.29 -0.76 0.14 0.00 -0.75 0.00 0.00 64.21 63.13 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 -2.16 2.82 -0.87 2.46 4.77 0.12 -3.59 117.00 120.55 2fe9 n LEU 26 Ca 0.04 -1.53 -0.11 0.00 -0.03 0.00 0.00 56.01 54.37 2fe9 n LEU 26 Cb 0.31 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2fe9 n LEU 26 CO 0.24 0.63 -0.11 0.54 -1.33 0.00 0.00 177.39 177.36 2fe9 n ARG 27 N 0.89 -1.67 -0.75 3.23 5.12 0.12 -4.42 116.66 119.17 2fe9 n ARG 27 Ca 0.13 0.89 0.00 0.00 -1.93 0.00 0.00 57.85 56.94 2fe9 n ARG 27 Cb 0.44 -5.31 0.27 0.00 -1.16 0.00 0.00 32.46 26.70 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 -1.28 4.80 0.10 0.55 4.77 0.15 -4.43 117.00 121.66 2fe9 n LEU 28 Ca -0.11 -3.26 0.07 0.00 -0.03 0.00 0.00 56.01 52.68 2fe9 n LEU 28 Cb 0.59 -0.64 0.38 0.00 -2.33 0.00 0.00 43.42 41.42 2fe9 n LEU 28 CO 0.17 0.85 0.72 0.00 -1.33 0.00 0.00 177.39 177.81 2fe9 n HIS 29 N -0.51 0.47 -0.15 -1.77 1.44 -1.18 -0.30 115.22 113.23 2fe9 n HIS 29 Ca 0.32 0.24 0.06 0.00 -2.01 0.00 0.00 57.72 56.33 2fe9 n HIS 29 Cb 1.12 -0.88 0.37 0.00 0.12 0.00 0.00 29.99 30.72 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 0.69 -0.51 -1.40 2.10 -1.91 0.02 116.57 115.56 2fe9 h LYS 30 Ca 0.00 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.54 2fe9 h LYS 30 Cb 0.04 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 31.17 2fe9 h LYS 30 CO 0.00 0.45 0.07 0.66 -2.00 0.00 0.00 179.45 178.63 2fe9 n TYR 31 N -4.47 1.77 -0.27 0.07 4.01 0.59 -4.55 117.16 114.30 2fe9 n TYR 31 Ca 0.09 -0.95 -0.03 0.00 -0.16 0.00 0.00 57.90 56.85 2fe9 n TYR 31 Cb 0.21 -0.50 0.09 0.00 -0.31 0.00 0.00 39.34 38.83 2fe9 n TYR 31 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2fe9 h SER 32 N 2.79 0.80 -0.67 7.72 0.02 -0.94 0.42 113.55 123.70 2fe9 h SER 32 Ca 0.08 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2fe9 h SER 32 Cb 1.89 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 64.23 2fe9 h SER 32 CO 0.47 0.56 0.12 0.44 -1.14 0.00 0.00 176.83 177.28 2fe9 h ASP 33 N 0.95 1.06 1.81 3.07 5.19 -1.80 1.10 116.42 127.80 2fe9 h ASP 33 Ca 0.30 -0.25 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 2fe9 h ASP 33 Cb -0.01 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 39.22 2fe9 h ASP 33 CO -0.10 1.04 -0.08 0.00 -3.12 0.00 0.00 179.24 176.97 2fe9 h ALA 34 N 1.08 0.95 0.00 3.45 0.00 -1.68 -3.29 119.26 119.78 2fe9 h ALA 34 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fe9 h ALA 34 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2fe9 h ALA 34 CO 0.01 0.10 -0.87 1.28 0.00 0.00 0.00 179.25 179.78 2fe9 n LEU 35 N -3.13 0.49 -0.13 0.00 4.32 0.14 -4.53 117.00 114.16 2fe9 n LEU 35 Ca 0.03 -0.38 -0.10 0.00 -0.02 0.00 0.00 56.01 55.54 2fe9 n LEU 35 Cb 0.54 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.32 2fe9 n LEU 35 CO 0.34 0.12 0.81 -1.28 -1.22 0.00 0.00 177.39 176.16 2fe9 h SER 36 N 0.00 0.63 0.00 -1.43 0.87 0.12 -2.24 113.55 111.51 2fe9 h SER 36 Ca 0.00 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2fe9 h SER 36 Cb 0.39 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2fe9 h SER 36 CO 0.00 0.76 0.13 0.61 -0.53 0.00 0.00 176.83 177.81 2fe9 n GLY 37 N -0.42 -0.60 3.26 5.77 0.00 -1.26 -4.31 105.19 107.63 2fe9 n GLY 37 Ca -0.01 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.18 2.54 1.32 2.61 2.01 -0.84 -5.13 115.64 114.97 2fe9 s THR 38 Ca -0.01 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 60.95 2fe9 s THR 38 Cb 0.03 -2.05 0.33 0.00 0.01 0.00 0.00 72.50 70.82 2fe9 s THR 38 CO 0.09 0.53 1.05 -2.16 -0.69 0.00 0.00 174.62 173.44 2fe9 s PRO 39 N 0.67 -2.12 -0.02 4.92 0.04 -1.26 -4.66 135.00 132.58 2fe9 s PRO 39 Ca -0.08 -0.10 -0.24 0.00 0.04 0.00 0.00 61.00 60.62 2fe9 s PRO 39 Cb -0.16 -1.49 -0.20 0.00 0.04 0.00 0.00 34.50 32.69 2fe9 s PRO 39 CO 0.02 -4.29 1.19 0.11 0.04 0.00 0.00 177.00 174.06 2fe9 h TRP 40 N -3.00 0.23 -0.60 0.56 5.08 -1.94 0.44 115.95 116.72 2fe9 h TRP 40 Ca -0.42 -0.09 0.18 0.00 1.08 0.00 0.00 58.89 59.63 2fe9 h TRP 40 Cb 1.30 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 27.40 2fe9 h TRP 40 CO -3.02 0.76 0.59 0.97 -1.28 0.00 0.00 178.44 176.45 2fe9 h ILE 41 N -0.36 0.36 0.03 0.12 6.09 -1.92 0.60 117.51 122.44 2fe9 h ILE 41 Ca -0.00 0.00 -0.37 0.00 -1.37 0.00 0.00 64.86 63.11 2fe9 h ILE 41 Cb 0.76 0.55 -0.05 0.00 0.47 0.00 0.00 36.82 38.54 2fe9 h ILE 41 CO 0.03 0.00 -2.29 -0.62 -3.07 0.00 0.00 178.15 172.20 2fe9 n GLU 42 N -3.78 0.68 0.30 2.19 -0.58 -1.16 -3.94 120.64 114.36 2fe9 n GLU 42 Ca 0.12 0.17 -0.18 0.00 -0.42 0.00 0.00 57.16 56.85 2fe9 n GLU 42 Cb 0.81 -1.59 -0.10 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.02 -1.35 -0.42 -4.62 7.12 0.27 0.32 115.31 116.65 2fe9 h LEU 43 Ca -0.51 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.60 2fe9 h LEU 43 Cb 1.99 0.44 0.00 0.00 -0.53 0.00 0.00 40.66 42.56 2fe9 h LEU 43 CO -0.01 -0.66 0.11 2.30 -0.13 0.00 0.00 178.44 180.05 2fe9 n ILE 44 N -5.46 1.33 0.56 4.05 -5.35 0.18 -0.15 119.36 114.53 2fe9 n ILE 44 Ca -0.12 0.59 0.07 0.00 -0.27 0.00 0.00 62.75 63.01 2fe9 n ILE 44 Cb 0.46 -1.59 -0.08 0.00 -1.74 0.00 0.00 39.64 36.69 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 -1.68 0.00 -0.12 4.28 4.02 0.00 -4.51 117.16 119.15 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 0.12 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.42 0.00 -3.98 7.72 4.77 0.93 -5.06 117.00 119.95 2fe9 n LEU 46 Ca 0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 2fe9 n LEU 46 Cb 0.24 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.28 2fe9 n LEU 46 CO 0.29 -0.90 0.22 -1.81 -1.33 0.00 0.00 177.39 173.85 2fe9 s ASP 47 N -1.79 -0.08 0.22 -1.43 1.11 -1.26 -5.01 116.67 108.42 2fe9 s ASP 47 Ca 0.00 -0.91 -0.10 0.00 0.18 0.00 0.00 52.55 51.72 2fe9 s ASP 47 Cb 0.00 0.61 0.33 0.00 1.07 0.00 0.00 42.92 44.93 2fe9 s ASP 47 CO 0.00 -1.18 1.65 -2.24 1.18 0.00 0.00 175.17 174.59 2fe9 h ASP 48 N 2.22 -0.33 0.21 0.27 2.03 -1.94 -0.51 116.42 118.38 2fe9 h ASP 48 Ca -0.25 0.17 -0.00 0.00 -0.73 0.00 0.00 57.03 56.21 2fe9 h ASP 48 Cb 1.25 0.30 -0.02 0.00 -0.83 0.00 0.00 39.33 40.03 2fe9 h ASP 48 CO 0.34 -0.14 -0.31 -0.08 -1.03 0.00 0.00 179.24 178.02 2fe9 h GLU 49 N 0.10 -0.53 -0.78 4.15 4.81 -1.96 -1.48 114.58 118.89 2fe9 h GLU 49 Ca 0.35 0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.79 2fe9 h GLU 49 Cb 0.57 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.95 2fe9 h GLU 49 CO -0.58 -0.35 0.19 1.15 -0.73 0.00 0.00 179.01 178.68 2fe9 h THR 50 N -0.55 0.45 -0.97 0.32 2.02 -1.81 0.50 112.91 112.88 2fe9 h THR 50 Ca -0.02 -0.09 0.11 0.00 0.77 0.00 0.00 66.41 67.18 2fe9 h THR 50 Cb 0.50 0.18 -0.08 0.00 -1.74 0.00 0.00 68.15 67.01 2fe9 h THR 50 CO -0.09 0.05 0.60 -0.07 0.37 0.00 0.00 175.52 176.37 2fe9 h LEU 51 N 0.25 0.88 -0.60 2.58 3.38 -0.78 0.26 115.31 121.29 2fe9 h LEU 51 Ca 0.45 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.42 2fe9 h LEU 51 Cb 0.82 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2fe9 h LEU 51 CO -0.56 0.48 0.17 -0.08 0.09 0.00 0.00 178.44 178.54 2fe9 h GLU 52 N 0.97 0.95 -0.39 1.13 4.81 0.97 0.48 114.58 123.50 2fe9 h GLU 52 Ca 0.47 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 2fe9 h GLU 52 Cb 0.43 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2fe9 h GLU 52 CO -0.25 0.86 0.26 0.87 -0.73 0.00 0.00 179.01 180.01 2fe9 h LYS 53 N 0.86 0.48 0.39 1.92 1.79 0.12 -2.60 116.57 119.53 2fe9 h LYS 53 Ca 0.19 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2fe9 h LYS 53 Cb 0.32 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2fe9 h LYS 53 CO -0.00 0.31 -0.19 0.87 -1.08 0.00 0.00 179.45 179.37 2fe9 h LYS 54 N 0.49 -0.50 0.00 3.15 1.79 0.10 -3.47 116.57 118.13 2fe9 h LYS 54 Ca 0.15 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 2fe9 h LYS 54 Cb -0.01 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2fe9 h LYS 54 CO -0.03 -0.19 0.00 0.41 -1.08 0.00 0.00 179.45 178.56 2fe9 n GLY 55 N -0.17 0.00 3.49 3.86 0.00 -0.41 -4.73 105.19 107.23 2fe9 n GLY 55 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 1.69 0.08 1.61 0.31 0.15 -4.66 118.33 117.51 2fe9 n VAL 56 Ca 0.00 -1.70 -0.10 0.00 -0.01 0.00 0.00 64.34 62.53 2fe9 n VAL 56 Cb 0.00 -2.18 -0.10 0.00 -0.91 0.00 0.00 33.84 30.65 2fe9 n VAL 56 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2fe9 h LEU 57 N 17.44 0.16 -8.73 7.52 4.07 -1.81 -2.84 115.31 131.12 2fe9 h LEU 57 Ca 0.24 -0.16 -0.64 0.00 0.08 0.00 0.00 57.88 57.40 2fe9 h LEU 57 Cb 0.89 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 2fe9 h LEU 57 CO 1.37 1.09 1.44 0.00 -1.08 0.00 0.00 178.44 181.26 2fe9 n ALA 58 N -2.42 1.36 0.00 1.53 0.00 -1.26 -4.77 120.51 114.95 2fe9 n ALA 58 Ca -0.03 -0.13 0.22 0.00 0.00 0.00 0.00 53.44 53.50 2fe9 n ALA 58 Cb 0.93 -2.69 0.72 0.00 0.00 0.00 0.00 19.45 18.41 2fe9 n ALA 58 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2fe9 h LEU 59 N 13.38 0.00 -0.04 0.00 -0.00 -1.99 0.24 115.31 126.90 2fe9 h LEU 59 Ca -0.33 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.30 2fe9 h LEU 59 Cb 1.29 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.97 2fe9 h LEU 59 CO 0.99 0.00 -0.94 1.23 -0.00 0.00 0.00 178.44 179.72 2fe9 h GLY 60 N 0.00 0.78 0.28 0.83 0.00 -1.97 -3.05 103.07 99.93 2fe9 h GLY 60 Ca 0.26 -1.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.29 2fe9 h GLY 60 CO -0.00 1.15 -0.05 0.00 0.00 0.00 0.00 176.54 177.63 2fe9 h ALA 61 N 0.43 -0.15 0.66 3.60 0.00 -1.02 -3.12 119.26 119.65 2fe9 h ALA 61 Ca -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2fe9 h ALA 61 Cb 1.59 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.45 2fe9 h ALA 61 CO 0.19 -0.22 -0.32 0.07 0.00 0.00 0.00 179.25 178.97 2fe9 h ARG 62 N -0.88 -0.85 -0.45 0.00 0.11 -1.06 -0.08 114.38 111.17 2fe9 h ARG 62 Ca -0.02 0.06 0.13 0.00 0.10 0.00 0.00 59.98 60.25 2fe9 h ARG 62 Cb 0.55 0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.81 2fe9 h ARG 62 CO 0.03 -0.57 0.59 0.00 0.10 0.00 0.00 179.97 180.12 2fe9 h ARG 63 N -1.11 0.00 0.19 0.08 3.08 -1.72 0.54 114.38 115.43 2fe9 h ARG 63 Ca -0.09 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.65 2fe9 h ARG 63 Cb 0.68 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.76 2fe9 h ARG 63 CO 0.15 0.00 -1.36 -0.22 -1.07 0.00 0.00 179.97 177.47 2fe9 h LYS 64 N 0.00 0.54 -0.13 0.04 3.64 -1.41 -3.20 116.57 116.06 2fe9 h LYS 64 Ca 0.21 -0.83 0.04 0.00 -1.27 0.00 0.00 60.65 58.80 2fe9 h LYS 64 Cb 1.39 0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 33.50 2fe9 h LYS 64 CO -0.00 1.39 0.15 -0.07 -2.27 0.00 0.00 179.45 178.65 2fe9 h LEU 65 N 0.19 0.00 -2.38 5.20 3.38 0.20 0.23 115.31 122.14 2fe9 h LEU 65 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2fe9 h LEU 65 Cb 2.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.79 2fe9 h LEU 65 CO 0.25 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.71 2fe9 h LEU 66 N 0.00 0.00 0.05 1.67 3.38 -1.47 0.15 115.31 119.09 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 0.37 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.14 2fe9 h LEU 66 CO -0.00 0.00 -1.15 0.11 0.09 0.00 0.00 178.44 177.49 2fe9 h LYS 67 N 0.00 0.62 -0.19 1.13 1.79 -0.71 -3.12 116.57 116.09 2fe9 h LYS 67 Ca 0.00 -0.76 -0.15 0.00 -2.18 0.00 0.00 60.65 57.56 2fe9 h LYS 67 Cb 0.13 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2fe9 h LYS 67 CO 0.00 1.33 -0.50 0.00 -1.08 0.00 0.00 179.45 179.20 2fe9 h ALA 68 N 0.38 0.77 -0.74 3.86 0.00 -1.11 -2.95 119.26 119.47 2fe9 h ALA 68 Ca -0.16 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.31 2fe9 h ALA 68 Cb 1.82 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 2fe9 h ALA 68 CO 0.22 0.67 0.46 0.74 0.00 0.00 0.00 179.25 181.34 2fe9 h PHE 69 N 0.41 0.85 0.01 0.00 0.04 -1.09 -2.53 116.94 114.64 2fe9 h PHE 69 Ca 0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 2fe9 h PHE 69 Cb 1.02 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.90 2fe9 h PHE 69 CO 0.04 0.47 -0.00 0.78 -0.60 0.00 0.00 178.31 178.99 2fe9 h GLY 70 N 0.88 -0.01 0.55 -1.45 0.00 -1.48 -1.93 103.07 99.62 2fe9 h GLY 70 Ca 0.31 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.80 2fe9 h GLY 70 CO -0.13 -0.00 0.55 -2.22 0.00 0.00 0.00 176.54 174.73 2fe9 h ILE 71 N -0.59 0.79 -0.05 2.60 2.04 -1.48 -0.44 117.51 120.39 2fe9 h ILE 71 Ca -0.00 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2fe9 h ILE 71 Cb 0.57 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2fe9 h ILE 71 CO 0.00 0.10 -0.08 0.58 0.00 0.00 0.00 178.15 178.74 2fe9 h VAL 72 N 0.52 1.42 -0.83 1.67 2.07 -1.45 -3.08 116.25 116.58 2fe9 h VAL 72 Ca 0.42 -1.37 0.13 0.00 0.82 0.00 0.00 66.70 66.70 2fe9 h VAL 72 Cb 0.86 2.22 -0.09 0.00 -1.52 0.00 0.00 31.29 32.76 2fe9 h VAL 72 CO -0.17 0.37 0.44 0.40 0.02 0.00 0.00 177.57 178.64 2fe9 h ILE 73 N -0.36 0.79 0.77 4.57 2.04 -0.34 0.24 117.51 125.23 2fe9 h ILE 73 Ca 0.00 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2fe9 h ILE 73 Cb 0.65 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2fe9 h ILE 73 CO 0.02 0.12 -0.37 -0.78 0.00 0.00 0.00 178.15 177.14 2fe9 h ASP 74 N 0.67 -0.87 -0.53 1.72 1.82 -1.19 0.70 116.42 118.74 2fe9 h ASP 74 Ca 0.43 0.03 0.13 0.00 -0.39 0.00 0.00 57.03 57.23 2fe9 h ASP 74 Cb 0.54 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.75 2fe9 h ASP 74 CO -0.32 -0.57 0.37 1.88 -1.61 0.00 0.00 179.24 178.99 2fe9 h TYR 75 N -1.15 0.17 -0.54 0.28 -1.99 -1.42 0.64 116.97 112.96 2fe9 h TYR 75 Ca -0.11 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.52 2fe9 h TYR 75 Cb 0.79 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 39.45 2fe9 h TYR 75 CO 0.03 0.07 -0.10 -0.22 -0.00 0.00 0.00 178.16 177.94 2fe9 h LYS 76 N 0.15 1.02 0.00 4.88 3.64 -0.19 0.37 116.57 126.44 2fe9 h LYS 76 Ca 0.25 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2fe9 h LYS 76 Cb 0.79 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 2fe9 h LYS 76 CO -0.04 1.05 -0.19 0.93 -2.27 0.00 0.00 179.45 178.94 2fe9 h GLU 77 N 0.91 0.00 -0.64 1.90 5.08 0.56 -2.90 114.58 119.49 2fe9 h GLU 77 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2fe9 h GLU 77 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2fe9 h GLU 77 CO 0.05 0.19 0.00 0.54 -1.00 0.00 0.00 179.01 178.78 2fe9 n ARG 78 N -3.25 3.64 -2.23 2.33 1.74 0.14 -4.90 116.66 114.13 2fe9 n ARG 78 Ca 0.01 -2.48 -0.12 0.00 -0.77 0.00 0.00 57.85 54.50 2fe9 n ARG 78 Cb 0.48 -1.92 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 2fe9 n ARG 78 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2fe9 n ASP 79 N 0.78 -3.66 0.04 0.55 8.00 -1.05 -4.80 116.55 116.41 2fe9 n ASP 79 Ca 0.22 0.22 -0.07 0.00 0.71 0.00 0.00 54.79 55.87 2fe9 n ASP 79 Cb 0.86 -3.18 -0.12 0.00 -0.02 0.00 0.00 41.12 38.66 2fe9 n ASP 79 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2fe9 h LEU 80 N 0.00 0.00 -9.53 0.64 4.07 -0.51 -3.45 115.31 106.54 2fe9 h LEU 80 Ca -0.27 -0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.15 2fe9 h LEU 80 Cb 1.12 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 2fe9 h LEU 80 CO 0.34 1.00 0.21 -0.63 -1.08 0.00 0.00 178.44 178.28 2fe9 s ILE 81 N -2.69 4.70 0.21 1.22 1.01 -1.14 -5.00 121.20 119.53 2fe9 s ILE 81 Ca -0.00 1.74 -0.32 0.00 0.00 0.00 0.00 60.65 62.07 2fe9 s ILE 81 Cb 0.10 -4.17 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 2fe9 s ILE 81 CO 0.82 0.34 1.62 -0.67 0.00 0.00 0.00 174.94 177.05 2fe9 n ASP 82 N 2.92 3.58 0.10 3.58 -0.08 -1.26 -4.82 116.55 120.57 2fe9 n ASP 82 Ca -0.01 1.09 0.07 0.00 -1.51 0.00 0.00 54.79 54.43 2fe9 n ASP 82 Cb 0.50 -1.52 0.36 0.00 2.34 0.00 0.00 41.12 42.80 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 3.26 0.09 -0.27 -0.67 5.12 -1.26 -1.19 116.66 121.73 2fe9 n ARG 83 Ca 0.14 0.58 -0.04 0.00 -1.93 0.00 0.00 57.85 56.60 2fe9 n ARG 83 Cb 0.33 -1.78 0.11 0.00 -1.16 0.00 0.00 32.46 29.96 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 1.03 -0.54 0.55 0.02 -2.02 -2.47 113.55 110.13 2fe9 h SER 84 Ca 0.00 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.78 2fe9 h SER 84 Cb 0.01 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2fe9 h SER 84 CO 0.00 0.88 0.16 0.00 -1.14 0.00 0.00 176.83 176.73 2fe9 h ALA 85 N 1.27 0.70 0.00 3.77 0.00 -1.49 -3.51 119.26 120.01 2fe9 h ALA 85 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2fe9 h ALA 85 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2fe9 h ALA 85 CO -0.03 0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.25