#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 5.94 -0.05 4.04 4.22 -1.26 -4.95 114.94 122.89 2fe9 s ASN 2 Ca 0.00 -0.06 0.09 0.00 -2.14 0.00 0.00 52.86 50.75 2fe9 s ASN 2 Cb 0.00 -2.10 0.34 0.00 1.28 0.00 0.00 41.25 40.77 2fe9 s ASN 2 CO 0.00 -0.06 1.19 -1.54 -2.04 0.00 0.00 177.10 174.64 2fe9 n SER 3 N 5.05 2.43 -4.76 3.54 3.41 -1.26 -3.26 113.62 118.77 2fe9 n SER 3 Ca -0.14 -2.18 -0.39 0.00 -0.26 0.00 0.00 58.87 55.90 2fe9 n SER 3 Cb 0.52 -0.38 0.02 0.00 -0.26 0.00 0.00 64.21 64.11 2fe9 n SER 3 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2fe9 s SER 4 N -0.74 5.64 -1.19 4.04 0.01 -1.26 -4.80 113.70 115.40 2fe9 s SER 4 Ca 0.24 2.73 -0.16 0.00 1.31 0.00 0.00 55.95 60.07 2fe9 s SER 4 Cb 0.15 -2.64 0.13 0.00 0.21 0.00 0.00 66.02 63.87 2fe9 s SER 4 CO 0.12 -1.32 1.49 -0.04 0.41 0.00 0.00 173.24 173.91 2fe9 s MET 5 N -2.70 3.98 -0.40 12.44 -1.94 -1.26 -4.39 119.30 125.03 2fe9 s MET 5 Ca 0.66 -2.23 -0.27 0.00 -1.71 0.00 0.00 55.69 52.14 2fe9 s MET 5 Cb -0.39 -5.21 -0.04 0.00 2.01 0.00 0.00 34.83 31.20 2fe9 s MET 5 CO 0.48 -1.94 2.02 -0.80 -0.01 0.00 0.00 175.02 174.77 2fe9 s ASN 6 N 3.47 5.37 0.15 3.03 -0.87 -1.26 -4.83 114.94 119.99 2fe9 s ASN 6 Ca 0.45 1.17 0.15 0.00 -1.57 0.00 0.00 52.86 53.05 2fe9 s ASN 6 Cb -0.01 -2.52 0.68 0.00 -0.02 0.00 0.00 41.25 39.39 2fe9 s ASN 6 CO 0.01 -2.15 1.45 -2.65 -2.57 0.00 0.00 177.10 171.19 2fe9 n PRO 7 N 8.78 0.08 -0.07 -0.60 -0.02 -1.26 -0.64 135.00 141.27 2fe9 n PRO 7 Ca 0.27 0.46 -0.11 0.00 -2.02 0.00 0.00 63.50 62.10 2fe9 n PRO 7 Cb 0.49 -1.71 -0.10 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.00 0.04 -0.52 6.56 -1.96 -3.27 116.57 117.43 2fe9 h LYS 8 Ca 0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 2fe9 h LYS 8 Cb 0.14 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2fe9 h LYS 8 CO 0.00 0.79 -1.07 0.77 -2.06 0.00 0.00 179.45 177.88 2fe9 h SER 9 N -1.00 0.69 0.24 0.86 0.02 -1.87 -3.04 113.55 109.46 2fe9 h SER 9 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2fe9 h SER 9 Cb 0.80 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2fe9 h SER 9 CO 0.00 1.41 0.00 0.18 -1.14 0.00 0.00 176.83 177.28 2fe9 n LEU 10 N -3.76 0.00 -0.23 5.07 4.77 0.18 -1.79 117.00 121.25 2fe9 n LEU 10 Ca -0.10 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.32 2fe9 n LEU 10 Cb 0.90 -0.37 0.09 0.00 -2.33 0.00 0.00 43.42 41.72 2fe9 n LEU 10 CO 0.54 -0.25 0.46 0.35 -1.33 0.00 0.00 177.39 177.16 2fe9 n THR 11 N -1.37 1.26 -3.81 -5.08 -2.24 -1.19 -4.65 114.28 97.20 2fe9 n THR 11 Ca 0.04 -1.53 -0.37 0.00 -2.27 0.00 0.00 64.05 59.93 2fe9 n THR 11 Cb 0.09 0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.26 4.94 0.66 3.42 2.15 -0.74 -4.58 116.67 120.26 2fe9 s ASP 12 Ca 0.22 -0.75 0.11 0.00 0.43 0.00 0.00 52.55 52.55 2fe9 s ASP 12 Cb 0.19 -1.83 0.55 0.00 -0.30 0.00 0.00 42.92 41.53 2fe9 s ASP 12 CO 0.02 -0.18 1.30 -0.65 -0.17 0.00 0.00 175.17 175.49 2fe9 h PRO 13 N 8.18 0.00 0.62 4.34 0.11 -1.90 0.31 132.00 143.66 2fe9 h PRO 13 Ca -0.32 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 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 0.60 0.00 -0.34 -0.22 -0.21 0.00 0.00 178.00 177.82 2fe9 h LYS 14 N 0.00 -0.86 -0.17 1.05 3.11 -1.93 0.14 116.57 117.91 2fe9 h LYS 14 Ca 0.03 0.06 -0.12 0.00 -2.81 0.00 0.00 60.65 57.81 2fe9 h LYS 14 Cb 1.65 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 33.08 2fe9 h LYS 14 CO -0.00 -0.58 -0.36 -0.07 -2.81 0.00 0.00 179.45 175.64 2fe9 h LEU 15 N -0.90 0.60 -0.59 5.20 -0.00 -1.19 -2.46 115.31 115.98 2fe9 h LEU 15 Ca -0.08 -0.56 0.09 0.00 -0.00 0.00 0.00 57.88 57.33 2fe9 h LEU 15 Cb 0.71 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 41.13 2fe9 h LEU 15 CO 0.10 1.05 0.22 -0.07 -0.00 0.00 0.00 178.44 179.75 2fe9 h LEU 16 N 0.18 0.22 -0.93 1.67 3.38 -1.38 0.18 115.31 118.64 2fe9 h LEU 16 Ca 0.00 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2fe9 h LEU 16 Cb 0.96 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2fe9 h LEU 16 CO 0.08 0.14 -0.24 0.11 0.09 0.00 0.00 178.44 178.61 2fe9 h LYS 17 N 0.40 0.00 -2.35 1.13 1.57 -0.75 -3.30 116.57 113.27 2fe9 h LYS 17 Ca 0.30 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.43 2fe9 h LYS 17 Cb 0.36 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.28 2fe9 h LYS 17 CO -0.30 0.24 -0.28 -1.71 -0.57 0.00 0.00 179.45 176.84 2fe9 n ASN 18 N -3.35 4.38 -0.32 0.86 5.15 0.57 -4.95 115.26 117.61 2fe9 n ASN 18 Ca 0.01 -3.44 0.03 0.00 -0.60 0.00 0.00 54.58 50.57 2fe9 n ASN 18 Cb 0.47 -0.80 0.10 0.00 -0.53 0.00 0.00 39.78 39.02 2fe9 n ASN 18 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2fe9 h ILE 19 N 3.22 0.10 -0.90 -1.44 1.08 -1.44 0.69 117.51 118.82 2fe9 h ILE 19 Ca 0.20 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.91 2fe9 h ILE 19 Cb 0.65 0.10 -0.14 0.00 -3.07 0.00 0.00 36.82 34.36 2fe9 h ILE 19 CO 0.95 0.00 0.34 -0.65 -0.69 0.00 0.00 178.15 178.10 2fe9 h PRO 20 N -0.01 0.28 -0.19 2.37 0.11 -1.84 0.39 132.00 133.10 2fe9 h PRO 20 Ca 0.41 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.35 2fe9 h PRO 20 Cb 0.64 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2fe9 h PRO 20 CO -0.91 0.19 -0.47 1.98 -0.21 0.00 0.00 178.00 178.57 2fe9 h MET 21 N 0.29 0.66 -0.90 1.05 4.05 -0.08 -2.62 114.93 117.37 2fe9 h MET 21 Ca 0.58 -0.45 0.17 0.00 -0.28 0.00 0.00 59.70 59.72 2fe9 h MET 21 Cb 1.17 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.97 2fe9 h MET 21 CO -0.60 1.07 0.58 2.35 0.23 0.00 0.00 176.91 180.54 2fe9 h TRP 22 N 0.35 0.73 0.00 1.39 7.01 0.29 0.38 115.95 126.10 2fe9 h TRP 22 Ca -0.01 0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.91 2fe9 h TRP 22 Cb 1.09 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.90 2fe9 h TRP 22 CO 0.09 0.23 -0.50 -0.07 -2.79 0.00 0.00 178.44 175.40 2fe9 h LEU 23 N 0.58 0.00 -0.94 0.65 3.38 -0.29 -3.10 115.31 115.59 2fe9 h LEU 23 Ca 0.47 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.53 2fe9 h LEU 23 Cb 0.91 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 2fe9 h LEU 23 CO -0.21 0.50 0.59 0.50 0.09 0.00 0.00 178.44 179.90 2fe9 h LYS 24 N 0.00 0.96 0.00 1.13 3.11 0.13 1.54 116.57 123.44 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 1.08 -0.22 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 2fe9 h LYS 24 CO 0.07 0.64 0.00 0.43 -2.81 0.00 0.00 179.45 177.77 2fe9 n SER 25 N -4.62 0.75 -0.44 4.20 7.64 -1.15 -1.90 113.62 118.10 2fe9 n SER 25 Ca 0.16 0.66 0.04 0.00 1.01 0.00 0.00 58.87 60.73 2fe9 n SER 25 Cb 0.27 -0.82 0.11 0.00 -1.01 0.00 0.00 64.21 62.75 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 -2.29 2.66 0.00 -3.43 4.77 0.14 -4.30 117.00 114.55 2fe9 n LEU 26 Ca 0.03 -2.06 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 2fe9 n LEU 26 Cb 0.28 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2fe9 n LEU 26 CO 0.22 0.66 0.00 -2.11 -1.33 0.00 0.00 177.39 174.83 2fe9 n ARG 27 N 0.12 -0.06 -0.35 3.23 -4.01 0.48 -4.29 116.66 111.78 2fe9 n ARG 27 Ca 0.08 0.01 -0.04 0.00 -1.04 0.00 0.00 57.85 56.87 2fe9 n ARG 27 Cb 0.39 -3.35 0.09 0.00 -3.04 0.00 0.00 32.46 26.55 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 0.00 3.52 0.15 2.89 4.77 -0.45 -4.00 117.00 123.88 2fe9 n LEU 28 Ca 0.00 -1.81 0.10 0.00 -0.03 0.00 0.00 56.01 54.27 2fe9 n LEU 28 Cb 0.01 -0.59 0.52 0.00 -2.33 0.00 0.00 43.42 41.03 2fe9 n LEU 28 CO 0.00 0.55 0.81 0.00 -1.33 0.00 0.00 177.39 177.42 2fe9 n HIS 29 N 0.07 0.65 -0.23 -1.77 1.44 -1.21 0.05 115.22 114.22 2fe9 n HIS 29 Ca 0.15 0.34 0.02 0.00 -2.01 0.00 0.00 57.72 56.22 2fe9 n HIS 29 Cb 0.75 -1.02 0.14 0.00 0.12 0.00 0.00 29.99 29.98 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 0.47 -1.07 -1.40 2.10 -1.92 0.12 116.57 114.87 2fe9 h LYS 30 Ca 0.00 -0.03 -0.50 0.00 -2.00 0.00 0.00 60.65 58.12 2fe9 h LYS 30 Cb 0.09 -0.11 -0.25 0.00 -0.90 0.00 0.00 32.23 31.06 2fe9 h LYS 30 CO 0.00 0.31 0.65 0.66 -2.00 0.00 0.00 179.45 179.07 2fe9 n TYR 31 N -4.95 2.67 -0.04 0.07 4.01 0.11 -4.48 117.16 114.55 2fe9 n TYR 31 Ca 0.11 -2.16 -0.14 0.00 -0.16 0.00 0.00 57.90 55.55 2fe9 n TYR 31 Cb 0.31 -1.07 -0.08 0.00 -0.31 0.00 0.00 39.34 38.19 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 1.32 0.42 -0.84 7.72 4.64 -0.77 -1.20 113.55 124.84 2fe9 h SER 32 Ca 0.53 -0.60 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2fe9 h SER 32 Cb 1.76 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 63.69 2fe9 h SER 32 CO 1.14 0.94 0.52 0.44 -0.87 0.00 0.00 176.83 179.00 2fe9 h ASP 33 N -0.08 1.01 1.12 4.97 5.19 -1.78 1.15 116.42 127.99 2fe9 h ASP 33 Ca -0.01 -0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.19 2fe9 h ASP 33 Cb 0.90 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 2fe9 h ASP 33 CO 0.06 0.77 -0.76 0.00 -3.12 0.00 0.00 179.24 176.19 2fe9 h ALA 34 N 1.40 0.56 0.00 3.45 0.00 -1.86 -3.32 119.26 119.49 2fe9 h ALA 34 Ca 0.31 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2fe9 h ALA 34 Cb -0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2fe9 h ALA 34 CO -0.06 0.95 -1.29 1.28 0.00 0.00 0.00 179.25 180.13 2fe9 n LEU 35 N -3.36 0.57 -0.14 0.00 4.32 -0.46 -4.42 117.00 113.51 2fe9 n LEU 35 Ca 0.01 -0.31 -0.10 0.00 -0.02 0.00 0.00 56.01 55.58 2fe9 n LEU 35 Cb 0.81 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.60 2fe9 n LEU 35 CO 0.44 0.14 0.81 -1.28 -1.22 0.00 0.00 177.39 176.28 2fe9 h SER 36 N 0.00 0.68 0.00 -1.43 0.87 0.13 -2.00 113.55 111.79 2fe9 h SER 36 Ca 0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2fe9 h SER 36 Cb 0.63 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2fe9 h SER 36 CO 0.00 0.79 0.26 1.23 -0.53 0.00 0.00 176.83 178.58 2fe9 h GLY 37 N 0.54 0.00 -6.38 5.77 0.00 -1.77 -3.38 103.07 97.85 2fe9 h GLY 37 Ca 0.12 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.81 2fe9 h GLY 37 CO 0.01 0.00 -0.67 -1.59 0.00 0.00 0.00 176.54 174.30 2fe9 s THR 38 N -3.98 3.88 1.32 4.70 2.01 -0.75 -5.12 115.64 117.70 2fe9 s THR 38 Ca -0.03 -0.34 -0.22 0.00 0.31 0.00 0.00 61.69 61.41 2fe9 s THR 38 Cb 0.09 -2.74 0.33 0.00 0.01 0.00 0.00 72.50 70.19 2fe9 s THR 38 CO 0.27 0.45 1.04 -2.16 -0.69 0.00 0.00 174.62 173.52 2fe9 s PRO 39 N 0.87 -2.14 -0.03 4.92 0.04 -1.26 -4.66 135.00 132.74 2fe9 s PRO 39 Ca 0.00 -0.07 -0.25 0.00 0.04 0.00 0.00 61.00 60.72 2fe9 s PRO 39 Cb -0.14 -1.49 -0.21 0.00 0.04 0.00 0.00 34.50 32.70 2fe9 s PRO 39 CO 0.02 -4.32 1.17 0.11 0.04 0.00 0.00 177.00 174.02 2fe9 h TRP 40 N -3.01 0.12 -0.49 0.56 5.08 -1.94 0.45 115.95 116.72 2fe9 h TRP 40 Ca -0.42 -0.05 0.14 0.00 1.08 0.00 0.00 58.89 59.64 2fe9 h TRP 40 Cb 1.31 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.43 2fe9 h TRP 40 CO -2.98 0.68 0.61 0.97 -1.28 0.00 0.00 178.44 176.44 2fe9 h ILE 41 N -0.48 0.24 0.00 0.12 6.09 -1.92 0.48 117.51 122.04 2fe9 h ILE 41 Ca -0.00 0.00 -0.39 0.00 -1.37 0.00 0.00 64.86 63.10 2fe9 h ILE 41 Cb 0.68 0.49 -0.07 0.00 0.47 0.00 0.00 36.82 38.39 2fe9 h ILE 41 CO 0.01 0.00 -2.46 -0.62 -3.07 0.00 0.00 178.15 172.02 2fe9 n GLU 42 N -3.48 0.66 0.30 2.19 1.02 -1.16 -4.04 120.64 116.13 2fe9 n GLU 42 Ca 0.09 0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 57.17 2fe9 n GLU 42 Cb 0.80 -1.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.28 -0.58 -4.62 7.12 0.29 0.16 115.31 116.40 2fe9 h LEU 43 Ca -0.57 0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.54 2fe9 h LEU 43 Cb 1.98 0.42 0.00 0.00 -0.53 0.00 0.00 40.66 42.52 2fe9 h LEU 43 CO -0.06 -0.65 0.09 2.30 -0.13 0.00 0.00 178.44 179.99 2fe9 n ILE 44 N -5.55 1.33 0.47 4.05 -5.35 0.14 -0.18 119.36 114.27 2fe9 n ILE 44 Ca -0.12 0.61 0.09 0.00 -0.27 0.00 0.00 62.75 63.07 2fe9 n ILE 44 Cb 0.45 -1.61 -0.13 0.00 -1.74 0.00 0.00 39.64 36.61 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 -1.78 0.00 -0.10 4.28 4.02 -0.03 -4.52 117.16 119.03 2fe9 n TYR 45 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2fe9 n TYR 45 Cb 0.10 -0.20 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.77 0.00 -3.94 7.72 4.77 0.75 -5.06 117.00 119.46 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 0.39 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2fe9 n LEU 46 CO 0.39 -0.91 0.33 -1.81 -1.33 0.00 0.00 177.39 174.06 2fe9 s ASP 47 N -1.82 0.22 0.18 -1.43 1.01 -1.26 -5.02 116.67 108.55 2fe9 s ASP 47 Ca 0.00 -1.13 -0.21 0.00 0.71 0.00 0.00 52.55 51.92 2fe9 s ASP 47 Cb 0.00 0.72 0.10 0.00 1.01 0.00 0.00 42.92 44.75 2fe9 s ASP 47 CO 0.00 -1.41 1.60 -0.78 0.21 0.00 0.00 175.17 174.79 2fe9 h ASP 48 N 2.09 -0.98 0.33 0.27 1.82 -1.94 -1.05 116.42 116.95 2fe9 h ASP 48 Ca -0.28 0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.55 2fe9 h ASP 48 Cb 1.25 0.49 -0.02 0.00 0.68 0.00 0.00 39.33 41.72 2fe9 h ASP 48 CO 0.37 -0.29 -0.39 -0.08 -1.61 0.00 0.00 179.24 177.23 2fe9 h GLU 49 N -0.19 -0.71 -0.71 0.28 4.81 -1.96 -2.68 114.58 113.42 2fe9 h GLU 49 Ca 0.20 0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.64 2fe9 h GLU 49 Cb 0.52 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 29.94 2fe9 h GLU 49 CO -0.57 -0.47 0.02 1.15 -0.73 0.00 0.00 179.01 178.40 2fe9 h THR 50 N -0.74 0.40 -1.00 0.32 2.02 -1.88 0.32 112.91 112.35 2fe9 h THR 50 Ca -0.04 -0.04 0.19 0.00 0.77 0.00 0.00 66.41 67.28 2fe9 h THR 50 Cb 0.66 0.27 -0.10 0.00 -1.74 0.00 0.00 68.15 67.23 2fe9 h THR 50 CO -0.08 0.02 0.61 -0.07 0.37 0.00 0.00 175.52 176.37 2fe9 h LEU 51 N 0.12 0.78 -0.54 2.58 3.38 -0.99 0.37 115.31 121.01 2fe9 h LEU 51 Ca 0.38 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.34 2fe9 h LEU 51 Cb 0.66 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2fe9 h LEU 51 CO -0.61 0.29 -0.06 -0.08 0.09 0.00 0.00 178.44 178.07 2fe9 h GLU 52 N 0.76 1.00 -0.46 1.13 4.81 -0.08 0.34 114.58 122.07 2fe9 h GLU 52 Ca 0.57 -0.35 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 2fe9 h GLU 52 Cb 0.89 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2fe9 h GLU 52 CO -0.36 1.02 0.31 0.87 -0.73 0.00 0.00 179.01 180.13 2fe9 h LYS 53 N 0.87 0.38 0.14 1.92 1.79 0.75 -3.04 116.57 119.38 2fe9 h LYS 53 Ca 0.15 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2fe9 h LYS 53 Cb 0.61 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2fe9 h LYS 53 CO 0.04 0.25 -0.07 0.87 -1.08 0.00 0.00 179.45 179.46 2fe9 h LYS 54 N 0.39 -0.18 0.00 3.15 1.79 -0.80 -3.48 116.57 117.44 2fe9 h LYS 54 Ca 0.20 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 2fe9 h LYS 54 Cb 0.31 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2fe9 h LYS 54 CO -0.05 -0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.61 2fe9 n GLY 55 N 1.26 0.03 3.58 3.86 0.00 -0.72 -4.80 105.19 108.40 2fe9 n GLY 55 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 3.34 -0.54 1.61 1.01 0.11 -4.70 120.40 121.23 2fe9 s VAL 56 Ca 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.47 2fe9 s VAL 56 Cb 0.00 -4.29 0.35 0.00 0.00 0.00 0.00 36.38 32.44 2fe9 s VAL 56 CO 0.00 -0.63 1.15 0.18 0.00 0.00 0.00 175.10 175.80 2fe9 n LEU 57 N 16.39 3.53 -4.18 3.92 4.32 -1.26 -3.00 117.00 136.72 2fe9 n LEU 57 Ca 0.43 -1.81 -0.35 0.00 -0.02 0.00 0.00 56.01 54.26 2fe9 n LEU 57 Cb 0.47 -0.60 -0.13 0.00 -1.62 0.00 0.00 43.42 41.53 2fe9 n LEU 57 CO 0.64 0.50 -0.32 0.00 -1.22 0.00 0.00 177.39 176.99 2fe9 s ALA 58 N -1.71 2.88 0.55 -1.18 0.00 -1.26 -4.94 121.76 116.10 2fe9 s ALA 58 Ca 0.25 -1.84 0.31 0.00 0.00 0.00 0.00 51.96 50.68 2fe9 s ALA 58 Cb 0.19 -2.03 1.47 0.00 0.00 0.00 0.00 23.12 22.75 2fe9 s ALA 58 CO 0.07 -1.34 1.88 -0.07 0.00 0.00 0.00 175.76 176.30 2fe9 h LEU 59 N 8.03 0.00 -0.02 0.00 -0.00 -1.99 0.38 115.31 121.71 2fe9 h LEU 59 Ca -0.20 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.46 2fe9 h LEU 59 Cb 1.06 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.74 2fe9 h LEU 59 CO 0.56 0.00 -0.83 1.23 -0.00 0.00 0.00 178.44 179.39 2fe9 h GLY 60 N 0.00 0.67 0.30 0.83 0.00 -1.97 -3.08 103.07 99.82 2fe9 h GLY 60 Ca 0.38 -1.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.56 2fe9 h GLY 60 CO -0.00 1.01 -0.04 0.00 0.00 0.00 0.00 176.54 177.50 2fe9 h ALA 61 N 0.39 -0.11 0.73 3.60 0.00 -0.78 -3.11 119.26 119.97 2fe9 h ALA 61 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 2fe9 h ALA 61 Cb 1.51 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.35 2fe9 h ALA 61 CO 0.17 -0.21 -0.35 0.07 0.00 0.00 0.00 179.25 178.92 2fe9 h ARG 62 N -0.81 -0.94 -0.48 0.00 0.11 -0.97 0.43 114.38 111.72 2fe9 h ARG 62 Ca -0.01 0.06 0.14 0.00 0.10 0.00 0.00 59.98 60.27 2fe9 h ARG 62 Cb 0.60 0.21 -0.02 0.00 1.11 0.00 0.00 29.97 31.87 2fe9 h ARG 62 CO 0.02 -0.63 0.63 0.00 0.10 0.00 0.00 179.97 180.09 2fe9 h ARG 63 N -1.20 0.00 0.17 0.08 3.08 -1.72 0.36 114.38 115.14 2fe9 h ARG 63 Ca -0.10 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.71 2fe9 h ARG 63 Cb 0.75 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.82 2fe9 h ARG 63 CO 0.16 0.00 -1.03 -0.22 -1.07 0.00 0.00 179.97 177.81 2fe9 h LYS 64 N 0.00 0.40 -0.21 0.04 1.63 -1.38 -3.24 116.57 113.81 2fe9 h LYS 64 Ca 0.23 -0.66 0.06 0.00 -0.85 0.00 0.00 60.65 59.43 2fe9 h LYS 64 Cb 1.48 0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 33.35 2fe9 h LYS 64 CO -0.00 1.31 0.28 -0.07 -3.45 0.00 0.00 179.45 177.51 2fe9 h LEU 65 N -0.15 0.00 -2.67 5.20 3.38 0.19 0.30 115.31 121.56 2fe9 h LEU 65 Ca -0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2fe9 h LEU 65 Cb 1.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.55 2fe9 h LEU 65 CO 0.19 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.65 2fe9 h LEU 66 N 0.00 0.00 -0.06 1.67 3.38 -1.49 0.11 115.31 118.91 2fe9 h LEU 66 Ca 0.10 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.82 2fe9 h LEU 66 Cb 0.66 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.42 2fe9 h LEU 66 CO -0.00 0.01 -0.99 0.11 0.09 0.00 0.00 178.44 177.66 2fe9 h LYS 67 N 0.00 0.64 -0.15 1.13 1.57 -0.59 -3.12 116.57 116.06 2fe9 h LYS 67 Ca -0.00 -0.67 -0.18 0.00 -1.87 0.00 0.00 60.65 57.93 2fe9 h LYS 67 Cb 0.06 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2fe9 h LYS 67 CO 0.00 1.27 -0.65 0.00 -0.57 0.00 0.00 179.45 179.50 2fe9 h ALA 68 N 0.50 0.59 -0.89 3.86 0.00 -1.10 -3.01 119.26 119.21 2fe9 h ALA 68 Ca -0.11 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.31 2fe9 h ALA 68 Cb 1.64 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 2fe9 h ALA 68 CO 0.19 0.71 0.55 0.74 0.00 0.00 0.00 179.25 181.45 2fe9 h PHE 69 N 0.41 1.02 0.06 0.00 0.04 -0.91 -2.26 116.94 115.29 2fe9 h PHE 69 Ca -0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2fe9 h PHE 69 Cb 1.22 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 39.04 2fe9 h PHE 69 CO 0.05 0.50 -0.03 0.78 -0.60 0.00 0.00 178.31 179.01 2fe9 h GLY 70 N 0.99 -0.08 0.63 -1.45 0.00 -1.52 -2.37 103.07 99.27 2fe9 h GLY 70 Ca 0.40 0.03 0.15 0.00 0.00 0.00 0.00 47.33 47.91 2fe9 h GLY 70 CO -0.19 -0.03 0.52 -2.22 0.00 0.00 0.00 176.54 174.62 2fe9 h ILE 71 N -0.76 0.79 -0.13 2.60 2.04 -1.47 0.48 117.51 121.07 2fe9 h ILE 71 Ca -0.01 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2fe9 h ILE 71 Cb 0.62 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2fe9 h ILE 71 CO 0.01 0.08 -0.25 0.58 0.00 0.00 0.00 178.15 178.58 2fe9 h VAL 72 N 0.46 1.37 0.36 1.67 2.07 -1.45 -2.82 116.25 117.91 2fe9 h VAL 72 Ca 0.39 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2fe9 h VAL 72 Cb 0.85 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2fe9 h VAL 72 CO -0.14 0.44 -0.29 0.40 0.02 0.00 0.00 177.57 178.01 2fe9 h ILE 73 N -0.02 0.39 -0.09 4.57 2.04 -0.56 0.31 117.51 124.16 2fe9 h ILE 73 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.91 2fe9 h ILE 73 Cb 0.83 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 2fe9 h ILE 73 CO 0.05 0.00 -0.38 -0.78 0.00 0.00 0.00 178.15 177.05 2fe9 h ASP 74 N -0.66 -1.17 -0.12 1.72 3.58 -1.06 1.32 116.42 120.02 2fe9 h ASP 74 Ca -0.03 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2fe9 h ASP 74 Cb 0.57 0.48 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2fe9 h ASP 74 CO -0.01 -0.41 0.07 1.88 -2.88 0.00 0.00 179.24 177.88 2fe9 h TYR 75 N -0.48 0.18 -0.12 0.28 0.05 -1.41 0.51 116.97 115.97 2fe9 h TYR 75 Ca 0.07 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.73 2fe9 h TYR 75 Cb 0.60 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.27 2fe9 h TYR 75 CO -0.43 0.13 -0.49 -0.22 -1.05 0.00 0.00 178.16 176.10 2fe9 h LYS 76 N 0.19 0.30 0.00 4.88 3.64 0.18 0.32 116.57 126.08 2fe9 h LYS 76 Ca 0.05 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 2fe9 h LYS 76 Cb 0.02 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2fe9 h LYS 76 CO -0.01 0.73 -0.59 0.93 -2.27 0.00 0.00 179.45 178.24 2fe9 h GLU 77 N 0.24 0.00 -0.56 1.90 5.08 0.48 -3.06 114.58 118.66 2fe9 h GLU 77 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2fe9 h GLU 77 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2fe9 h GLU 77 CO 0.08 0.59 0.00 0.54 -1.00 0.00 0.00 179.01 179.22 2fe9 n ARG 78 N -3.45 2.52 -1.78 2.33 1.74 0.15 -4.88 116.66 113.29 2fe9 n ARG 78 Ca 0.00 -1.75 -0.19 0.00 -0.77 0.00 0.00 57.85 55.15 2fe9 n ARG 78 Cb 0.69 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 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 0.68 -5.16 -0.03 0.55 2.03 -1.08 -4.81 116.55 108.73 2fe9 n ASP 79 Ca 0.16 0.36 0.14 0.00 0.52 0.00 0.00 54.79 55.97 2fe9 n ASP 79 Cb 0.54 -4.52 0.68 0.00 -0.72 0.00 0.00 41.12 37.11 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 -2.45 0.16 -4.44 -2.67 4.32 0.11 -4.73 117.00 107.31 2fe9 n LEU 80 Ca -0.20 0.21 -0.33 0.00 -0.02 0.00 0.00 56.01 55.67 2fe9 n LEU 80 Cb 0.64 -0.27 -0.13 0.00 -1.62 0.00 0.00 43.42 42.03 2fe9 n LEU 80 CO 0.28 0.03 -0.42 -0.63 -1.22 0.00 0.00 177.39 175.44 2fe9 s ILE 81 N -2.60 3.33 0.25 -0.08 1.01 -1.18 -4.95 121.20 116.98 2fe9 s ILE 81 Ca 0.27 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 60.03 2fe9 s ILE 81 Cb 0.20 -2.40 -0.13 0.00 0.01 0.00 0.00 42.46 40.14 2fe9 s ILE 81 CO 0.48 0.53 1.52 -0.67 0.00 0.00 0.00 174.94 176.80 2fe9 n ASP 82 N 3.27 3.27 0.09 3.58 -0.08 -1.26 -4.82 116.55 120.60 2fe9 n ASP 82 Ca -0.18 1.13 0.07 0.00 -1.51 0.00 0.00 54.79 54.30 2fe9 n ASP 82 Cb 0.53 -1.50 0.35 0.00 2.34 0.00 0.00 41.12 42.84 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 2.39 0.09 -0.13 -0.67 5.12 -1.26 -1.34 116.66 120.86 2fe9 n ARG 83 Ca 0.12 0.54 -0.04 0.00 -1.93 0.00 0.00 57.85 56.54 2fe9 n ARG 83 Cb 0.33 -1.76 0.15 0.00 -1.16 0.00 0.00 32.46 30.02 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 0.81 -0.77 0.55 0.02 -2.02 -2.61 113.55 109.53 2fe9 h SER 84 Ca 0.00 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2fe9 h SER 84 Cb 0.05 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 2fe9 h SER 84 CO 0.00 0.84 0.45 0.00 -1.14 0.00 0.00 176.83 176.98 2fe9 h ALA 85 N 1.25 0.98 0.00 3.77 0.00 -1.54 -3.50 119.26 120.23 2fe9 h ALA 85 Ca 0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2fe9 h ALA 85 Cb 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2fe9 h ALA 85 CO 0.01 0.47 0.00 0.66 0.00 0.00 0.00 179.25 180.39