#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul7 s SER 2 N 0.00 3.84 -0.28 1.61 0.15 -1.26 -5.11 113.70 112.65 1ul7 s SER 2 Ca 0.00 0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.55 1ul7 s SER 2 Cb 0.00 -0.36 0.08 0.00 -1.71 0.00 0.00 66.02 64.02 1ul7 s SER 2 CO 0.00 -2.23 0.70 -0.94 1.20 0.00 0.00 173.24 171.97 1ul7 s SER 3 N -4.77 -0.86 -1.02 5.45 1.04 -1.26 -5.10 113.70 107.18 1ul7 s SER 3 Ca 0.69 1.49 -0.14 0.00 0.48 0.00 0.00 55.95 58.46 1ul7 s SER 3 Cb -0.06 1.42 0.20 0.00 0.10 0.00 0.00 66.02 67.68 1ul7 s SER 3 CO 0.49 -0.24 1.12 -0.83 0.98 0.00 0.00 173.24 174.75 1ul7 s GLY 4 N 1.09 2.53 0.12 7.32 0.00 -1.26 -5.01 107.32 112.12 1ul7 s GLY 4 Ca -0.06 -3.31 0.09 0.00 0.00 0.00 0.00 44.72 41.44 1ul7 s GLY 4 CO -0.11 1.69 -0.15 -0.56 0.00 0.00 0.00 173.10 173.97 1ul7 s SER 5 N 2.54 4.04 -0.33 1.64 0.01 -1.26 -5.11 113.70 115.23 1ul7 s SER 5 Ca 0.31 -0.53 -0.11 0.00 1.31 0.00 0.00 55.95 56.94 1ul7 s SER 5 Cb -0.07 -0.63 -0.01 0.00 0.21 0.00 0.00 66.02 65.53 1ul7 s SER 5 CO -0.06 0.17 0.19 -0.94 0.41 0.00 0.00 173.24 173.01 1ul7 s SER 6 N -2.25 5.77 0.00 2.44 1.04 -1.26 -4.79 113.70 114.65 1ul7 s SER 6 Ca 0.20 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1ul7 s SER 6 Cb -0.10 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.96 1ul7 s SER 6 CO 0.12 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1ul7 n GLY 7 N 5.03 -1.55 3.65 7.32 0.00 -1.26 -5.11 105.19 113.28 1ul7 n GLY 7 Ca -0.13 0.56 -0.47 0.00 0.00 0.00 0.00 46.02 45.98 1ul7 n GLY 7 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ul7 n ARG 8 N 0.00 2.20 -2.70 1.61 3.00 -1.26 -4.88 116.66 114.62 1ul7 n ARG 8 Ca 0.00 0.77 -0.42 0.00 -0.00 0.00 0.00 57.85 58.20 1ul7 n ARG 8 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 32.46 29.67 1ul7 n ARG 8 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ul7 s PHE 9 N 4.96 2.83 0.05 -0.14 0.40 -1.26 -4.96 117.98 119.86 1ul7 s PHE 9 Ca 0.95 -1.24 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 1ul7 s PHE 9 Cb -0.61 -4.55 -0.02 0.00 0.51 0.00 0.00 43.02 38.34 1ul7 s PHE 9 CO 0.48 -1.74 -0.13 0.99 0.70 0.00 0.00 175.22 175.52 1ul7 s THR 10 N 3.90 1.01 -1.01 0.64 2.01 -1.26 -5.08 115.64 115.84 1ul7 s THR 10 Ca 0.43 -1.08 -0.23 0.00 0.31 0.00 0.00 61.69 61.12 1ul7 s THR 10 Cb -0.01 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.58 1ul7 s THR 10 CO -0.06 -0.12 1.59 0.26 -0.69 0.00 0.00 174.62 175.60 1ul7 s TRP 11 N -1.04 2.36 0.07 4.92 0.52 -1.26 -4.94 118.94 119.58 1ul7 s TRP 11 Ca -0.01 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 55.63 1ul7 s TRP 11 Cb -0.09 -4.53 -0.03 0.00 -1.15 0.00 0.00 33.47 27.67 1ul7 s TRP 11 CO 0.01 -1.87 -0.09 -1.54 0.02 0.00 0.00 176.95 173.48 1ul7 s SER 12 N 5.69 1.17 -0.07 2.95 1.04 -1.26 -4.86 113.70 118.36 1ul7 s SER 12 Ca 0.53 -0.71 -0.31 0.00 0.48 0.00 0.00 55.95 55.93 1ul7 s SER 12 Cb -0.01 0.03 0.11 0.00 0.10 0.00 0.00 66.02 66.25 1ul7 s SER 12 CO -0.06 -0.25 1.00 -0.32 0.98 0.00 0.00 173.24 174.58 1ul7 s MET 13 N -2.34 0.65 -0.11 4.02 0.00 -1.26 -5.06 119.30 115.20 1ul7 s MET 13 Ca -0.01 -0.24 -0.23 0.00 0.00 0.00 0.00 55.69 55.21 1ul7 s MET 13 Cb -0.05 0.30 -0.20 0.00 0.00 0.00 0.00 34.83 34.87 1ul7 s MET 13 CO -0.00 -0.28 0.71 0.87 0.00 0.00 0.00 175.02 176.31 1ul7 h LYS 14 N 2.00 -0.03 -5.30 4.11 1.57 -2.00 -3.43 116.57 113.50 1ul7 h LYS 14 Ca -0.18 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.31 1ul7 h LYS 14 Cb 1.22 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 1ul7 h LYS 14 CO 0.28 0.70 1.20 2.41 -0.57 0.00 0.00 179.45 183.47 1ul7 n THR 15 N -4.70 -0.03 -4.61 -0.16 -1.04 -1.26 -4.89 114.28 97.59 1ul7 n THR 15 Ca -0.08 -0.51 -0.33 0.00 -2.04 0.00 0.00 64.05 61.09 1ul7 n THR 15 Cb 0.36 -1.61 -0.14 0.00 -1.82 0.00 0.00 70.33 67.12 1ul7 n THR 15 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ul7 s THR 16 N 10.27 3.26 0.23 12.58 -4.23 -1.26 -4.13 115.64 132.37 1ul7 s THR 16 Ca 1.09 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.08 1ul7 s THR 16 Cb -0.48 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 70.93 1ul7 s THR 16 CO 0.30 0.51 0.24 -0.55 -0.54 0.00 0.00 174.62 174.58 1ul7 s SER 17 N 0.45 5.80 -0.15 3.99 0.15 -0.38 -5.02 113.70 118.54 1ul7 s SER 17 Ca -0.08 -0.12 -0.09 0.00 0.70 0.00 0.00 55.95 56.36 1ul7 s SER 17 Cb -0.15 -1.57 -0.06 0.00 -1.71 0.00 0.00 66.02 62.52 1ul7 s SER 17 CO 0.04 -0.03 -0.21 -1.54 1.20 0.00 0.00 173.24 172.70 1ul7 n SER 18 N -1.12 1.21 -4.02 5.45 3.41 -1.26 -3.36 113.62 113.92 1ul7 n SER 18 Ca -0.08 0.21 -0.36 0.00 -0.26 0.00 0.00 58.87 58.38 1ul7 n SER 18 Cb 0.57 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 1ul7 n SER 18 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1ul7 n MET 19 N -3.78 -0.02 -0.98 4.33 0.00 -1.26 -4.83 117.12 110.57 1ul7 n MET 19 Ca -0.28 -0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.07 1ul7 n MET 19 Cb 0.66 -1.05 0.11 0.00 0.00 0.00 0.00 33.22 32.94 1ul7 n MET 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1ul7 n ASP 20 N 3.21 -1.26 0.19 3.17 8.00 -1.26 -4.86 116.55 123.75 1ul7 n ASP 20 Ca -0.01 0.45 0.05 0.00 0.71 0.00 0.00 54.79 55.99 1ul7 n ASP 20 Cb 0.56 -1.26 0.38 0.00 -0.02 0.00 0.00 41.12 40.78 1ul7 n ASP 20 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ul7 h PRO 21 N -1.10 0.00 -0.05 -0.24 0.13 -2.00 -2.89 132.00 125.85 1ul7 h PRO 21 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1ul7 h PRO 21 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1ul7 h PRO 21 CO 0.39 0.36 -0.30 1.03 -0.23 0.00 0.00 178.00 179.25 1ul7 h SER 22 N 0.00 0.08 0.72 1.44 0.87 -2.02 -2.74 113.55 111.91 1ul7 h SER 22 Ca -0.00 -0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 60.29 1ul7 h SER 22 Cb 0.77 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1ul7 h SER 22 CO 0.05 0.38 -1.09 0.44 -0.53 0.00 0.00 176.83 176.08 1ul7 h ASP 23 N 0.08 0.27 -0.56 6.23 3.32 -1.87 -3.32 116.42 120.57 1ul7 h ASP 23 Ca 0.01 -0.27 0.11 0.00 0.02 0.00 0.00 57.03 56.90 1ul7 h ASP 23 Cb 0.57 -0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 1ul7 h ASP 23 CO 0.04 1.18 0.04 0.24 -1.72 0.00 0.00 179.24 179.02 1ul7 h MET 24 N 0.06 0.15 -0.81 3.56 2.86 -1.38 0.98 114.93 120.35 1ul7 h MET 24 Ca -0.08 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.69 1ul7 h MET 24 Cb 1.81 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.38 1ul7 h MET 24 CO 0.17 0.10 0.53 0.52 1.06 0.00 0.00 176.91 179.29 1ul7 h MET 25 N 0.16 0.53 -0.05 1.72 2.86 -1.65 -1.60 114.93 116.90 1ul7 h MET 25 Ca 0.29 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.91 1ul7 h MET 25 Cb 0.45 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1ul7 h MET 25 CO -0.44 0.35 -0.02 -0.09 1.06 0.00 0.00 176.91 177.76 1ul7 h ARG 26 N 0.55 -0.02 -0.47 1.72 2.43 -0.95 -2.66 114.38 114.98 1ul7 h ARG 26 Ca 0.40 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.58 1ul7 h ARG 26 Cb 0.77 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 1ul7 h ARG 26 CO -0.15 -0.01 0.31 0.93 -1.51 0.00 0.00 179.97 179.53 1ul7 h GLU 27 N -0.02 0.61 -0.57 0.20 4.39 -1.15 0.16 114.58 118.20 1ul7 h GLU 27 Ca 0.03 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1ul7 h GLU 27 Cb 0.06 -0.14 -0.11 0.00 -0.10 0.00 0.00 28.75 28.47 1ul7 h GLU 27 CO -0.07 0.40 -0.18 0.82 -1.16 0.00 0.00 179.01 178.83 1ul7 h ILE 28 N 0.63 0.37 0.13 3.13 2.04 -1.15 0.25 117.51 122.91 1ul7 h ILE 28 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1ul7 h ILE 28 Cb -0.06 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1ul7 h ILE 28 CO -0.04 0.00 -0.06 0.03 0.00 0.00 0.00 178.15 178.08 1ul7 h ARG 29 N -0.04 -0.16 -0.59 2.37 3.08 -1.22 -2.46 114.38 115.36 1ul7 h ARG 29 Ca 0.27 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.41 1ul7 h ARG 29 Cb 0.45 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 30.44 1ul7 h ARG 29 CO -0.61 0.31 -0.47 -0.22 -1.07 0.00 0.00 179.97 177.92 1ul7 h LYS 30 N -0.86 -0.23 0.40 0.04 3.64 -0.37 -1.09 116.57 118.11 1ul7 h LYS 30 Ca -0.02 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ul7 h LYS 30 Cb 0.55 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1ul7 h LYS 30 CO 0.03 -0.15 -0.21 0.28 -2.27 0.00 0.00 179.45 177.13 1ul7 h VAL 31 N -0.24 0.00 0.00 2.00 2.07 -0.64 -3.05 116.25 116.40 1ul7 h VAL 31 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1ul7 h VAL 31 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1ul7 h VAL 31 CO -0.70 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.07 1ul7 n LEU 32 N -3.57 0.00 -0.30 2.57 4.77 -0.93 -0.52 117.00 119.02 1ul7 n LEU 32 Ca -0.07 0.70 -0.05 0.00 -0.03 0.00 0.00 56.01 56.56 1ul7 n LEU 32 Cb 0.22 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1ul7 n LEU 32 CO 0.17 -0.34 0.39 0.61 -1.33 0.00 0.00 177.39 176.88 1ul7 n GLY 33 N -0.99 -1.77 0.32 -0.72 0.00 -0.44 0.14 105.19 101.73 1ul7 n GLY 33 Ca 0.00 0.86 0.19 0.00 0.00 0.00 0.00 46.02 47.07 1ul7 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ul7 h ALA 34 N 0.63 1.52 -0.30 4.61 0.00 -0.69 0.51 119.26 125.54 1ul7 h ALA 34 Ca 0.17 0.27 -0.25 0.00 0.00 0.00 0.00 54.91 55.10 1ul7 h ALA 34 Cb 0.36 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 1ul7 h ALA 34 CO -0.71 -0.63 0.20 0.09 0.00 0.00 0.00 179.25 178.20 1ul7 n ASN 35 N -5.30 6.02 -2.10 0.00 3.02 0.37 -4.77 115.26 112.50 1ul7 n ASN 35 Ca 0.27 -2.84 0.00 0.00 -0.03 0.00 0.00 54.58 51.97 1ul7 n ASN 35 Cb 0.88 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 1ul7 n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ul7 n ASN 36 N 1.02 -0.79 -4.78 6.41 3.02 0.18 -4.83 115.26 115.48 1ul7 n ASN 36 Ca 0.27 0.39 -0.39 0.00 -0.03 0.00 0.00 54.58 54.82 1ul7 n ASN 36 Cb 0.60 -0.81 -0.06 0.00 -0.61 0.00 0.00 39.78 38.89 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ul7 s ASP 38 N -1.00 6.47 -0.10 0.00 2.15 -0.26 -3.94 116.67 119.99 1ul7 s ASP 38 Ca 0.34 0.55 0.04 0.00 0.43 0.00 0.00 52.55 53.91 1ul7 s ASP 38 Cb -0.22 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1ul7 s ASP 38 CO 0.23 -0.10 -0.23 -0.72 -0.17 0.00 0.00 175.17 174.19 1ul7 s TYR 39 N 1.38 2.49 -0.08 -5.34 1.13 -1.25 -1.52 117.35 114.16 1ul7 s TYR 39 Ca 0.20 -1.05 0.04 0.00 -1.41 0.00 0.00 57.07 54.86 1ul7 s TYR 39 Cb -0.15 -1.68 -0.00 0.00 -1.10 0.00 0.00 41.96 39.03 1ul7 s TYR 39 CO 0.08 -0.43 -0.22 -2.00 -2.51 0.00 0.00 175.55 170.47 1ul7 s GLU 40 N 0.43 2.69 -0.16 -3.49 2.56 -1.09 -4.93 118.70 114.71 1ul7 s GLU 40 Ca -0.17 -0.81 -0.29 0.00 0.00 0.00 0.00 54.97 53.69 1ul7 s GLU 40 Cb -0.18 -2.11 -0.03 0.00 2.00 0.00 0.00 34.13 33.81 1ul7 s GLU 40 CO 0.07 0.21 1.60 -0.65 -0.56 0.00 0.00 175.26 175.94 1ul7 s GLN 41 N 0.24 3.96 -0.04 4.30 -1.52 -1.26 -2.01 119.66 123.32 1ul7 s GLN 41 Ca -0.14 1.84 -0.07 0.00 -1.95 0.00 0.00 55.36 55.04 1ul7 s GLN 41 Cb -0.16 -4.00 -0.02 0.00 -0.22 0.00 0.00 33.01 28.61 1ul7 s GLN 41 CO 0.07 -1.10 -0.13 0.54 -0.25 0.00 0.00 175.29 174.42 1ul7 n ARG 42 N 7.40 0.20 -3.23 2.91 5.12 -1.18 -5.00 116.66 122.88 1ul7 n ARG 42 Ca 0.18 0.08 -0.17 0.00 -1.93 0.00 0.00 57.85 56.00 1ul7 n ARG 42 Cb 0.44 -0.78 -0.02 0.00 -1.16 0.00 0.00 32.46 30.95 1ul7 n ARG 42 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ul7 n GLU 43 N -3.47 1.13 -0.02 5.56 -0.58 -1.21 -4.98 120.64 117.07 1ul7 n GLU 43 Ca -0.05 -2.13 0.00 0.00 -0.42 0.00 0.00 57.16 54.55 1ul7 n GLU 43 Cb 0.20 0.40 0.30 0.00 -0.57 0.00 0.00 31.44 31.76 1ul7 n GLU 43 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1ul7 h ARG 44 N 0.00 0.57 -0.35 3.49 9.65 -2.03 -3.20 114.38 122.52 1ul7 h ARG 44 Ca -0.23 -0.11 -0.27 0.00 -1.10 0.00 0.00 59.98 58.28 1ul7 h ARG 44 Cb 0.76 -0.09 -0.36 0.00 -1.39 0.00 0.00 29.97 28.89 1ul7 h ARG 44 CO 0.37 0.55 -0.96 1.19 2.80 0.00 0.00 179.97 183.92 1ul7 n PHE 45 N -4.31 1.15 -4.16 2.20 3.72 -1.26 -5.07 117.46 109.74 1ul7 n PHE 45 Ca 0.02 -1.71 -0.16 0.00 -0.05 0.00 0.00 57.45 55.56 1ul7 n PHE 45 Cb 0.21 -0.24 -0.12 0.00 -0.94 0.00 0.00 39.48 38.39 1ul7 n PHE 45 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ul7 s LEU 46 N -2.82 2.20 -0.09 4.37 2.96 -1.21 -3.00 118.68 121.09 1ul7 s LEU 46 Ca 0.35 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.70 1ul7 s LEU 46 Cb 0.36 -0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.74 1ul7 s LEU 46 CO -0.06 -0.09 0.27 -0.76 -1.32 0.00 0.00 176.35 174.40 1ul7 s LEU 47 N -1.28 0.97 -0.47 -0.68 1.43 -0.82 -3.09 118.68 114.75 1ul7 s LEU 47 Ca -0.04 0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 53.34 1ul7 s LEU 47 Cb -0.08 0.96 0.04 0.00 0.03 0.00 0.00 46.19 47.13 1ul7 s LEU 47 CO 0.01 -0.14 0.60 0.12 0.23 0.00 0.00 176.35 177.17 1ul7 s PHE 48 N -0.06 3.07 0.14 0.29 5.36 -0.85 -1.86 117.98 124.07 1ul7 s PHE 48 Ca -0.02 -0.33 -0.20 0.00 -0.96 0.00 0.00 56.93 55.42 1ul7 s PHE 48 Cb -0.02 -3.36 -0.07 0.00 -0.34 0.00 0.00 43.02 39.22 1ul7 s PHE 48 CO 0.01 -0.92 0.64 0.00 -1.46 0.00 0.00 175.22 173.49 1ul7 s VAL 50 N -1.28 -0.01 -0.03 0.00 1.01 -0.57 -2.23 120.40 117.29 1ul7 s VAL 50 Ca 0.35 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1ul7 s VAL 50 Cb -0.19 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 35.93 1ul7 s VAL 50 CO 0.21 0.01 0.25 -2.28 0.00 0.00 0.00 175.10 173.29 1ul7 s HIS 51 N 0.27 -0.14 -0.32 5.22 2.46 -1.16 -1.10 115.29 120.52 1ul7 s HIS 51 Ca -0.01 0.26 0.08 0.00 0.47 0.00 0.00 55.06 55.85 1ul7 s HIS 51 Cb -0.03 0.06 0.53 0.00 -0.13 0.00 0.00 32.58 33.01 1ul7 s HIS 51 CO -0.01 -0.30 1.54 0.41 -2.47 0.00 0.00 174.74 173.91 1ul7 n GLY 52 N 1.72 4.86 0.29 1.59 0.00 -1.26 -3.44 105.19 108.95 1ul7 n GLY 52 Ca -0.20 -1.22 0.02 0.00 0.00 0.00 0.00 46.02 44.63 1ul7 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ul7 n ASP 53 N -1.13 -0.37 -0.54 1.61 -0.08 -1.26 -4.47 116.55 110.31 1ul7 n ASP 53 Ca 0.38 1.34 0.00 0.00 -1.51 0.00 0.00 54.79 54.99 1ul7 n ASP 53 Cb 1.14 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 44.24 1ul7 n ASP 53 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ul7 n GLY 54 N -1.44 1.69 3.82 0.27 0.00 -1.26 -5.10 105.19 103.17 1ul7 n GLY 54 Ca 0.10 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1ul7 n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ul7 s HIS 55 N 2.34 2.68 0.06 1.61 3.76 -1.26 -4.93 115.29 119.55 1ul7 s HIS 55 Ca 0.00 0.87 -0.24 0.00 -0.15 0.00 0.00 55.06 55.54 1ul7 s HIS 55 Cb 0.00 -3.37 -0.16 0.00 1.11 0.00 0.00 32.58 30.15 1ul7 s HIS 55 CO 0.00 -2.13 1.62 0.00 -0.85 0.00 0.00 174.74 173.38 1ul7 h ALA 56 N -1.32 0.00 0.00 -1.40 0.00 -1.99 -2.04 119.26 112.50 1ul7 h ALA 56 Ca -0.49 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ul7 h ALA 56 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ul7 h ALA 56 CO 0.63 -0.44 0.06 1.49 0.00 0.00 0.00 179.25 180.99 1ul7 h GLU 57 N -0.12 0.00 -0.62 0.00 4.57 -2.02 -0.28 114.58 116.11 1ul7 h GLU 57 Ca 0.00 0.00 -0.39 0.00 -1.18 0.00 0.00 59.36 57.79 1ul7 h GLU 57 Cb 0.12 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 28.47 1ul7 h GLU 57 CO -0.00 0.00 -0.07 0.09 -1.18 0.00 0.00 179.01 177.85 1ul7 n ASN 58 N -2.84 4.19 -4.77 1.04 5.03 -0.79 -5.04 115.26 112.08 1ul7 n ASN 58 Ca -0.02 -3.78 -0.41 0.00 0.87 0.00 0.00 54.58 51.24 1ul7 n ASN 58 Cb 0.12 -0.63 -0.02 0.00 -1.02 0.00 0.00 39.78 38.23 1ul7 n ASN 58 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1ul7 s LEU 59 N -3.47 4.39 -0.09 3.41 1.98 -0.12 -4.60 118.68 120.19 1ul7 s LEU 59 Ca 0.51 2.80 0.01 0.00 -2.89 0.00 0.00 54.13 54.56 1ul7 s LEU 59 Cb 0.43 -3.65 -0.02 0.00 0.66 0.00 0.00 46.19 43.61 1ul7 s LEU 59 CO 0.01 -0.64 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.02 1ul7 s VAL 60 N -1.13 3.17 -0.04 1.68 1.01 -1.22 -3.78 120.40 120.10 1ul7 s VAL 60 Ca 0.50 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 1ul7 s VAL 60 Cb -0.42 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1ul7 s VAL 60 CO 0.56 0.56 0.05 -1.10 0.00 0.00 0.00 175.10 175.16 1ul7 s GLN 61 N -0.21 0.04 0.03 2.72 -0.21 -1.26 -2.97 119.66 117.79 1ul7 s GLN 61 Ca 0.01 0.31 0.01 0.00 0.02 0.00 0.00 55.36 55.71 1ul7 s GLN 61 Cb -0.13 -0.54 -0.02 0.00 1.00 0.00 0.00 33.01 33.32 1ul7 s GLN 61 CO 0.03 -0.30 -0.05 1.67 -2.12 0.00 0.00 175.29 174.52 1ul7 s TRP 62 N 1.96 0.43 0.46 0.91 -2.14 -0.95 -2.24 118.94 117.37 1ul7 s TRP 62 Ca 0.03 -0.48 0.05 0.00 2.66 0.00 0.00 56.10 58.36 1ul7 s TRP 62 Cb -0.12 -0.27 0.02 0.00 -3.10 0.00 0.00 33.47 29.99 1ul7 s TRP 62 CO -0.03 -0.13 0.63 -1.21 -2.66 0.00 0.00 176.95 173.55 1ul7 s GLU 63 N -1.39 2.77 -0.17 3.25 2.02 -1.13 -0.71 118.70 123.35 1ul7 s GLU 63 Ca -0.12 -1.04 -0.09 0.00 0.02 0.00 0.00 54.97 53.75 1ul7 s GLU 63 Cb -0.09 -2.67 0.06 0.00 0.10 0.00 0.00 34.13 31.53 1ul7 s GLU 63 CO -0.00 -0.39 0.40 -1.64 0.02 0.00 0.00 175.26 173.65 1ul7 s MET 64 N -4.48 0.37 -0.01 1.61 -1.94 -0.78 -3.24 119.30 110.84 1ul7 s MET 64 Ca 0.55 0.79 0.01 0.00 -1.71 0.00 0.00 55.69 55.33 1ul7 s MET 64 Cb -0.10 -0.00 0.00 0.00 2.01 0.00 0.00 34.83 36.74 1ul7 s MET 64 CO 0.35 -0.17 -0.03 -2.00 -0.01 0.00 0.00 175.02 173.16 1ul7 s GLU 65 N 1.50 0.34 0.09 2.03 2.12 -1.23 -1.94 118.70 121.60 1ul7 s GLU 65 Ca -0.09 -0.11 -0.23 0.00 0.36 0.00 0.00 54.97 54.91 1ul7 s GLU 65 Cb -0.09 -0.36 -0.07 0.00 0.26 0.00 0.00 34.13 33.88 1ul7 s GLU 65 CO -0.13 0.04 0.69 0.08 -0.54 0.00 0.00 175.26 175.41 1ul7 s VAL 66 N 0.11 4.63 0.33 3.70 1.01 -1.16 -2.24 120.40 126.78 1ul7 s VAL 66 Ca -0.01 1.49 -0.15 0.00 0.00 0.00 0.00 61.98 63.31 1ul7 s VAL 66 Cb -0.04 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1ul7 s VAL 66 CO -0.00 0.48 0.69 0.00 0.00 0.00 0.00 175.10 176.27 1ul7 s LYS 68 N -3.08 2.56 0.07 0.00 0.00 -1.26 -1.89 119.74 116.14 1ul7 s LYS 68 Ca 0.17 -1.01 -0.11 0.00 0.00 0.00 0.00 55.97 55.02 1ul7 s LYS 68 Cb -0.04 -2.46 -0.06 0.00 0.00 0.00 0.00 37.83 35.27 1ul7 s LYS 68 CO 0.11 0.47 0.41 -0.51 0.00 0.00 0.00 175.35 175.83 1ul7 s LEU 69 N -2.93 4.37 -0.02 2.77 1.43 -0.66 -4.95 118.68 118.70 1ul7 s LEU 69 Ca 0.28 0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 53.97 1ul7 s LEU 69 Cb -0.10 -2.91 -0.20 0.00 0.03 0.00 0.00 46.19 43.01 1ul7 s LEU 69 CO 0.20 0.20 1.27 1.55 0.23 0.00 0.00 176.35 179.80 1ul7 h PRO 70 N 3.91 0.03 0.08 1.29 0.13 -1.91 -3.32 132.00 132.21 1ul7 h PRO 70 Ca -0.50 -0.02 -0.27 0.00 -0.87 0.00 0.00 66.00 64.35 1ul7 h PRO 70 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1ul7 h PRO 70 CO 0.65 0.51 -1.14 0.00 -0.23 0.00 0.00 178.00 177.79 1ul7 h ARG 71 N -0.45 0.51 -5.57 0.86 -0.00 -1.98 -3.44 114.38 104.31 1ul7 h ARG 71 Ca 0.00 -0.65 -0.65 0.00 -0.50 0.00 0.00 59.98 58.18 1ul7 h ARG 71 Cb 0.50 0.21 -0.12 0.00 0.00 0.00 0.00 29.97 30.56 1ul7 h ARG 71 CO 0.00 1.27 -0.54 -0.51 0.00 0.00 0.00 179.97 180.19 1ul7 s LEU 72 N -7.73 4.01 -0.23 3.04 1.43 -1.25 -5.00 118.68 112.96 1ul7 s LEU 72 Ca -0.07 0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1ul7 s LEU 72 Cb 0.07 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1ul7 s LEU 72 CO 0.90 0.31 2.74 -1.54 0.23 0.00 0.00 176.35 178.99 1ul7 n SER 73 N 2.65 5.96 -4.19 2.29 3.41 -1.26 -3.43 113.62 119.05 1ul7 n SER 73 Ca -0.18 -2.85 -0.11 0.00 -0.26 0.00 0.00 58.87 55.47 1ul7 n SER 73 Cb 0.53 -1.23 -0.10 0.00 -0.26 0.00 0.00 64.21 63.15 1ul7 n SER 73 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ul7 s LEU 74 N -1.16 2.11 -0.06 1.04 1.43 -1.26 -5.00 118.68 115.78 1ul7 s LEU 74 Ca 0.46 -1.14 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1ul7 s LEU 74 Cb 0.28 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.54 1ul7 s LEU 74 CO -0.08 -0.61 0.10 0.54 0.23 0.00 0.00 176.35 176.54 1ul7 s ASN 75 N -3.09 5.97 0.19 2.29 2.20 -1.22 -1.65 114.94 119.64 1ul7 s ASN 75 Ca 0.20 0.30 0.03 0.00 -0.94 0.00 0.00 52.86 52.45 1ul7 s ASN 75 Cb 0.07 -1.82 -0.05 0.00 -2.00 0.00 0.00 41.25 37.45 1ul7 s ASN 75 CO 0.01 0.34 -0.02 -0.83 -2.94 0.00 0.00 177.10 173.66 1ul7 s GLY 76 N -1.36 1.34 -0.13 0.45 0.00 -0.79 -1.25 107.32 105.57 1ul7 s GLY 76 Ca 0.19 -1.65 -0.20 0.00 0.00 0.00 0.00 44.72 43.06 1ul7 s GLY 76 CO 0.09 -1.60 0.57 0.14 0.00 0.00 0.00 173.10 172.30 1ul7 s VAL 77 N -3.49 5.11 -0.14 1.40 1.01 -1.26 -3.34 120.40 119.68 1ul7 s VAL 77 Ca 0.24 1.13 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 1ul7 s VAL 77 Cb 0.05 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1ul7 s VAL 77 CO 0.05 0.25 0.68 -0.60 0.00 0.00 0.00 175.10 175.48 1ul7 s ARG 78 N 1.05 4.32 -0.47 2.72 6.06 -0.95 -4.97 118.95 126.71 1ul7 s ARG 78 Ca 0.29 0.77 -0.03 0.00 -2.50 0.00 0.00 55.73 54.25 1ul7 s ARG 78 Cb -0.16 -3.52 0.12 0.00 0.06 0.00 0.00 34.95 31.46 1ul7 s ARG 78 CO 0.12 -0.11 0.28 -0.06 -2.50 0.00 0.00 175.30 173.03 1ul7 s PHE 79 N 1.43 3.53 -0.09 5.12 0.40 -1.26 -3.54 117.98 123.57 1ul7 s PHE 79 Ca 0.33 -2.44 -0.05 0.00 -0.60 0.00 0.00 56.93 54.18 1ul7 s PHE 79 Cb -0.17 -3.25 -0.04 0.00 0.51 0.00 0.00 43.02 40.08 1ul7 s PHE 79 CO 0.13 -0.94 0.10 0.21 0.70 0.00 0.00 175.22 175.42 1ul7 s LYS 80 N 0.86 3.27 -0.13 0.44 2.47 -1.20 -5.02 119.74 120.43 1ul7 s LYS 80 Ca 0.10 -0.26 -0.15 0.00 -1.56 0.00 0.00 55.97 54.10 1ul7 s LYS 80 Cb -0.22 -3.04 -0.05 0.00 -1.46 0.00 0.00 37.83 33.06 1ul7 s LYS 80 CO -0.04 0.74 0.35 0.50 0.16 0.00 0.00 175.35 177.06 1ul7 s ARG 81 N -1.14 4.22 0.04 4.03 3.00 -1.26 -2.82 118.95 125.02 1ul7 s ARG 81 Ca 0.16 0.22 -0.02 0.00 -1.00 0.00 0.00 55.73 55.09 1ul7 s ARG 81 Cb -0.12 -3.40 -0.01 0.00 0.00 0.00 0.00 34.95 31.43 1ul7 s ARG 81 CO 0.06 0.28 -0.03 -0.89 0.00 0.00 0.00 175.30 174.72 1ul7 n ILE 82 N 3.37 0.89 -4.45 4.11 2.08 -1.13 -4.98 119.36 119.24 1ul7 n ILE 82 Ca -0.11 0.28 -0.30 0.00 0.56 0.00 0.00 62.75 63.18 1ul7 n ILE 82 Cb 0.52 -1.51 -0.04 0.00 -0.75 0.00 0.00 39.64 37.86 1ul7 n ILE 82 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1ul7 n SER 83 N -3.29 3.16 -1.46 4.38 2.88 -0.95 -5.03 113.62 113.31 1ul7 n SER 83 Ca -0.01 -3.08 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 1ul7 n SER 83 Cb 0.05 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1ul7 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul7 n GLY 84 N -1.14 -4.01 3.77 0.46 0.00 -1.25 -4.20 105.19 98.82 1ul7 n GLY 84 Ca -0.14 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 1ul7 n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ul7 s THR 85 N -5.27 3.02 0.13 2.61 -1.32 -1.26 -4.69 115.64 108.85 1ul7 s THR 85 Ca 0.00 0.90 -0.23 0.00 -1.21 0.00 0.00 61.69 61.16 1ul7 s THR 85 Cb 0.00 -3.53 -0.03 0.00 -1.51 0.00 0.00 72.50 67.43 1ul7 s THR 85 CO 0.00 0.13 1.18 -1.20 -2.21 0.00 0.00 174.62 172.51 1ul7 n SER 86 N 0.29 -0.78 -0.38 8.08 7.64 -1.26 -0.25 113.62 126.96 1ul7 n SER 86 Ca 0.03 1.36 -0.10 0.00 1.01 0.00 0.00 58.87 61.17 1ul7 n SER 86 Cb 0.45 -0.19 -0.09 0.00 -1.01 0.00 0.00 64.21 63.37 1ul7 n SER 86 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ul7 n ILE 87 N -4.97 -0.62 -0.32 0.44 5.41 -1.26 0.48 119.36 118.53 1ul7 n ILE 87 Ca 0.02 2.22 -0.04 0.00 1.00 0.00 0.00 62.75 65.95 1ul7 n ILE 87 Cb 0.21 -2.74 0.09 0.00 -0.71 0.00 0.00 39.64 36.49 1ul7 n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ul7 h ALA 88 N 0.46 1.16 0.39 -1.39 0.00 -0.98 -1.75 119.26 117.16 1ul7 h ALA 88 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ul7 h ALA 88 Cb 0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ul7 h ALA 88 CO -0.86 0.66 -0.28 0.35 0.00 0.00 0.00 179.25 179.12 1ul7 h PHE 89 N 1.22 -0.76 -0.43 0.00 3.57 0.25 -2.35 116.94 118.44 1ul7 h PHE 89 Ca 0.30 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.92 1ul7 h PHE 89 Cb 0.07 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1ul7 h PHE 89 CO 0.01 -0.40 0.35 -0.22 -2.23 0.00 0.00 178.31 175.82 1ul7 h LYS 90 N -0.64 0.00 -0.01 1.11 3.11 -0.50 -2.20 116.57 117.43 1ul7 h LYS 90 Ca -0.05 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1ul7 h LYS 90 Cb 0.53 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 1ul7 h LYS 90 CO 0.03 0.00 -0.15 -0.97 -2.81 0.00 0.00 179.45 175.55 1ul7 h ASN 91 N 0.00 -0.48 0.13 4.20 -0.73 -0.76 -1.95 115.58 115.99 1ul7 h ASN 91 Ca 0.21 0.05 -0.07 0.00 1.87 0.00 0.00 56.30 58.36 1ul7 h ASN 91 Cb 0.90 0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 1ul7 h ASN 91 CO -0.00 -0.15 -0.25 -0.29 -0.37 0.00 0.00 177.43 176.37 1ul7 h ILE 92 N -0.18 1.23 -0.59 2.57 6.09 -1.44 -3.10 117.51 122.10 1ul7 h ILE 92 Ca 0.01 -1.10 0.12 0.00 -1.37 0.00 0.00 64.86 62.52 1ul7 h ILE 92 Cb 0.20 1.43 -0.11 0.00 0.47 0.00 0.00 36.82 38.80 1ul7 h ILE 92 CO -0.11 0.33 -0.19 0.00 -3.07 0.00 0.00 178.15 175.11 1ul7 h ALA 93 N 1.55 0.29 -0.66 0.18 0.00 -0.84 0.34 119.26 120.11 1ul7 h ALA 93 Ca 0.03 0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.28 1ul7 h ALA 93 Cb 0.56 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1ul7 h ALA 93 CO 0.04 -0.49 0.45 1.03 0.00 0.00 0.00 179.25 180.28 1ul7 h SER 94 N -0.05 0.37 -0.25 0.00 0.87 -1.29 0.22 113.55 113.43 1ul7 h SER 94 Ca 0.28 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1ul7 h SER 94 Cb 0.47 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 1ul7 h SER 94 CO -0.63 0.21 -0.06 0.11 -0.53 0.00 0.00 176.83 175.94 1ul7 h LYS 95 N 0.41 0.61 0.00 2.24 1.79 -0.46 -2.73 116.57 118.43 1ul7 h LYS 95 Ca 0.32 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1ul7 h LYS 95 Cb 0.68 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1ul7 h LYS 95 CO -0.09 0.67 -0.16 0.82 -1.08 0.00 0.00 179.45 179.61 1ul7 h ILE 96 N 0.57 0.00 -1.82 1.86 1.08 -0.48 -2.62 117.51 116.10 1ul7 h ILE 96 Ca 0.11 -0.63 0.53 0.00 -0.39 0.00 0.00 64.86 64.48 1ul7 h ILE 96 Cb 0.45 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.12 1ul7 h ILE 96 CO 0.02 0.00 1.30 0.00 -0.69 0.00 0.00 178.15 178.79 1ul7 n ALA 97 N -2.82 1.75 -0.00 1.87 0.00 0.57 -0.81 120.51 121.07 1ul7 n ALA 97 Ca -0.02 0.63 -0.00 0.00 0.00 0.00 0.00 53.44 54.05 1ul7 n ALA 97 Cb 0.09 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.47 1ul7 n ALA 97 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ul7 h ASN 98 N 0.00 0.00 -0.80 0.00 4.21 -1.62 -3.38 115.58 113.99 1ul7 h ASN 98 Ca 0.88 0.00 0.32 0.00 1.21 0.00 0.00 56.30 58.71 1ul7 h ASN 98 Cb 3.50 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 40.55 1ul7 h ASN 98 CO -0.04 0.02 0.38 -0.62 -1.29 0.00 0.00 177.43 175.88 1ul7 n GLU 99 N -2.26 -0.05 -1.50 0.81 1.02 -0.70 -4.27 120.64 113.68 1ul7 n GLU 99 Ca -0.00 1.11 -0.31 0.00 -0.02 0.00 0.00 57.16 57.94 1ul7 n GLU 99 Cb 0.01 -1.97 -0.18 0.00 -0.02 0.00 0.00 31.44 29.27 1ul7 n GLU 99 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1ul7 n LEU 100 N -4.84 -0.49 -4.57 -4.62 4.77 0.01 -4.74 117.00 102.52 1ul7 n LEU 100 Ca 0.29 -0.25 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 1ul7 n LEU 100 Cb 0.98 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1ul7 n LEU 100 CO -0.00 -1.15 1.45 -0.75 -1.33 0.00 0.00 177.39 175.61 1ul7 s LYS 101 N 7.99 2.67 0.00 3.23 2.47 -1.26 -5.04 119.74 129.80 1ul7 s LYS 101 Ca 1.32 -0.79 0.00 0.00 -1.56 0.00 0.00 55.97 54.94 1ul7 s LYS 101 Cb -1.00 -5.18 0.00 0.00 -1.46 0.00 0.00 37.83 30.19 1ul7 s LYS 101 CO 0.51 -3.50 0.14 1.28 0.16 0.00 0.00 175.35 173.94