#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 2.33 0.23 1.61 1.04 -1.26 -5.11 113.70 112.53 1ul7 s SER 2 Ca 0.00 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 55.75 1ul7 s SER 2 Cb 0.00 -0.98 -0.10 0.00 0.10 0.00 0.00 66.02 65.05 1ul7 s SER 2 CO 0.00 -0.07 1.39 -0.94 0.98 0.00 0.00 173.24 174.60 1ul7 s SER 3 N 1.45 6.75 -0.05 7.02 1.04 -1.26 -4.97 113.70 123.68 1ul7 s SER 3 Ca 0.02 2.56 -0.27 0.00 0.48 0.00 0.00 55.95 58.73 1ul7 s SER 3 Cb -0.13 -2.62 0.09 0.00 0.10 0.00 0.00 66.02 63.46 1ul7 s SER 3 CO -0.07 -0.64 1.23 0.61 0.98 0.00 0.00 173.24 175.36 1ul7 n GLY 4 N 2.30 0.18 3.68 7.32 0.00 -1.26 -5.18 105.19 112.23 1ul7 n GLY 4 Ca 0.07 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 1ul7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ul7 s SER 5 N -3.71 4.53 0.18 1.61 0.01 -1.26 -5.13 113.70 109.93 1ul7 s SER 5 Ca 0.29 -0.77 -0.10 0.00 1.31 0.00 0.00 55.95 56.69 1ul7 s SER 5 Cb -0.00 -0.73 -0.07 0.00 0.21 0.00 0.00 66.02 65.43 1ul7 s SER 5 CO -0.02 -0.17 0.50 -0.94 0.41 0.00 0.00 173.24 173.02 1ul7 s SER 6 N -3.75 6.64 0.23 2.44 1.04 -1.26 -5.04 113.70 114.00 1ul7 s SER 6 Ca 0.35 0.88 -0.30 0.00 0.48 0.00 0.00 55.95 57.35 1ul7 s SER 6 Cb -0.03 -2.21 -0.10 0.00 0.10 0.00 0.00 66.02 63.78 1ul7 s SER 6 CO 0.21 0.01 1.47 -0.83 0.98 0.00 0.00 173.24 175.08 1ul7 s GLY 7 N -2.17 2.15 -0.20 7.32 0.00 -1.26 -4.93 107.32 108.23 1ul7 s GLY 7 Ca 0.43 1.34 -0.05 0.00 0.00 0.00 0.00 44.72 46.44 1ul7 s GLY 7 CO 0.21 2.36 -0.22 -2.13 0.00 0.00 0.00 173.10 173.33 1ul7 n ARG 8 N 2.71 0.45 -0.07 2.90 0.63 -1.26 -4.81 116.66 117.20 1ul7 n ARG 8 Ca 0.08 0.15 -0.09 0.00 -0.92 0.00 0.00 57.85 57.08 1ul7 n ARG 8 Cb 0.40 -1.29 -0.07 0.00 0.45 0.00 0.00 32.46 31.95 1ul7 n ARG 8 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1ul7 n PHE 9 N -3.51 0.00 -3.68 -0.14 3.72 -1.26 -4.98 117.46 107.60 1ul7 n PHE 9 Ca -0.37 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.67 1ul7 n PHE 9 Cb 0.82 -0.55 -0.07 0.00 -0.94 0.00 0.00 39.48 38.73 1ul7 n PHE 9 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1ul7 s THR 10 N -2.28 5.37 -0.59 4.37 2.01 -1.26 -5.04 115.64 118.22 1ul7 s THR 10 Ca -0.16 0.34 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 1ul7 s THR 10 Cb 0.05 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1ul7 s THR 10 CO 0.36 0.46 1.35 0.26 -0.69 0.00 0.00 174.62 176.36 1ul7 s TRP 11 N 0.08 2.35 -0.06 4.92 0.52 -1.26 -4.53 118.94 120.96 1ul7 s TRP 11 Ca 0.13 0.41 -0.19 0.00 0.02 0.00 0.00 56.10 56.47 1ul7 s TRP 11 Cb -0.12 -4.45 -0.05 0.00 -1.15 0.00 0.00 33.47 27.71 1ul7 s TRP 11 CO 0.02 -1.90 0.52 -1.12 0.02 0.00 0.00 176.95 174.49 1ul7 s SER 12 N 4.05 6.81 -0.16 2.95 0.01 -1.26 -5.05 113.70 121.04 1ul7 s SER 12 Ca 0.48 0.96 -0.31 0.00 1.31 0.00 0.00 55.95 58.39 1ul7 s SER 12 Cb -0.10 -2.31 0.14 0.00 0.21 0.00 0.00 66.02 63.96 1ul7 s SER 12 CO 0.24 0.07 1.10 -0.32 0.41 0.00 0.00 173.24 174.74 1ul7 s MET 13 N 0.15 0.46 -0.21 12.44 0.00 -1.26 -4.97 119.30 125.90 1ul7 s MET 13 Ca 0.28 -0.03 0.10 0.00 0.00 0.00 0.00 55.69 56.04 1ul7 s MET 13 Cb -0.16 0.21 -0.20 0.00 0.00 0.00 0.00 34.83 34.68 1ul7 s MET 13 CO 0.13 -0.17 -0.06 1.17 0.00 0.00 0.00 175.02 176.09 1ul7 n LYS 14 N 0.29 0.76 -1.59 4.11 4.81 -1.26 -4.99 118.16 120.30 1ul7 n LYS 14 Ca -0.05 0.06 -0.44 0.00 -0.87 0.00 0.00 58.31 57.01 1ul7 n LYS 14 Cb 0.59 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 34.14 1ul7 n LYS 14 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1ul7 n THR 15 N -2.93 2.05 -3.88 3.15 -1.04 -1.26 -4.99 114.28 105.38 1ul7 n THR 15 Ca -0.36 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.07 1ul7 n THR 15 Cb 1.05 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.53 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 -1.12 0.00 0.00 12.58 -4.23 -1.26 -4.45 115.64 117.16 1ul7 s THR 16 Ca 0.59 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.03 1ul7 s THR 16 Cb -0.67 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.14 1ul7 s THR 16 CO 0.59 -0.00 0.00 -0.24 -0.54 0.00 0.00 174.62 174.43 1ul7 n SER 17 N -0.44 2.36 -3.20 3.99 2.88 -1.21 -4.53 113.62 113.46 1ul7 n SER 17 Ca -0.04 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.33 1ul7 n SER 17 Cb 0.60 0.16 0.08 0.00 -0.75 0.00 0.00 64.21 64.29 1ul7 n SER 17 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ul7 n SER 18 N -1.54 -3.64 -3.83 -3.46 2.88 -1.26 -4.92 113.62 97.84 1ul7 n SER 18 Ca 0.00 -0.52 -0.07 0.00 -1.33 0.00 0.00 58.87 56.95 1ul7 n SER 18 Cb 0.26 -4.59 -0.02 0.00 -0.75 0.00 0.00 64.21 59.10 1ul7 n SER 18 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ul7 s MET 19 N -5.61 1.69 0.38 -1.46 0.23 -1.26 -4.89 119.30 108.38 1ul7 s MET 19 Ca 0.22 -0.93 -0.24 0.00 -1.03 0.00 0.00 55.69 53.71 1ul7 s MET 19 Cb -0.10 0.58 -0.13 0.00 -1.53 0.00 0.00 34.83 33.66 1ul7 s MET 19 CO 0.65 -0.77 0.70 -0.25 -2.03 0.00 0.00 175.02 173.32 1ul7 n ASP 20 N -0.46 -0.19 -0.04 -1.18 9.92 -1.26 -4.63 116.55 118.71 1ul7 n ASP 20 Ca -0.05 0.99 -0.09 0.00 -0.53 0.00 0.00 54.79 55.11 1ul7 n ASP 20 Cb 0.59 -1.17 0.06 0.00 -0.64 0.00 0.00 41.12 39.96 1ul7 n ASP 20 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1ul7 h PRO 21 N 1.13 0.68 -0.45 -0.24 0.13 -2.00 -3.00 132.00 128.25 1ul7 h PRO 21 Ca -0.40 -0.36 0.13 0.00 -0.87 0.00 0.00 66.00 64.50 1ul7 h PRO 21 Cb 1.38 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.51 1ul7 h PRO 21 CO 0.54 0.97 0.55 0.77 -0.23 0.00 0.00 178.00 180.61 1ul7 h SER 22 N 0.56 0.00 0.06 1.44 0.02 -1.98 0.16 113.55 113.80 1ul7 h SER 22 Ca 0.04 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1ul7 h SER 22 Cb 0.95 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.50 1ul7 h SER 22 CO 0.09 0.00 -0.51 0.44 -1.14 0.00 0.00 176.83 175.71 1ul7 h ASP 23 N 0.00 0.21 -0.55 3.07 3.32 -1.89 -3.36 116.42 117.22 1ul7 h ASP 23 Ca 0.21 -0.94 0.11 0.00 0.02 0.00 0.00 57.03 56.44 1ul7 h ASP 23 Cb 1.32 -0.07 -0.10 0.00 0.22 0.00 0.00 39.33 40.70 1ul7 h ASP 23 CO -0.00 1.23 -0.11 0.24 -1.72 0.00 0.00 179.24 178.88 1ul7 h MET 24 N -0.71 0.02 -1.03 3.56 2.86 -1.03 0.78 114.93 119.39 1ul7 h MET 24 Ca -0.10 -0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.86 1ul7 h MET 24 Cb 1.32 -0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.84 1ul7 h MET 24 CO 0.05 0.01 0.60 0.52 1.06 0.00 0.00 176.91 179.15 1ul7 h MET 25 N 0.02 0.33 0.49 1.72 2.86 -1.60 0.21 114.93 118.95 1ul7 h MET 25 Ca 0.27 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1ul7 h MET 25 Cb 0.41 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1ul7 h MET 25 CO -0.55 0.22 -0.23 -0.09 1.06 0.00 0.00 176.91 177.32 1ul7 h ARG 26 N 0.34 -0.63 -0.50 1.72 2.43 -0.99 -2.78 114.38 113.97 1ul7 h ARG 26 Ca 0.72 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 60.04 1ul7 h ARG 26 Cb 1.69 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 31.30 1ul7 h ARG 26 CO -0.56 -0.42 -0.03 1.49 -1.51 0.00 0.00 179.97 178.94 1ul7 h GLU 27 N -0.79 0.08 -0.55 0.20 4.57 -1.12 -0.72 114.58 116.24 1ul7 h GLU 27 Ca -0.07 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 1ul7 h GLU 27 Cb 0.50 -0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.97 1ul7 h GLU 27 CO 0.11 0.05 -0.50 0.82 -1.18 0.00 0.00 179.01 178.31 1ul7 h ILE 28 N 0.08 0.04 -0.07 2.32 2.04 -0.66 -1.17 117.51 120.09 1ul7 h ILE 28 Ca 0.25 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1ul7 h ILE 28 Cb 0.38 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1ul7 h ILE 28 CO -0.45 0.00 0.04 0.03 0.00 0.00 0.00 178.15 177.77 1ul7 h ARG 29 N -0.27 0.09 -0.89 2.37 3.08 -1.12 -2.14 114.38 115.50 1ul7 h ARG 29 Ca 0.13 -0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.34 1ul7 h ARG 29 Cb 0.56 -0.02 -0.16 0.00 0.08 0.00 0.00 29.97 30.43 1ul7 h ARG 29 CO -0.68 0.08 -0.30 -0.22 -1.07 0.00 0.00 179.97 177.78 1ul7 h LYS 30 N 0.08 -0.03 0.51 0.04 3.64 -0.04 0.22 116.57 120.99 1ul7 h LYS 30 Ca 0.02 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1ul7 h LYS 30 Cb 0.01 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1ul7 h LYS 30 CO -0.01 -0.02 -0.24 0.28 -2.27 0.00 0.00 179.45 177.19 1ul7 h VAL 31 N -0.03 0.42 -0.52 2.00 2.07 -1.07 -2.87 116.25 116.26 1ul7 h VAL 31 Ca 0.37 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1ul7 h VAL 31 Cb 0.62 0.55 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 1ul7 h VAL 31 CO -0.91 0.05 -0.48 -0.07 0.02 0.00 0.00 177.57 176.18 1ul7 h LEU 32 N -0.91 -1.62 -1.52 2.57 3.38 -0.54 0.32 115.31 116.99 1ul7 h LEU 32 Ca -0.07 0.24 0.25 0.00 0.09 0.00 0.00 57.88 58.39 1ul7 h LEU 32 Cb 0.60 0.71 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 1ul7 h LEU 32 CO 0.11 -0.36 0.65 1.23 0.09 0.00 0.00 178.44 180.17 1ul7 h GLY 33 N -0.28 0.89 1.47 0.83 0.00 -0.66 0.21 103.07 105.52 1ul7 h GLY 33 Ca 0.14 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1ul7 h GLY 33 CO -0.65 -0.06 -0.59 0.00 0.00 0.00 0.00 176.54 175.24 1ul7 h ALA 34 N 1.59 0.66 -0.35 3.60 0.00 -0.21 -3.07 119.26 121.49 1ul7 h ALA 34 Ca 0.53 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1ul7 h ALA 34 Cb 1.44 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 1ul7 h ALA 34 CO -0.20 0.70 0.26 0.09 0.00 0.00 0.00 179.25 180.10 1ul7 n ASN 35 N -3.94 4.30 -4.03 0.00 3.02 0.62 -4.82 115.26 110.42 1ul7 n ASN 35 Ca -0.04 -2.68 -0.33 0.00 -0.03 0.00 0.00 54.58 51.51 1ul7 n ASN 35 Cb 0.63 -0.78 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 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 0.18 -2.21 -4.94 6.41 3.02 -1.14 -4.90 115.26 111.68 1ul7 n ASN 36 Ca 0.21 -0.83 -0.25 0.00 -0.03 0.00 0.00 54.58 53.69 1ul7 n ASN 36 Cb 0.79 -1.89 -0.01 0.00 -0.61 0.00 0.00 39.78 38.05 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 -3.94 4.69 -0.03 0.00 1.11 -0.56 -4.46 116.67 113.48 1ul7 s ASP 38 Ca 0.41 -0.95 0.04 0.00 0.18 0.00 0.00 52.55 52.23 1ul7 s ASP 38 Cb -0.10 -1.73 -0.03 0.00 1.07 0.00 0.00 42.92 42.13 1ul7 s ASP 38 CO 0.36 -0.19 -0.15 -0.72 1.18 0.00 0.00 175.17 175.66 1ul7 s TYR 39 N 1.35 2.68 0.06 4.23 1.13 -1.25 -1.11 117.35 124.44 1ul7 s TYR 39 Ca -0.01 -0.17 0.01 0.00 -1.41 0.00 0.00 57.07 55.49 1ul7 s TYR 39 Cb -0.18 -1.60 -0.03 0.00 -1.10 0.00 0.00 41.96 39.05 1ul7 s TYR 39 CO -0.02 0.20 -0.06 -1.21 -2.51 0.00 0.00 175.55 171.95 1ul7 s GLU 40 N -0.85 0.60 -0.28 -3.49 0.41 -1.04 -4.91 118.70 109.14 1ul7 s GLU 40 Ca 0.12 -0.96 -0.29 0.00 -0.41 0.00 0.00 54.97 53.43 1ul7 s GLU 40 Cb -0.11 -0.16 -0.01 0.00 -1.78 0.00 0.00 34.13 32.07 1ul7 s GLU 40 CO 0.01 0.00 1.50 -1.14 -0.49 0.00 0.00 175.26 175.15 1ul7 s GLN 41 N -2.49 3.78 0.00 1.61 -0.44 -1.26 -1.25 119.66 119.61 1ul7 s GLN 41 Ca -0.02 1.43 0.00 0.00 -2.50 0.00 0.00 55.36 54.26 1ul7 s GLN 41 Cb -0.04 -4.00 0.00 0.00 -1.64 0.00 0.00 33.01 27.34 1ul7 s GLN 41 CO -0.02 -1.31 0.00 0.54 0.50 0.00 0.00 175.29 175.00 1ul7 n ARG 42 N 7.65 0.00 -3.66 1.67 5.12 -0.72 -4.91 116.66 121.82 1ul7 n ARG 42 Ca 0.17 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.90 1ul7 n ARG 42 Cb 0.46 -0.33 -0.04 0.00 -1.16 0.00 0.00 32.46 31.38 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 -2.26 1.12 -0.19 5.56 -0.58 -0.63 -4.95 120.64 118.71 1ul7 n GLU 43 Ca 0.00 -2.31 -0.05 0.00 -0.42 0.00 0.00 57.16 54.38 1ul7 n GLU 43 Cb 0.00 0.75 -0.05 0.00 -0.57 0.00 0.00 31.44 31.57 1ul7 n GLU 43 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ul7 n ARG 44 N -0.75 -0.20 -0.05 3.49 5.12 -1.26 -2.12 116.66 120.88 1ul7 n ARG 44 Ca -0.11 0.97 0.06 0.00 -1.93 0.00 0.00 57.85 56.83 1ul7 n ARG 44 Cb 0.40 -1.43 0.08 0.00 -1.16 0.00 0.00 32.46 30.35 1ul7 n ARG 44 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1ul7 n PHE 45 N -4.09 0.00 -3.93 -1.55 3.01 -1.26 -5.03 117.46 104.61 1ul7 n PHE 45 Ca 0.01 -0.78 -0.33 0.00 1.01 0.00 0.00 57.45 57.35 1ul7 n PHE 45 Cb 0.12 -0.11 -0.05 0.00 -0.01 0.00 0.00 39.48 39.43 1ul7 n PHE 45 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1ul7 s LEU 46 N -2.08 4.30 0.12 4.37 0.20 -0.90 -3.24 118.68 121.45 1ul7 s LEU 46 Ca 0.19 0.32 0.01 0.00 0.69 0.00 0.00 54.13 55.34 1ul7 s LEU 46 Cb 0.17 -2.52 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 1ul7 s LEU 46 CO 0.02 0.27 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.58 1ul7 s LEU 47 N -1.85 2.19 -0.43 -0.68 1.43 0.03 -1.60 118.68 117.77 1ul7 s LEU 47 Ca 0.26 -1.11 -0.07 0.00 -1.03 0.00 0.00 54.13 52.17 1ul7 s LEU 47 Cb -0.12 0.07 0.10 0.00 0.03 0.00 0.00 46.19 46.26 1ul7 s LEU 47 CO 0.17 -0.59 0.27 0.12 0.23 0.00 0.00 176.35 176.56 1ul7 s PHE 48 N -3.79 3.43 0.05 0.29 5.36 -0.38 -2.04 117.98 120.90 1ul7 s PHE 48 Ca 0.18 -1.90 -0.20 0.00 -0.96 0.00 0.00 56.93 54.05 1ul7 s PHE 48 Cb 0.07 -3.22 -0.06 0.00 -0.34 0.00 0.00 43.02 39.47 1ul7 s PHE 48 CO -0.01 -0.94 0.57 0.00 -1.46 0.00 0.00 175.22 173.39 1ul7 s VAL 50 N -0.84 0.06 -0.03 0.00 1.01 -0.27 -1.81 120.40 118.53 1ul7 s VAL 50 Ca 0.29 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.28 1ul7 s VAL 50 Cb -0.19 -0.14 0.01 0.00 0.00 0.00 0.00 36.38 36.06 1ul7 s VAL 50 CO 0.18 0.08 0.20 -2.28 0.00 0.00 0.00 175.10 173.28 1ul7 s HIS 51 N 0.69 -0.09 -0.49 5.22 2.46 -0.71 -1.50 115.29 120.87 1ul7 s HIS 51 Ca -0.06 0.17 0.07 0.00 0.47 0.00 0.00 55.06 55.71 1ul7 s HIS 51 Cb -0.09 0.02 0.25 0.00 -0.13 0.00 0.00 32.58 32.63 1ul7 s HIS 51 CO -0.02 -0.25 0.61 0.41 -2.47 0.00 0.00 174.74 173.02 1ul7 n GLY 52 N 1.89 3.64 2.12 1.59 0.00 -1.26 -1.43 105.19 111.72 1ul7 n GLY 52 Ca -0.19 -2.05 -0.16 0.00 0.00 0.00 0.00 46.02 43.62 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 1.21 5.59 0.00 1.61 2.03 -1.26 -4.71 116.55 121.02 1ul7 n ASP 53 Ca 0.25 -2.68 0.00 0.00 0.52 0.00 0.00 54.79 52.88 1ul7 n ASP 53 Cb 0.48 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1ul7 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ul7 n GLY 54 N 2.00 0.01 3.95 0.27 0.00 -1.26 -5.12 105.19 105.04 1ul7 n GLY 54 Ca 0.43 0.55 -0.19 0.00 0.00 0.00 0.00 46.02 46.81 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 2.80 2.62 0.04 1.61 3.76 -1.26 -5.01 115.29 119.85 1ul7 s HIS 55 Ca 0.00 -0.48 -0.26 0.00 -0.15 0.00 0.00 55.06 54.17 1ul7 s HIS 55 Cb 0.00 -2.26 -0.17 0.00 1.11 0.00 0.00 32.58 31.26 1ul7 s HIS 55 CO 0.00 -0.34 1.46 0.00 -0.85 0.00 0.00 174.74 175.02 1ul7 h ALA 56 N 0.79 -0.25 0.00 -1.40 0.00 -2.00 -2.33 119.26 114.06 1ul7 h ALA 56 Ca -0.40 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ul7 h ALA 56 Cb 1.28 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ul7 h ALA 56 CO 0.51 -0.54 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1ul7 n GLU 57 N -5.11 0.59 -0.55 0.00 1.02 -1.26 -2.29 120.64 113.03 1ul7 n GLU 57 Ca -0.09 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 1ul7 n GLU 57 Cb 0.20 -1.49 0.20 0.00 -0.02 0.00 0.00 31.44 30.33 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ul7 n ASN 58 N -0.99 2.19 -4.75 1.62 3.02 -0.89 -5.02 115.26 110.44 1ul7 n ASN 58 Ca 0.14 -3.67 -0.41 0.00 -0.03 0.00 0.00 54.58 50.61 1ul7 n ASN 58 Cb 0.06 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.65 1ul7 n ASN 58 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ul7 s LEU 59 N -3.15 4.50 -0.08 3.41 2.96 -0.97 -4.54 118.68 120.81 1ul7 s LEU 59 Ca 0.39 2.30 -0.02 0.00 -0.22 0.00 0.00 54.13 56.58 1ul7 s LEU 59 Cb 0.36 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1ul7 s LEU 59 CO -0.02 -0.26 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.05 1ul7 s VAL 60 N -0.77 4.27 -0.01 1.68 1.01 -0.52 -4.11 120.40 121.94 1ul7 s VAL 60 Ca 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1ul7 s VAL 60 Cb -0.33 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.27 1ul7 s VAL 60 CO 0.41 0.60 -0.00 -1.10 0.00 0.00 0.00 175.10 175.00 1ul7 s GLN 61 N -0.90 0.13 0.03 2.72 -0.21 -1.26 -1.73 119.66 118.43 1ul7 s GLN 61 Ca 0.13 0.02 -0.16 0.00 0.02 0.00 0.00 55.36 55.38 1ul7 s GLN 61 Cb -0.11 -0.22 0.03 0.00 1.00 0.00 0.00 33.01 33.71 1ul7 s GLN 61 CO 0.03 -0.04 0.35 1.67 -2.12 0.00 0.00 175.29 175.17 1ul7 s TRP 62 N 0.39 -0.18 0.58 0.91 -2.14 -0.75 0.23 118.94 117.98 1ul7 s TRP 62 Ca -0.03 0.14 0.03 0.00 2.66 0.00 0.00 56.10 58.89 1ul7 s TRP 62 Cb -0.06 0.14 0.06 0.00 -3.10 0.00 0.00 33.47 30.51 1ul7 s TRP 62 CO -0.01 -0.50 0.81 -1.21 -2.66 0.00 0.00 176.95 173.38 1ul7 s GLU 63 N -2.21 2.33 -0.23 3.25 0.41 -0.30 -0.93 118.70 121.02 1ul7 s GLU 63 Ca -0.07 -1.02 -0.09 0.00 -0.41 0.00 0.00 54.97 53.38 1ul7 s GLU 63 Cb -0.02 -2.50 0.10 0.00 -1.78 0.00 0.00 34.13 29.93 1ul7 s GLU 63 CO -0.01 -0.86 0.50 -1.64 -0.49 0.00 0.00 175.26 172.76 1ul7 s MET 64 N -4.80 0.43 0.03 1.61 -1.94 -0.87 -3.31 119.30 110.46 1ul7 s MET 64 Ca 0.60 1.13 0.02 0.00 -1.71 0.00 0.00 55.69 55.74 1ul7 s MET 64 Cb -0.09 0.42 -0.02 0.00 2.01 0.00 0.00 34.83 37.16 1ul7 s MET 64 CO 0.39 -0.22 -0.08 -2.00 -0.01 0.00 0.00 175.02 173.10 1ul7 s GLU 65 N 2.48 0.54 -0.32 2.03 2.12 -1.24 -0.79 118.70 123.52 1ul7 s GLU 65 Ca -0.04 -0.66 -0.11 0.00 0.36 0.00 0.00 54.97 54.52 1ul7 s GLU 65 Cb -0.11 -0.37 -0.01 0.00 0.26 0.00 0.00 34.13 33.89 1ul7 s GLU 65 CO -0.15 0.08 0.18 0.08 -0.54 0.00 0.00 175.26 174.91 1ul7 s VAL 66 N -1.11 4.88 0.05 3.70 1.01 -1.20 0.13 120.40 127.87 1ul7 s VAL 66 Ca -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1ul7 s VAL 66 Cb -0.08 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1ul7 s VAL 66 CO 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 175.10 175.10 1ul7 s LYS 68 N -2.09 4.02 -0.16 0.00 -2.85 -1.26 -0.41 119.74 116.99 1ul7 s LYS 68 Ca -0.06 0.54 -0.08 0.00 -1.00 0.00 0.00 55.97 55.37 1ul7 s LYS 68 Cb -0.06 -2.97 -0.04 0.00 -2.06 0.00 0.00 37.83 32.69 1ul7 s LYS 68 CO -0.01 0.50 0.11 -0.51 0.10 0.00 0.00 175.35 175.53 1ul7 s LEU 69 N -1.84 4.16 0.08 2.77 1.02 -1.12 -4.92 118.68 118.83 1ul7 s LEU 69 Ca 0.37 0.28 -0.16 0.00 0.02 0.00 0.00 54.13 54.64 1ul7 s LEU 69 Cb -0.16 -2.04 -0.10 0.00 0.02 0.00 0.00 46.19 43.91 1ul7 s LEU 69 CO 0.19 0.28 1.40 1.55 0.02 0.00 0.00 176.35 179.79 1ul7 h PRO 70 N 5.93 0.61 0.00 1.29 0.13 -1.98 -2.98 132.00 135.00 1ul7 h PRO 70 Ca -0.46 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1ul7 h PRO 70 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1ul7 h PRO 70 CO 0.67 0.92 0.00 0.00 -0.23 0.00 0.00 178.00 179.35 1ul7 h ARG 71 N 0.32 0.00 -6.27 0.86 2.47 -1.98 -3.43 114.38 106.35 1ul7 h ARG 71 Ca 0.04 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.17 1ul7 h ARG 71 Cb 0.80 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.00 1ul7 h ARG 71 CO 0.06 0.00 -0.70 -0.51 0.56 0.00 0.00 179.97 179.38 1ul7 s LEU 72 N -5.98 2.96 -0.50 3.04 1.43 -1.13 -5.03 118.68 113.47 1ul7 s LEU 72 Ca -0.00 -0.75 0.03 0.00 -1.03 0.00 0.00 54.13 52.38 1ul7 s LEU 72 Cb 0.10 -1.51 0.60 0.00 0.03 0.00 0.00 46.19 45.40 1ul7 s LEU 72 CO 0.49 0.04 1.92 -0.24 0.23 0.00 0.00 176.35 178.79 1ul7 n SER 73 N -0.60 4.80 -2.05 2.29 2.88 -1.26 -4.55 113.62 115.13 1ul7 n SER 73 Ca -0.07 -3.67 -0.08 0.00 -1.33 0.00 0.00 58.87 53.72 1ul7 n SER 73 Cb 0.58 -0.86 -0.02 0.00 -0.75 0.00 0.00 64.21 63.16 1ul7 n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ul7 n LEU 74 N -1.08 0.00 -4.99 2.46 -0.00 -1.26 -4.93 117.00 107.19 1ul7 n LEU 74 Ca 0.59 -1.50 -0.19 0.00 -0.00 0.00 0.00 56.01 54.92 1ul7 n LEU 74 Cb 1.36 1.32 0.00 0.00 -0.00 0.00 0.00 43.42 46.10 1ul7 n LEU 74 CO 0.64 -0.34 0.12 0.21 -0.00 0.00 0.00 177.39 178.02 1ul7 s ASN 75 N -2.14 5.82 -0.09 1.45 3.84 -1.26 -2.79 114.94 119.77 1ul7 s ASN 75 Ca 0.15 -0.24 -0.14 0.00 0.21 0.00 0.00 52.86 52.84 1ul7 s ASN 75 Cb -0.00 -1.03 0.03 0.00 -0.55 0.00 0.00 41.25 39.70 1ul7 s ASN 75 CO 0.11 -0.59 0.36 -0.83 -2.79 0.00 0.00 177.10 173.36 1ul7 s GLY 76 N -4.25 -0.24 0.50 1.21 0.00 0.45 -3.36 107.32 101.64 1ul7 s GLY 76 Ca 0.49 0.79 -0.09 0.00 0.00 0.00 0.00 44.72 45.91 1ul7 s GLY 76 CO 0.32 0.61 0.87 0.14 0.00 0.00 0.00 173.10 175.04 1ul7 s VAL 77 N -0.43 4.78 0.10 1.40 1.01 -1.26 -1.69 120.40 124.31 1ul7 s VAL 77 Ca -0.06 0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.59 1ul7 s VAL 77 Cb -0.04 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ul7 s VAL 77 CO 0.02 -0.82 -0.02 -0.60 0.00 0.00 0.00 175.10 173.69 1ul7 s ARG 78 N -4.53 2.47 -0.22 2.72 3.52 0.12 -4.92 118.95 118.11 1ul7 s ARG 78 Ca 0.52 -0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 55.19 1ul7 s ARG 78 Cb -0.10 -2.49 0.08 0.00 -1.56 0.00 0.00 34.95 30.87 1ul7 s ARG 78 CO 0.42 0.53 0.10 -0.06 -0.81 0.00 0.00 175.30 175.48 1ul7 s PHE 79 N -1.32 0.42 -0.25 5.12 0.40 -1.26 -3.72 117.98 117.37 1ul7 s PHE 79 Ca 0.25 -0.65 -0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1ul7 s PHE 79 Cb -0.11 -0.86 0.02 0.00 0.51 0.00 0.00 43.02 42.58 1ul7 s PHE 79 CO 0.18 -0.65 -0.06 0.21 0.70 0.00 0.00 175.22 175.59 1ul7 s LYS 80 N 2.06 2.85 -0.28 0.44 2.20 -1.21 -4.95 119.74 120.86 1ul7 s LYS 80 Ca 0.04 -0.96 -0.29 0.00 -0.36 0.00 0.00 55.97 54.40 1ul7 s LYS 80 Cb -0.16 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1ul7 s LYS 80 CO -0.19 -0.39 1.27 0.50 -0.36 0.00 0.00 175.35 176.18 1ul7 s ARG 81 N 1.33 3.98 -0.16 4.03 3.52 -1.26 -1.15 118.95 129.24 1ul7 s ARG 81 Ca 0.00 1.29 -0.13 0.00 -0.13 0.00 0.00 55.73 56.77 1ul7 s ARG 81 Cb -0.16 -3.84 -0.09 0.00 -1.56 0.00 0.00 34.95 29.29 1ul7 s ARG 81 CO -0.05 -1.03 0.03 0.82 -0.81 0.00 0.00 175.30 174.26 1ul7 h ILE 82 N 5.86 0.40 -4.88 4.11 1.08 -0.58 -3.49 117.51 120.01 1ul7 h ILE 82 Ca -0.25 -1.45 -0.56 0.00 -0.39 0.00 0.00 64.86 62.20 1ul7 h ILE 82 Cb 1.09 0.90 -0.12 0.00 -3.07 0.00 0.00 36.82 35.63 1ul7 h ILE 82 CO 1.02 0.13 -0.44 -1.54 -0.69 0.00 0.00 178.15 176.64 1ul7 n SER 83 N -4.58 2.18 -0.21 1.72 3.41 -1.05 -4.97 113.62 110.12 1ul7 n SER 83 Ca -0.14 -3.04 0.03 0.00 -0.26 0.00 0.00 58.87 55.45 1ul7 n SER 83 Cb 0.38 0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 64.98 1ul7 n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ul7 n GLY 84 N -0.61 -2.27 3.17 5.00 0.00 -1.26 -4.14 105.19 105.08 1ul7 n GLY 84 Ca -0.12 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 1ul7 n GLY 84 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ul7 n THR 85 N -2.62 0.00 0.09 2.61 5.66 -1.26 -4.84 114.28 113.91 1ul7 n THR 85 Ca -0.01 -1.21 -0.12 0.00 -3.05 0.00 0.00 64.05 59.66 1ul7 n THR 85 Cb 0.10 -1.08 -0.06 0.00 -1.55 0.00 0.00 70.33 67.74 1ul7 n THR 85 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 1ul7 h SER 86 N -0.64 -0.39 0.25 1.09 4.64 -1.98 0.80 113.55 117.32 1ul7 h SER 86 Ca -0.28 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1ul7 h SER 86 Cb 0.99 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1ul7 h SER 86 CO 0.28 -0.21 -0.14 0.40 -0.87 0.00 0.00 176.83 176.30 1ul7 h ILE 87 N -0.28 0.00 -0.69 0.95 2.04 -1.99 -0.54 117.51 117.00 1ul7 h ILE 87 Ca 0.02 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.08 1ul7 h ILE 87 Cb 0.29 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1ul7 h ILE 87 CO -0.08 0.00 0.71 0.00 0.00 0.00 0.00 178.15 178.78 1ul7 h ALA 88 N -1.74 2.49 -0.04 1.87 0.00 -1.95 0.18 119.26 120.08 1ul7 h ALA 88 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ul7 h ALA 88 Cb 0.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ul7 h ALA 88 CO 0.04 -1.06 0.00 0.34 0.00 0.00 0.00 179.25 178.57 1ul7 n PHE 89 N -3.66 0.00 -0.01 0.00 7.35 0.27 -3.72 117.46 117.69 1ul7 n PHE 89 Ca 0.14 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 57.04 1ul7 n PHE 89 Cb 0.95 -0.49 0.70 0.00 0.35 0.00 0.00 39.48 40.99 1ul7 n PHE 89 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1ul7 h LYS 90 N 0.00 0.00 -0.65 -4.13 3.11 -0.65 -0.56 116.57 113.69 1ul7 h LYS 90 Ca 0.00 0.00 0.14 0.00 -2.81 0.00 0.00 60.65 57.98 1ul7 h LYS 90 Cb 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 32.23 31.12 1ul7 h LYS 90 CO 0.00 0.00 0.05 -0.91 -2.81 0.00 0.00 179.45 175.78 1ul7 h ASN 91 N 0.00 -0.20 0.50 4.20 4.21 -0.75 0.68 115.58 124.22 1ul7 h ASN 91 Ca 0.26 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.93 1ul7 h ASN 91 Cb 1.09 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 1ul7 h ASN 91 CO -0.00 -0.10 -1.29 0.00 -1.29 0.00 0.00 177.43 174.75 1ul7 n ILE 92 N -5.25 0.28 -0.11 2.81 0.13 -0.62 -4.18 119.36 112.42 1ul7 n ILE 92 Ca 0.10 -0.42 -0.10 0.00 -1.10 0.00 0.00 62.75 61.24 1ul7 n ILE 92 Cb 0.38 -0.03 0.04 0.00 -0.84 0.00 0.00 39.64 39.19 1ul7 n ILE 92 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1ul7 h ALA 93 N 2.20 0.76 -0.67 1.51 0.00 0.03 -3.07 119.26 120.01 1ul7 h ALA 93 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1ul7 h ALA 93 Cb 0.90 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1ul7 h ALA 93 CO 0.00 0.66 0.16 1.03 0.00 0.00 0.00 179.25 181.10 1ul7 h SER 94 N 0.73 1.02 -0.68 0.00 0.87 -1.08 -1.40 113.55 113.01 1ul7 h SER 94 Ca 0.09 -0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1ul7 h SER 94 Cb 0.82 -0.27 -0.07 0.00 -0.44 0.00 0.00 62.40 62.45 1ul7 h SER 94 CO 0.07 0.99 0.34 0.11 -0.53 0.00 0.00 176.83 177.80 1ul7 h LYS 95 N 1.00 0.57 0.30 2.24 1.79 -1.71 0.42 116.57 121.19 1ul7 h LYS 95 Ca 0.21 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.63 1ul7 h LYS 95 Cb 0.37 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1ul7 h LYS 95 CO 0.00 0.38 -0.14 0.82 -1.08 0.00 0.00 179.45 179.43 1ul7 h ILE 96 N 0.59 0.51 -0.21 1.86 1.08 -1.45 0.14 117.51 120.03 1ul7 h ILE 96 Ca 0.33 -0.81 0.06 0.00 -0.39 0.00 0.00 64.86 64.05 1ul7 h ILE 96 Cb 0.32 0.82 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1ul7 h ILE 96 CO -0.25 0.12 0.42 0.00 -0.69 0.00 0.00 178.15 177.75 1ul7 h ALA 97 N -0.59 1.75 -0.46 1.87 0.00 -1.11 -1.37 119.26 119.35 1ul7 h ALA 97 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ul7 h ALA 97 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ul7 h ALA 97 CO 0.07 -0.53 0.00 -1.71 0.00 0.00 0.00 179.25 177.08 1ul7 n ASN 98 N -3.27 0.00 -0.61 0.00 2.85 0.12 -4.33 115.26 110.03 1ul7 n ASN 98 Ca 0.03 0.15 0.46 0.00 -0.11 0.00 0.00 54.58 55.11 1ul7 n ASN 98 Cb 0.53 -0.42 0.71 0.00 1.24 0.00 0.00 39.78 41.84 1ul7 n ASN 98 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1ul7 n GLU 99 N -2.14 0.00 -1.68 1.20 1.02 0.48 -4.16 120.64 115.36 1ul7 n GLU 99 Ca 0.00 0.95 -0.40 0.00 -0.02 0.00 0.00 57.16 57.69 1ul7 n GLU 99 Cb 0.00 -2.22 -0.03 0.00 -0.02 0.00 0.00 31.44 29.18 1ul7 n GLU 99 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ul7 s LEU 100 N -7.32 3.42 -0.37 -4.62 1.43 -0.52 -4.84 118.68 105.86 1ul7 s LEU 100 Ca -0.04 1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 54.46 1ul7 s LEU 100 Cb 0.23 -3.12 0.11 0.00 0.03 0.00 0.00 46.19 43.44 1ul7 s LEU 100 CO 0.77 -2.25 2.51 0.29 0.23 0.00 0.00 176.35 177.90 1ul7 n LYS 101 N 8.83 2.14 0.00 1.70 5.02 -1.26 -5.00 118.16 129.58 1ul7 n LYS 101 Ca 0.30 -1.96 0.15 0.00 -2.02 0.00 0.00 58.31 54.79 1ul7 n LYS 101 Cb 0.49 -1.92 0.72 0.00 -0.02 0.00 0.00 35.03 34.30 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16