#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 6.60 -1.73 1.61 0.01 -1.26 -4.31 113.70 114.62 1ul7 s SER 2 Ca 0.00 0.72 -0.16 0.00 1.31 0.00 0.00 55.95 57.82 1ul7 s SER 2 Cb 0.00 -2.15 0.15 0.00 0.21 0.00 0.00 66.02 64.23 1ul7 s SER 2 CO 0.00 0.26 0.54 -1.20 0.41 0.00 0.00 173.24 173.24 1ul7 n SER 3 N 1.28 -1.67 -2.80 2.44 7.64 -1.26 -2.88 113.62 116.37 1ul7 n SER 3 Ca -0.12 -1.16 -0.17 0.00 1.01 0.00 0.00 58.87 58.44 1ul7 n SER 3 Cb 0.53 -2.08 0.02 0.00 -1.01 0.00 0.00 64.21 61.66 1ul7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ul7 n GLY 4 N -1.51 0.08 3.09 0.23 0.00 -1.26 -4.97 105.19 100.85 1ul7 n GLY 4 Ca -0.01 0.48 -0.20 0.00 0.00 0.00 0.00 46.02 46.30 1ul7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ul7 s SER 5 N -0.97 1.44 1.14 1.61 0.15 -1.14 -5.09 113.70 110.84 1ul7 s SER 5 Ca 0.16 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 1ul7 s SER 5 Cb -0.02 -0.13 0.19 0.00 -1.71 0.00 0.00 66.02 64.35 1ul7 s SER 5 CO 0.36 0.09 0.32 -1.54 1.20 0.00 0.00 173.24 173.68 1ul7 n SER 6 N 2.44 -2.88 -1.04 5.45 3.41 -1.26 -4.74 113.62 115.01 1ul7 n SER 6 Ca -0.16 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 1ul7 n SER 6 Cb 0.56 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 1ul7 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ul7 n GLY 7 N 2.12 -3.86 2.99 5.00 0.00 -1.26 -4.97 105.19 105.21 1ul7 n GLY 7 Ca 0.05 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 1ul7 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ul7 s ARG 8 N -4.71 2.08 0.16 1.61 1.81 -1.26 -4.88 118.95 113.76 1ul7 s ARG 8 Ca 0.00 -0.47 -0.32 0.00 -1.72 0.00 0.00 55.73 53.22 1ul7 s ARG 8 Cb 0.00 -1.96 -0.16 0.00 -0.45 0.00 0.00 34.95 32.38 1ul7 s ARG 8 CO 0.00 -0.25 1.01 1.19 -0.68 0.00 0.00 175.30 176.57 1ul7 n PHE 9 N 4.82 0.84 -0.24 -0.53 3.72 -1.26 -4.84 117.46 119.97 1ul7 n PHE 9 Ca -0.16 0.80 0.02 0.00 -0.05 0.00 0.00 57.45 58.07 1ul7 n PHE 9 Cb 0.50 -2.18 0.15 0.00 -0.94 0.00 0.00 39.48 37.01 1ul7 n PHE 9 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1ul7 h THR 10 N 2.32 0.78 -3.72 4.37 2.02 -2.06 -3.41 112.91 113.21 1ul7 h THR 10 Ca -0.41 -0.18 -0.50 0.00 0.77 0.00 0.00 66.41 66.09 1ul7 h THR 10 Cb 1.38 0.21 -0.32 0.00 -1.74 0.00 0.00 68.15 67.67 1ul7 h THR 10 CO 0.66 0.10 -0.81 0.26 0.37 0.00 0.00 175.52 176.09 1ul7 s TRP 11 N -6.05 1.38 -0.68 3.16 0.51 -1.26 -5.09 118.94 110.90 1ul7 s TRP 11 Ca -0.13 -0.42 -0.26 0.00 -2.12 0.00 0.00 56.10 53.18 1ul7 s TRP 11 Cb 0.19 -0.97 0.04 0.00 -0.81 0.00 0.00 33.47 31.92 1ul7 s TRP 11 CO 0.76 -0.18 1.16 0.45 -0.51 0.00 0.00 176.95 178.63 1ul7 s SER 12 N 0.29 6.21 -1.23 2.95 0.15 -1.26 -4.95 113.70 115.86 1ul7 s SER 12 Ca -0.07 -0.53 -0.13 0.00 0.70 0.00 0.00 55.95 55.93 1ul7 s SER 12 Cb -0.12 -2.51 0.17 0.00 -1.71 0.00 0.00 66.02 61.85 1ul7 s SER 12 CO 0.02 -1.64 1.55 0.80 1.20 0.00 0.00 173.24 175.17 1ul7 n MET 13 N 8.66 3.42 0.08 5.44 1.56 -1.26 -4.74 117.12 130.28 1ul7 n MET 13 Ca 0.02 -3.76 -0.06 0.00 -0.27 0.00 0.00 57.70 53.63 1ul7 n MET 13 Cb 0.48 -3.03 -0.05 0.00 2.15 0.00 0.00 33.22 32.77 1ul7 n MET 13 CO 0.00 0.00 0.00 1.57 -0.73 0.00 0.00 175.97 176.81 1ul7 h LYS 14 N 6.82 0.01 -5.56 2.12 2.10 -1.92 -3.43 116.57 116.71 1ul7 h LYS 14 Ca 0.34 -0.02 -0.63 0.00 -2.00 0.00 0.00 60.65 58.35 1ul7 h LYS 14 Cb 0.82 0.01 -0.13 0.00 -0.90 0.00 0.00 32.23 32.02 1ul7 h LYS 14 CO 1.34 0.91 0.21 0.99 -2.00 0.00 0.00 179.45 180.90 1ul7 s THR 15 N -2.94 4.83 -0.16 0.07 2.01 -1.26 -5.04 115.64 113.16 1ul7 s THR 15 Ca 0.00 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1ul7 s THR 15 Cb 0.11 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.49 1ul7 s THR 15 CO 0.81 -0.39 -0.18 0.42 -0.69 0.00 0.00 174.62 174.58 1ul7 s THR 16 N 2.84 2.33 0.58 -0.82 -4.23 -1.26 -3.98 115.64 111.10 1ul7 s THR 16 Ca 0.26 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 1ul7 s THR 16 Cb -0.14 -1.97 0.11 0.00 1.34 0.00 0.00 72.50 71.84 1ul7 s THR 16 CO 0.16 0.53 0.80 -1.20 -0.54 0.00 0.00 174.62 174.37 1ul7 n SER 17 N 4.24 1.35 0.00 3.99 7.64 -0.86 -4.96 113.62 125.02 1ul7 n SER 17 Ca -0.20 -2.07 0.00 0.00 1.01 0.00 0.00 58.87 57.61 1ul7 n SER 17 Cb 0.51 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1ul7 n SER 17 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ul7 n SER 18 N -2.77 0.60 -4.00 6.43 3.41 -1.26 -4.30 113.62 111.74 1ul7 n SER 18 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.46 1ul7 n SER 18 Cb 0.50 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.71 1ul7 n SER 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ul7 s MET 19 N -1.94 -1.67 0.84 4.33 0.23 -1.26 -4.91 119.30 114.92 1ul7 s MET 19 Ca 0.00 0.37 -0.11 0.00 -1.03 0.00 0.00 55.69 54.92 1ul7 s MET 19 Cb 0.00 -1.51 0.10 0.00 -1.53 0.00 0.00 34.83 31.89 1ul7 s MET 19 CO 0.00 -4.10 1.11 -0.51 -2.03 0.00 0.00 175.02 169.49 1ul7 s ASP 20 N -3.09 3.80 0.49 -1.18 1.11 -1.26 -4.82 116.67 111.73 1ul7 s ASP 20 Ca 0.69 1.88 0.28 0.00 0.18 0.00 0.00 52.55 55.58 1ul7 s ASP 20 Cb -0.17 -2.48 1.18 0.00 1.07 0.00 0.00 42.92 42.51 1ul7 s ASP 20 CO 0.60 -2.49 1.93 1.55 1.18 0.00 0.00 175.17 177.94 1ul7 h PRO 21 N -1.45 0.00 0.00 8.23 0.13 -1.97 -2.96 132.00 133.99 1ul7 h PRO 21 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ul7 h PRO 21 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ul7 h PRO 21 CO 0.49 0.13 0.19 1.03 -0.23 0.00 0.00 178.00 179.61 1ul7 h SER 22 N 0.00 0.00 0.13 1.44 0.87 -2.03 -0.54 113.55 113.42 1ul7 h SER 22 Ca -0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 1ul7 h SER 22 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1ul7 h SER 22 CO 0.02 0.00 -1.73 0.44 -0.53 0.00 0.00 176.83 175.03 1ul7 h ASP 23 N 0.00 0.44 -0.14 6.23 3.32 -1.90 -3.40 116.42 120.97 1ul7 h ASP 23 Ca 0.00 -0.89 0.02 0.00 0.02 0.00 0.00 57.03 56.18 1ul7 h ASP 23 Cb 0.39 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1ul7 h ASP 23 CO 0.00 1.75 -0.37 0.24 -1.72 0.00 0.00 179.24 179.14 1ul7 h MET 24 N -0.09 -0.35 -1.54 3.56 2.86 -1.24 0.28 114.93 118.40 1ul7 h MET 24 Ca -0.37 0.02 0.45 0.00 -2.06 0.00 0.00 59.70 57.74 1ul7 h MET 24 Cb 1.93 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 33.61 1ul7 h MET 24 CO 0.09 -0.23 1.22 -1.33 1.06 0.00 0.00 176.91 177.71 1ul7 n MET 25 N -4.52 0.00 -0.01 1.72 2.81 -1.18 0.19 117.12 116.14 1ul7 n MET 25 Ca -0.04 0.95 -0.21 0.00 -1.81 0.00 0.00 57.70 56.58 1ul7 n MET 25 Cb 0.25 -2.23 -0.14 0.00 -0.71 0.00 0.00 33.22 30.40 1ul7 n MET 25 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1ul7 n ARG 26 N -3.52 0.74 0.03 0.03 0.63 0.69 -4.09 116.66 111.17 1ul7 n ARG 26 Ca 0.35 0.29 -0.13 0.00 -0.92 0.00 0.00 57.85 57.44 1ul7 n ARG 26 Cb 1.68 -1.71 -0.09 0.00 0.45 0.00 0.00 32.46 32.80 1ul7 n ARG 26 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1ul7 h GLU 27 N -0.03 -0.07 -0.82 -0.14 4.57 0.50 -1.79 114.58 116.79 1ul7 h GLU 27 Ca -0.42 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 57.93 1ul7 h GLU 27 Cb 1.96 0.01 -0.16 0.00 -0.16 0.00 0.00 28.75 30.41 1ul7 h GLU 27 CO 0.05 0.21 -0.17 0.82 -1.18 0.00 0.00 179.01 178.74 1ul7 h ILE 28 N -0.34 0.19 -0.27 2.32 2.04 -0.62 0.46 117.51 121.29 1ul7 h ILE 28 Ca -0.01 -0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.71 1ul7 h ILE 28 Cb 0.31 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1ul7 h ILE 28 CO 0.01 0.00 -0.39 0.03 0.00 0.00 0.00 178.15 177.80 1ul7 h ARG 29 N 0.01 0.63 0.39 2.37 3.08 -1.69 -2.83 114.38 116.34 1ul7 h ARG 29 Ca 0.41 -0.32 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1ul7 h ARG 29 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1ul7 h ARG 29 CO -0.83 0.91 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.58 1ul7 h LYS 30 N 0.52 -0.50 -0.38 0.04 3.64 0.67 -0.31 116.57 120.26 1ul7 h LYS 30 Ca 0.05 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1ul7 h LYS 30 Cb 0.90 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.76 1ul7 h LYS 30 CO 0.08 -0.33 -0.51 0.28 -2.27 0.00 0.00 179.45 176.70 1ul7 h VAL 31 N -0.56 0.00 -0.37 2.00 2.07 -0.77 -1.68 116.25 116.94 1ul7 h VAL 31 Ca -0.05 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1ul7 h VAL 31 Cb 0.40 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.08 1ul7 h VAL 31 CO 0.09 0.00 -0.30 -0.07 0.02 0.00 0.00 177.57 177.31 1ul7 h LEU 32 N -0.36 -0.98 -1.30 2.57 3.38 -1.57 0.32 115.31 117.36 1ul7 h LEU 32 Ca 0.07 0.18 0.41 0.00 0.09 0.00 0.00 57.88 58.63 1ul7 h LEU 32 Cb 0.54 0.47 -0.14 0.00 0.09 0.00 0.00 40.66 41.62 1ul7 h LEU 32 CO -0.55 -0.31 0.77 1.23 0.09 0.00 0.00 178.44 179.68 1ul7 h GLY 33 N -0.24 1.52 1.10 0.83 0.00 -0.11 0.72 103.07 106.89 1ul7 h GLY 33 Ca 0.17 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.18 1ul7 h GLY 33 CO -0.50 -0.45 -0.58 0.00 0.00 0.00 0.00 176.54 175.00 1ul7 h ALA 34 N 1.68 0.37 -0.18 3.60 0.00 -0.54 -3.20 119.26 120.98 1ul7 h ALA 34 Ca 0.80 -0.53 -0.16 0.00 0.00 0.00 0.00 54.91 55.03 1ul7 h ALA 34 Cb 2.37 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 20.04 1ul7 h ALA 34 CO -0.48 0.61 0.10 0.09 0.00 0.00 0.00 179.25 179.57 1ul7 n ASN 35 N -4.05 5.76 -3.01 0.00 3.02 0.25 -4.77 115.26 112.45 1ul7 n ASN 35 Ca -0.06 -2.68 -0.19 0.00 -0.03 0.00 0.00 54.58 51.63 1ul7 n ASN 35 Cb 0.64 -1.16 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 1ul7 n ASN 35 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ul7 n ASN 36 N 1.25 -1.09 -4.92 6.41 4.05 -1.16 -4.85 115.26 114.94 1ul7 n ASN 36 Ca 0.19 -0.40 -0.29 0.00 0.45 0.00 0.00 54.58 54.53 1ul7 n ASN 36 Cb 0.59 -0.99 -0.04 0.00 1.23 0.00 0.00 39.78 40.57 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ul7 s ASP 38 N -2.83 4.76 -0.06 0.00 1.01 0.46 -4.16 116.67 115.85 1ul7 s ASP 38 Ca 0.37 -0.07 0.01 0.00 0.71 0.00 0.00 52.55 53.58 1ul7 s ASP 38 Cb -0.12 -1.51 0.02 0.00 1.01 0.00 0.00 42.92 42.32 1ul7 s ASP 38 CO 0.28 0.27 -0.06 -0.72 0.21 0.00 0.00 175.17 175.14 1ul7 s TYR 39 N -0.22 1.00 -0.06 4.23 -0.85 -1.25 0.12 117.35 120.32 1ul7 s TYR 39 Ca 0.04 -0.35 0.05 0.00 -0.52 0.00 0.00 57.07 56.28 1ul7 s TYR 39 Cb -0.13 -0.86 -0.02 0.00 0.38 0.00 0.00 41.96 41.33 1ul7 s TYR 39 CO 0.02 -0.28 -0.19 -1.21 -1.52 0.00 0.00 175.55 172.37 1ul7 s GLU 40 N 1.14 2.56 -0.62 -3.49 0.41 -1.18 -4.86 118.70 112.66 1ul7 s GLU 40 Ca -0.07 -0.79 -0.27 0.00 -0.41 0.00 0.00 54.97 53.43 1ul7 s GLU 40 Cb -0.14 -2.29 -0.01 0.00 -1.78 0.00 0.00 34.13 29.90 1ul7 s GLU 40 CO -0.01 0.50 1.78 -1.14 -0.49 0.00 0.00 175.26 175.89 1ul7 s GLN 41 N -0.42 2.73 -0.12 1.61 2.00 -1.26 -1.10 119.66 123.10 1ul7 s GLN 41 Ca 0.04 0.51 -0.07 0.00 -2.00 0.00 0.00 55.36 53.84 1ul7 s GLN 41 Cb -0.12 -4.35 -0.02 0.00 0.80 0.00 0.00 33.01 29.31 1ul7 s GLN 41 CO 0.02 -2.62 -0.14 0.00 -0.50 0.00 0.00 175.29 172.04 1ul7 h ARG 42 N 14.20 0.00 0.00 1.67 2.47 -1.87 -3.49 114.38 127.36 1ul7 h ARG 42 Ca -0.26 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.93 1ul7 h ARG 42 Cb 1.15 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.43 1ul7 h ARG 42 CO 1.22 0.00 -0.24 0.39 0.56 0.00 0.00 179.97 181.90 1ul7 n GLU 43 N -4.25 0.74 -0.06 0.04 -0.58 -1.22 -4.97 120.64 110.34 1ul7 n GLU 43 Ca -0.06 -3.14 -0.12 0.00 -0.42 0.00 0.00 57.16 53.42 1ul7 n GLU 43 Cb 0.21 0.31 -0.06 0.00 -0.57 0.00 0.00 31.44 31.33 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 -0.41 -0.12 3.49 2.43 -2.03 -2.97 114.38 114.78 1ul7 h ARG 44 Ca -0.32 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 1ul7 h ARG 44 Cb 1.17 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.74 1ul7 h ARG 44 CO 0.49 -0.27 -0.55 1.19 -1.51 0.00 0.00 179.97 179.32 1ul7 n PHE 45 N -5.42 0.43 -4.46 2.20 3.01 -1.26 -5.03 117.46 106.91 1ul7 n PHE 45 Ca -0.03 -1.61 -0.24 0.00 1.01 0.00 0.00 57.45 56.58 1ul7 n PHE 45 Cb 0.36 -0.26 -0.10 0.00 -0.01 0.00 0.00 39.48 39.46 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 -3.28 2.57 0.07 4.37 0.20 -1.12 -2.58 118.68 118.91 1ul7 s LEU 46 Ca 0.40 -1.01 -0.16 0.00 0.69 0.00 0.00 54.13 54.05 1ul7 s LEU 46 Cb 0.38 -1.11 0.03 0.00 -0.43 0.00 0.00 46.19 45.06 1ul7 s LEU 46 CO -0.05 0.05 0.38 -0.76 -0.29 0.00 0.00 176.35 175.67 1ul7 s LEU 47 N -3.41 0.54 -0.57 -0.68 1.43 -1.25 -2.86 118.68 111.89 1ul7 s LEU 47 Ca 0.29 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 1ul7 s LEU 47 Cb -0.05 1.66 0.14 0.00 0.03 0.00 0.00 46.19 47.97 1ul7 s LEU 47 CO 0.14 -0.71 0.52 0.12 0.23 0.00 0.00 176.35 176.66 1ul7 s PHE 48 N -2.92 3.33 0.03 0.29 5.36 -0.26 -2.16 117.98 121.66 1ul7 s PHE 48 Ca -0.02 -1.44 -0.30 0.00 -0.96 0.00 0.00 56.93 54.21 1ul7 s PHE 48 Cb 0.00 -3.78 -0.05 0.00 -0.34 0.00 0.00 43.02 38.86 1ul7 s PHE 48 CO -0.06 -1.01 1.22 0.00 -1.46 0.00 0.00 175.22 173.91 1ul7 s VAL 50 N 1.47 0.76 0.00 0.00 1.01 0.12 -1.58 120.40 122.18 1ul7 s VAL 50 Ca 0.58 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1ul7 s VAL 50 Cb -0.28 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1ul7 s VAL 50 CO 0.27 0.25 0.07 -2.28 0.00 0.00 0.00 175.10 173.41 1ul7 s HIS 51 N 0.35 0.09 -0.41 5.22 2.46 -1.10 -0.40 115.29 121.50 1ul7 s HIS 51 Ca -0.06 -0.21 0.09 0.00 0.47 0.00 0.00 55.06 55.35 1ul7 s HIS 51 Cb -0.10 -0.08 0.30 0.00 -0.13 0.00 0.00 32.58 32.56 1ul7 s HIS 51 CO 0.01 -0.21 0.77 0.41 -2.47 0.00 0.00 174.74 173.25 1ul7 n GLY 52 N 1.80 2.22 2.21 1.59 0.00 -1.26 -2.84 105.19 108.91 1ul7 n GLY 52 Ca -0.21 -1.03 -0.19 0.00 0.00 0.00 0.00 46.02 44.59 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 0.87 5.93 0.00 1.61 2.03 -1.26 -4.77 116.55 120.95 1ul7 n ASP 53 Ca 0.18 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.71 1ul7 n ASP 53 Cb 0.62 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 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 1.92 -0.46 3.91 0.27 0.00 -1.26 -5.15 105.19 104.43 1ul7 n GLY 54 Ca 0.47 0.25 -0.27 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 3.53 -1.81 1.61 3.76 -1.26 -4.97 115.29 116.15 1ul7 s HIS 55 Ca 0.00 0.75 0.28 0.00 -0.15 0.00 0.00 55.06 55.94 1ul7 s HIS 55 Cb 0.00 -2.30 1.60 0.00 1.11 0.00 0.00 32.58 32.98 1ul7 s HIS 55 CO 0.00 -0.29 2.01 0.00 -0.85 0.00 0.00 174.74 175.61 1ul7 n ALA 56 N -2.24 2.49 0.98 -1.40 0.00 -1.26 -2.65 120.51 116.44 1ul7 n ALA 56 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.39 1ul7 n ALA 56 Cb 0.55 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 1ul7 n ALA 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ul7 n GLU 57 N -1.09 0.95 -0.06 0.00 0.28 -1.26 -4.19 120.64 115.26 1ul7 n GLU 57 Ca 0.19 -0.74 0.06 0.00 -0.16 0.00 0.00 57.16 56.51 1ul7 n GLU 57 Cb 0.14 -1.47 0.09 0.00 1.43 0.00 0.00 31.44 31.63 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ul7 n ASN 58 N -0.40 2.28 -4.73 -1.84 0.23 -1.08 -5.06 115.26 104.66 1ul7 n ASN 58 Ca 0.08 -2.68 -0.36 0.00 -0.53 0.00 0.00 54.58 51.09 1ul7 n ASN 58 Cb 0.43 -0.28 0.08 0.00 -2.08 0.00 0.00 39.78 37.93 1ul7 n ASN 58 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1ul7 s LEU 59 N -2.17 3.50 -0.06 -4.53 0.20 -1.23 -4.94 118.68 109.45 1ul7 s LEU 59 Ca 0.21 2.55 0.04 0.00 0.69 0.00 0.00 54.13 57.62 1ul7 s LEU 59 Cb 0.18 -4.61 -0.00 0.00 -0.43 0.00 0.00 46.19 41.33 1ul7 s LEU 59 CO 0.02 -2.09 -0.20 -0.69 -0.29 0.00 0.00 176.35 173.10 1ul7 s VAL 60 N -1.57 1.69 -0.09 1.68 1.01 -1.13 -4.67 120.40 117.32 1ul7 s VAL 60 Ca 0.80 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1ul7 s VAL 60 Cb -0.35 -1.45 0.02 0.00 0.00 0.00 0.00 36.38 34.60 1ul7 s VAL 60 CO 0.41 0.48 -0.08 -1.10 0.00 0.00 0.00 175.10 174.80 1ul7 s GLN 61 N 0.16 1.48 0.20 2.72 -0.21 -1.26 -2.70 119.66 120.04 1ul7 s GLN 61 Ca -0.09 -0.27 -0.10 0.00 0.02 0.00 0.00 55.36 54.92 1ul7 s GLN 61 Cb -0.14 -1.44 -0.01 0.00 1.00 0.00 0.00 33.01 32.42 1ul7 s GLN 61 CO 0.04 -0.17 0.34 1.67 -2.12 0.00 0.00 175.29 175.06 1ul7 s TRP 62 N 1.34 0.44 0.14 0.91 -2.14 -0.62 -2.52 118.94 116.50 1ul7 s TRP 62 Ca -0.02 -0.78 0.07 0.00 2.66 0.00 0.00 56.10 58.02 1ul7 s TRP 62 Cb -0.14 -0.01 -0.04 0.00 -3.10 0.00 0.00 33.47 30.19 1ul7 s TRP 62 CO -0.04 -0.81 -0.02 -1.21 -2.66 0.00 0.00 176.95 172.21 1ul7 s GLU 63 N -4.00 2.39 -0.35 3.25 2.02 -1.07 0.14 118.70 121.07 1ul7 s GLU 63 Ca 0.21 -1.03 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 1ul7 s GLU 63 Cb 0.02 -2.39 0.12 0.00 0.10 0.00 0.00 34.13 31.98 1ul7 s GLU 63 CO 0.04 0.48 0.17 -1.64 0.02 0.00 0.00 175.26 174.34 1ul7 s MET 64 N -2.67 0.73 0.09 1.61 -1.94 -0.92 -1.88 119.30 114.32 1ul7 s MET 64 Ca 0.26 -1.31 -0.02 0.00 -1.71 0.00 0.00 55.69 52.91 1ul7 s MET 64 Cb -0.10 -1.74 -0.05 0.00 2.01 0.00 0.00 34.83 34.96 1ul7 s MET 64 CO 0.18 -1.11 0.27 -2.00 -0.01 0.00 0.00 175.02 172.35 1ul7 s GLU 65 N 1.19 3.51 -0.03 2.03 2.12 -1.22 -3.78 118.70 122.53 1ul7 s GLU 65 Ca 0.14 -0.30 -0.03 0.00 0.36 0.00 0.00 54.97 55.14 1ul7 s GLU 65 Cb -0.21 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 1ul7 s GLU 65 CO -0.12 0.56 0.14 0.08 -0.54 0.00 0.00 175.26 175.38 1ul7 s VAL 66 N -1.56 5.23 -0.03 3.70 1.01 -1.07 -2.26 120.40 125.44 1ul7 s VAL 66 Ca 0.37 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1ul7 s VAL 66 Cb -0.13 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 32.97 1ul7 s VAL 66 CO 0.26 0.39 1.22 0.00 0.00 0.00 0.00 175.10 176.97 1ul7 s LYS 68 N -2.56 3.78 0.10 0.00 -2.85 -1.26 -1.51 119.74 115.44 1ul7 s LYS 68 Ca 0.13 0.51 -0.13 0.00 -1.00 0.00 0.00 55.97 55.48 1ul7 s LYS 68 Cb 0.03 -2.36 -0.06 0.00 -2.06 0.00 0.00 37.83 33.38 1ul7 s LYS 68 CO -0.03 -0.08 0.48 -0.51 0.10 0.00 0.00 175.35 175.31 1ul7 s LEU 69 N -3.94 4.37 0.09 2.77 1.02 0.48 -4.87 118.68 118.60 1ul7 s LEU 69 Ca 0.52 0.98 -0.16 0.00 0.02 0.00 0.00 54.13 55.49 1ul7 s LEU 69 Cb -0.10 -3.07 -0.10 0.00 0.02 0.00 0.00 46.19 42.94 1ul7 s LEU 69 CO 0.32 0.16 1.40 1.55 0.02 0.00 0.00 176.35 179.81 1ul7 h PRO 70 N 3.80 0.63 0.18 1.29 0.13 -1.98 -3.32 132.00 132.73 1ul7 h PRO 70 Ca -0.49 -0.33 -0.27 0.00 -0.87 0.00 0.00 66.00 64.04 1ul7 h PRO 70 Cb 1.20 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1ul7 h PRO 70 CO 0.65 0.94 -1.23 0.00 -0.23 0.00 0.00 178.00 178.13 1ul7 h ARG 71 N 0.35 0.37 -5.89 0.86 2.47 -1.99 -3.46 114.38 107.10 1ul7 h ARG 71 Ca 0.04 -0.64 -0.66 0.00 -1.26 0.00 0.00 59.98 57.46 1ul7 h ARG 71 Cb 0.82 0.24 -0.10 0.00 -1.65 0.00 0.00 29.97 29.28 1ul7 h ARG 71 CO 0.06 1.30 -0.56 -0.51 0.56 0.00 0.00 179.97 180.83 1ul7 s LEU 72 N -7.68 3.97 -0.19 3.04 1.02 -1.25 -5.00 118.68 112.60 1ul7 s LEU 72 Ca -0.14 0.24 -0.03 0.00 0.02 0.00 0.00 54.13 54.23 1ul7 s LEU 72 Cb 0.03 -2.13 -0.00 0.00 0.02 0.00 0.00 46.19 44.11 1ul7 s LEU 72 CO 0.86 0.33 2.61 -1.20 0.02 0.00 0.00 176.35 178.97 1ul7 n SER 73 N 1.61 5.87 -3.08 2.29 7.64 -1.26 -3.30 113.62 123.39 1ul7 n SER 73 Ca -0.16 -2.78 -0.16 0.00 1.01 0.00 0.00 58.87 56.77 1ul7 n SER 73 Cb 0.53 -1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.48 1ul7 n SER 73 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ul7 n LEU 74 N 1.32 0.00 -4.16 -3.43 4.77 -1.26 -4.95 117.00 109.28 1ul7 n LEU 74 Ca 0.30 -1.90 -0.31 0.00 -0.03 0.00 0.00 56.01 54.08 1ul7 n LEU 74 Cb 0.64 0.53 -0.17 0.00 -2.33 0.00 0.00 43.42 42.09 1ul7 n LEU 74 CO 0.21 -0.29 -0.54 0.20 -1.33 0.00 0.00 177.39 175.64 1ul7 s ASN 75 N -2.56 2.82 0.09 -1.43 -0.87 -1.26 -0.38 114.94 111.34 1ul7 s ASN 75 Ca 0.10 -0.51 0.04 0.00 -1.57 0.00 0.00 52.86 50.92 1ul7 s ASN 75 Cb 0.00 -1.29 -0.03 0.00 -0.02 0.00 0.00 41.25 39.91 1ul7 s ASN 75 CO 0.07 0.11 -0.11 -0.83 -2.57 0.00 0.00 177.10 173.77 1ul7 s GLY 76 N 0.53 0.86 -0.14 0.66 0.00 -0.57 -2.02 107.32 106.63 1ul7 s GLY 76 Ca -0.15 -1.12 -0.22 0.00 0.00 0.00 0.00 44.72 43.23 1ul7 s GLY 76 CO 0.05 -1.18 0.65 0.14 0.00 0.00 0.00 173.10 172.77 1ul7 s VAL 77 N -2.01 5.04 -0.31 1.40 1.01 -1.26 -3.49 120.40 120.78 1ul7 s VAL 77 Ca 0.03 1.29 -0.14 0.00 0.00 0.00 0.00 61.98 63.16 1ul7 s VAL 77 Cb -0.06 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1ul7 s VAL 77 CO 0.01 0.18 0.32 0.00 0.00 0.00 0.00 175.10 175.61 1ul7 s ARG 78 N 1.37 3.77 -0.51 2.72 3.03 -0.96 -4.81 118.95 123.56 1ul7 s ARG 78 Ca 0.32 -0.28 -0.23 0.00 2.03 0.00 0.00 55.73 57.57 1ul7 s ARG 78 Cb -0.16 -3.73 0.04 0.00 -1.03 0.00 0.00 34.95 30.06 1ul7 s ARG 78 CO 0.13 -0.37 0.84 -0.06 -1.13 0.00 0.00 175.30 174.71 1ul7 s PHE 79 N 1.95 2.91 -0.23 5.89 0.40 -1.26 -3.41 117.98 124.23 1ul7 s PHE 79 Ca 0.11 -0.02 -0.18 0.00 -0.60 0.00 0.00 56.93 56.24 1ul7 s PHE 79 Cb -0.16 -3.84 -0.03 0.00 0.51 0.00 0.00 43.02 39.49 1ul7 s PHE 79 CO 0.11 -1.17 0.49 0.21 0.70 0.00 0.00 175.22 175.56 1ul7 s LYS 80 N 3.51 4.13 -0.60 0.44 2.20 -0.79 -4.93 119.74 123.69 1ul7 s LYS 80 Ca 0.28 0.32 -0.27 0.00 -0.36 0.00 0.00 55.97 55.94 1ul7 s LYS 80 Cb -0.13 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1ul7 s LYS 80 CO 0.20 -0.22 1.50 0.50 -0.36 0.00 0.00 175.35 176.97 1ul7 s ARG 81 N 1.88 3.12 -0.14 4.03 3.52 -1.26 -2.61 118.95 127.50 1ul7 s ARG 81 Ca 0.22 0.38 -0.11 0.00 -0.13 0.00 0.00 55.73 56.09 1ul7 s ARG 81 Cb -0.15 -4.20 -0.08 0.00 -1.56 0.00 0.00 34.95 28.96 1ul7 s ARG 81 CO 0.09 -2.16 0.07 0.82 -0.81 0.00 0.00 175.30 173.31 1ul7 h ILE 82 N 6.44 0.38 -4.35 4.11 1.08 -1.92 -3.50 117.51 119.75 1ul7 h ILE 82 Ca -0.27 -1.36 -0.40 0.00 -0.39 0.00 0.00 64.86 62.43 1ul7 h ILE 82 Cb 1.10 0.80 -0.09 0.00 -3.07 0.00 0.00 36.82 35.56 1ul7 h ILE 82 CO 1.20 0.13 -0.35 -1.20 -0.69 0.00 0.00 178.15 177.24 1ul7 n SER 83 N -4.65 0.75 -0.30 1.72 7.64 -1.05 -5.07 113.62 112.67 1ul7 n SER 83 Ca -0.09 -2.63 0.04 0.00 1.01 0.00 0.00 58.87 57.20 1ul7 n SER 83 Cb 0.26 0.89 -0.01 0.00 -1.01 0.00 0.00 64.21 64.34 1ul7 n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ul7 n GLY 84 N -0.14 -2.17 3.92 0.23 0.00 -1.26 -4.45 105.19 101.33 1ul7 n GLY 84 Ca -0.02 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.37 4.77 0.12 2.61 -1.32 -1.26 -4.90 115.64 113.27 1ul7 s THR 85 Ca 0.00 -0.12 -0.33 0.00 -1.21 0.00 0.00 61.69 60.03 1ul7 s THR 85 Cb 0.00 -3.79 -0.12 0.00 -1.51 0.00 0.00 72.50 67.09 1ul7 s THR 85 CO 0.00 -0.66 1.56 0.77 -2.21 0.00 0.00 174.62 174.08 1ul7 h SER 86 N 0.39 -1.62 -0.86 8.08 4.64 -1.99 0.51 113.55 122.71 1ul7 h SER 86 Ca -0.48 0.19 0.08 0.00 -0.47 0.00 0.00 61.79 61.11 1ul7 h SER 86 Cb 1.22 0.63 -0.11 0.00 -0.31 0.00 0.00 62.40 63.83 1ul7 h SER 86 CO 0.61 -0.49 -0.57 0.40 -0.87 0.00 0.00 176.83 175.91 1ul7 h ILE 87 N -0.61 0.00 -0.54 0.95 2.04 -1.99 0.21 117.51 117.57 1ul7 h ILE 87 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 1ul7 h ILE 87 Cb 0.69 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 1ul7 h ILE 87 CO -0.39 0.00 0.22 0.00 0.00 0.00 0.00 178.15 177.97 1ul7 h ALA 88 N 0.36 0.68 0.25 1.87 0.00 -1.86 -0.47 119.26 120.08 1ul7 h ALA 88 Ca 0.14 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ul7 h ALA 88 Cb 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ul7 h ALA 88 CO -0.85 -0.17 -0.31 0.35 0.00 0.00 0.00 179.25 178.26 1ul7 h PHE 89 N 0.41 -0.88 -0.98 0.00 3.57 0.16 -2.25 116.94 116.97 1ul7 h PHE 89 Ca 0.26 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.95 1ul7 h PHE 89 Cb 0.26 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 1ul7 h PHE 89 CO -0.15 -0.40 0.61 -0.22 -2.23 0.00 0.00 178.31 175.92 1ul7 h LYS 90 N -0.58 0.68 -0.06 1.11 3.64 -0.65 0.11 116.57 120.83 1ul7 h LYS 90 Ca -0.03 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1ul7 h LYS 90 Cb 0.52 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1ul7 h LYS 90 CO -0.08 0.45 -0.35 -0.97 -2.27 0.00 0.00 179.45 176.24 1ul7 h ASN 91 N 0.70 -1.09 -0.10 4.20 -0.73 -0.50 -1.77 115.58 116.29 1ul7 h ASN 91 Ca 0.54 0.13 -0.11 0.00 1.87 0.00 0.00 56.30 58.73 1ul7 h ASN 91 Cb 0.92 0.42 -0.01 0.00 0.27 0.00 0.00 38.32 39.92 1ul7 h ASN 91 CO -0.31 -0.32 -0.28 -0.29 -0.37 0.00 0.00 177.43 175.86 1ul7 h ILE 92 N -0.39 1.28 -1.06 2.57 6.09 -1.07 -2.91 117.51 122.01 1ul7 h ILE 92 Ca 0.02 -1.36 0.28 0.00 -1.37 0.00 0.00 64.86 62.43 1ul7 h ILE 92 Cb 0.44 1.37 -0.08 0.00 0.47 0.00 0.00 36.82 39.02 1ul7 h ILE 92 CO -0.26 0.44 0.71 0.00 -3.07 0.00 0.00 178.15 175.96 1ul7 h ALA 93 N 1.21 2.49 0.00 0.18 0.00 -0.21 0.87 119.26 123.80 1ul7 h ALA 93 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1ul7 h ALA 93 Cb 0.74 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ul7 h ALA 93 CO 0.06 -0.87 -0.42 1.03 0.00 0.00 0.00 179.25 179.06 1ul7 h SER 94 N 0.27 0.00 0.16 0.00 0.87 -1.13 -1.88 113.55 111.84 1ul7 h SER 94 Ca 0.57 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.95 1ul7 h SER 94 Cb 1.70 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1ul7 h SER 94 CO -0.20 0.42 -0.69 0.50 -0.53 0.00 0.00 176.83 176.33 1ul7 h LYS 95 N 0.00 0.48 0.03 2.24 1.63 0.67 -2.63 116.57 118.98 1ul7 h LYS 95 Ca -0.00 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1ul7 h LYS 95 Cb 1.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1ul7 h LYS 95 CO 0.05 0.99 -0.01 0.82 -3.45 0.00 0.00 179.45 177.85 1ul7 h ILE 96 N 0.34 0.40 -0.80 2.00 1.08 -1.34 -2.75 117.51 116.43 1ul7 h ILE 96 Ca -0.02 -1.26 0.19 0.00 -0.39 0.00 0.00 64.86 63.37 1ul7 h ILE 96 Cb 1.26 0.74 -0.12 0.00 -3.07 0.00 0.00 36.82 35.63 1ul7 h ILE 96 CO 0.12 0.13 0.22 0.00 -0.69 0.00 0.00 178.15 177.94 1ul7 h ALA 97 N -0.78 1.10 0.04 1.87 0.00 -1.47 0.24 119.26 120.26 1ul7 h ALA 97 Ca -0.00 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ul7 h ALA 97 Cb 0.24 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ul7 h ALA 97 CO 0.01 -0.37 -0.02 -0.97 0.00 0.00 0.00 179.25 177.90 1ul7 h ASN 98 N 0.28 -0.05 -0.83 0.00 -0.73 -1.60 -3.29 115.58 109.35 1ul7 h ASN 98 Ca 0.47 0.00 0.15 0.00 1.87 0.00 0.00 56.30 58.79 1ul7 h ASN 98 Cb 0.86 0.01 -0.15 0.00 0.27 0.00 0.00 38.32 39.31 1ul7 h ASN 98 CO -0.55 -0.03 -0.30 -0.33 -0.37 0.00 0.00 177.43 175.85 1ul7 h GLU 99 N -0.08 -0.04 -4.99 6.67 4.39 -1.27 -3.38 114.58 115.88 1ul7 h GLU 99 Ca -0.01 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 1ul7 h GLU 99 Cb 0.05 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.60 1ul7 h GLU 99 CO 0.01 -0.03 1.88 1.28 -1.16 0.00 0.00 179.01 180.99 1ul7 n LEU 100 N -5.50 -0.51 -4.20 1.33 4.77 0.81 -4.75 117.00 108.96 1ul7 n LEU 100 Ca 0.10 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.51 1ul7 n LEU 100 Cb 0.40 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1ul7 n LEU 100 CO -0.07 -1.04 2.26 1.17 -1.33 0.00 0.00 177.39 178.38 1ul7 n LYS 101 N 7.12 2.94 0.00 3.23 3.00 -1.26 -4.96 118.16 128.22 1ul7 n LYS 101 Ca 0.67 -2.92 0.01 0.00 -0.00 0.00 0.00 58.31 56.06 1ul7 n LYS 101 Cb 0.08 -3.40 0.01 0.00 0.00 0.00 0.00 35.03 31.71 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68