#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 -0.33 -0.23 1.61 0.15 -1.26 -5.14 113.70 108.51 1ul7 s SER 2 Ca 0.00 0.17 -0.17 0.00 0.70 0.00 0.00 55.95 56.65 1ul7 s SER 2 Cb 0.00 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1ul7 s SER 2 CO 0.00 -0.58 0.44 -0.44 1.20 0.00 0.00 173.24 173.86 1ul7 s SER 3 N -1.63 6.43 0.00 5.45 0.01 -1.26 -5.03 113.70 117.67 1ul7 s SER 3 Ca -0.09 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1ul7 s SER 3 Cb -0.02 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1ul7 s SER 3 CO 0.02 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1ul7 n GLY 4 N 4.15 1.56 3.87 3.44 0.00 -1.26 -4.91 105.19 112.03 1ul7 n GLY 4 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 1ul7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ul7 n SER 5 N 0.00 -4.12 -4.19 1.61 2.88 -1.26 -4.96 113.62 103.57 1ul7 n SER 5 Ca 0.00 -0.78 -0.34 0.00 -1.33 0.00 0.00 58.87 56.42 1ul7 n SER 5 Cb 0.00 -3.95 -0.15 0.00 -0.75 0.00 0.00 64.21 59.36 1ul7 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ul7 s SER 6 N -3.52 3.54 -0.30 -3.46 1.04 -1.26 -5.06 113.70 104.68 1ul7 s SER 6 Ca 0.53 -0.56 -0.12 0.00 0.48 0.00 0.00 55.95 56.28 1ul7 s SER 6 Cb -0.26 -1.57 0.18 0.00 0.10 0.00 0.00 66.02 64.47 1ul7 s SER 6 CO 0.82 -0.00 1.05 -0.83 0.98 0.00 0.00 173.24 175.26 1ul7 s GLY 7 N 1.32 -0.48 0.21 7.32 0.00 -1.26 -5.17 107.32 109.26 1ul7 s GLY 7 Ca 0.05 2.61 0.09 0.00 0.00 0.00 0.00 44.72 47.46 1ul7 s GLY 7 CO -0.09 3.88 -0.17 0.50 0.00 0.00 0.00 173.10 177.22 1ul7 s ARG 8 N 2.95 1.39 0.08 2.90 1.81 -1.26 -5.10 118.95 121.73 1ul7 s ARG 8 Ca 0.05 -1.57 -0.31 0.00 -1.72 0.00 0.00 55.73 52.18 1ul7 s ARG 8 Cb -0.08 -1.34 -0.09 0.00 -0.45 0.00 0.00 34.95 32.99 1ul7 s ARG 8 CO -0.14 0.25 1.68 -0.59 -0.68 0.00 0.00 175.30 175.82 1ul7 s PHE 9 N -2.57 2.39 -0.29 -0.53 -0.12 -1.26 -4.96 117.98 110.64 1ul7 s PHE 9 Ca 0.22 0.27 -0.19 0.00 -0.05 0.00 0.00 56.93 57.18 1ul7 s PHE 9 Cb -0.03 -4.00 0.17 0.00 -0.63 0.00 0.00 43.02 38.53 1ul7 s PHE 9 CO 0.09 -4.04 1.16 -0.08 -0.05 0.00 0.00 175.22 172.30 1ul7 s THR 10 N 2.60 0.00 -0.01 -4.49 -1.32 -1.26 -5.14 115.64 106.02 1ul7 s THR 10 Ca 0.75 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.93 1ul7 s THR 10 Cb -0.41 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.54 1ul7 s THR 10 CO 0.33 0.00 1.13 0.26 -2.21 0.00 0.00 174.62 174.13 1ul7 s TRP 11 N 0.87 3.41 -0.09 9.09 0.51 -1.26 -5.03 118.94 126.44 1ul7 s TRP 11 Ca -0.04 1.39 -0.05 0.00 -2.12 0.00 0.00 56.10 55.28 1ul7 s TRP 11 Cb -0.04 -3.33 0.04 0.00 -0.81 0.00 0.00 33.47 29.34 1ul7 s TRP 11 CO -0.12 -0.90 0.22 -1.54 -0.51 0.00 0.00 176.95 174.10 1ul7 s SER 12 N 1.20 -0.22 0.13 2.95 1.04 -1.26 -5.08 113.70 112.46 1ul7 s SER 12 Ca 0.55 0.45 -0.24 0.00 0.48 0.00 0.00 55.95 57.19 1ul7 s SER 12 Cb -0.25 0.35 0.08 0.00 0.10 0.00 0.00 66.02 66.31 1ul7 s SER 12 CO 0.25 -0.15 1.09 0.00 0.98 0.00 0.00 173.24 175.41 1ul7 s MET 13 N 1.09 1.08 -0.05 4.02 0.23 -1.26 -4.94 119.30 119.47 1ul7 s MET 13 Ca -0.08 -0.67 0.07 0.00 -1.03 0.00 0.00 55.69 53.98 1ul7 s MET 13 Cb -0.10 0.31 0.11 0.00 -1.53 0.00 0.00 34.83 33.63 1ul7 s MET 13 CO -0.07 -0.50 1.00 0.36 -2.03 0.00 0.00 175.02 173.79 1ul7 n LYS 14 N -0.68 0.80 -2.85 3.16 -0.00 -1.26 -5.05 118.16 112.28 1ul7 n LYS 14 Ca -0.03 -1.61 -0.42 0.00 -0.00 0.00 0.00 58.31 56.26 1ul7 n LYS 14 Cb 0.60 -0.94 -0.04 0.00 -0.00 0.00 0.00 35.03 34.65 1ul7 n LYS 14 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ul7 s THR 15 N -1.22 4.84 -0.07 0.58 2.01 -1.26 -5.04 115.64 115.49 1ul7 s THR 15 Ca 0.12 1.69 0.02 0.00 0.31 0.00 0.00 61.69 63.83 1ul7 s THR 15 Cb 0.11 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.47 1ul7 s THR 15 CO 0.01 -0.03 -0.10 0.42 -0.69 0.00 0.00 174.62 174.23 1ul7 s THR 16 N 2.45 1.00 -0.16 -0.82 -4.23 -1.26 -4.45 115.64 108.17 1ul7 s THR 16 Ca 0.39 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1ul7 s THR 16 Cb -0.16 -0.95 0.01 0.00 1.34 0.00 0.00 72.50 72.74 1ul7 s THR 16 CO 0.11 0.33 -0.19 -0.94 -0.54 0.00 0.00 174.62 173.39 1ul7 s SER 17 N 0.83 3.31 0.41 3.99 1.04 -1.19 -4.99 113.70 117.10 1ul7 s SER 17 Ca -0.12 -0.58 0.22 0.00 0.48 0.00 0.00 55.95 55.95 1ul7 s SER 17 Cb -0.15 -1.50 0.41 0.00 0.10 0.00 0.00 66.02 64.88 1ul7 s SER 17 CO 0.02 0.05 1.62 -1.28 0.98 0.00 0.00 173.24 174.62 1ul7 h SER 18 N 7.59 0.00 -4.09 7.02 0.87 -1.89 -3.30 113.55 119.74 1ul7 h SER 18 Ca -0.38 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.70 1ul7 h SER 18 Cb 1.17 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.18 1ul7 h SER 18 CO 0.59 0.16 0.41 -0.32 -0.53 0.00 0.00 176.83 177.13 1ul7 s MET 19 N -3.22 3.54 0.58 2.24 -2.45 -1.26 -4.97 119.30 113.75 1ul7 s MET 19 Ca 0.05 1.47 -0.18 0.00 -1.25 0.00 0.00 55.69 55.78 1ul7 s MET 19 Cb 0.06 -2.05 -0.07 0.00 1.25 0.00 0.00 34.83 34.03 1ul7 s MET 19 CO 0.68 -0.67 0.70 -0.25 1.05 0.00 0.00 175.02 176.52 1ul7 n ASP 20 N -1.23 -0.33 0.27 1.11 9.92 -1.26 -4.84 116.55 120.19 1ul7 n ASP 20 Ca 0.10 0.77 0.16 0.00 -0.53 0.00 0.00 54.79 55.29 1ul7 n ASP 20 Cb 0.52 -1.26 0.66 0.00 -0.64 0.00 0.00 41.12 40.40 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 0.34 0.00 0.00 -0.24 0.13 -1.93 -2.77 132.00 127.53 1ul7 h PRO 21 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1ul7 h PRO 21 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1ul7 h PRO 21 CO 0.49 0.06 -0.30 1.03 -0.23 0.00 0.00 178.00 179.04 1ul7 h SER 22 N 0.00 0.00 1.23 1.44 0.87 -1.99 -2.67 113.55 112.42 1ul7 h SER 22 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1ul7 h SER 22 Cb 0.53 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1ul7 h SER 22 CO 0.01 0.30 -0.79 0.44 -0.53 0.00 0.00 176.83 176.26 1ul7 h ASP 23 N 0.00 0.00 0.67 6.23 5.19 -1.85 -3.38 116.42 123.28 1ul7 h ASP 23 Ca -0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1ul7 h ASP 23 Cb 0.72 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.23 1ul7 h ASP 23 CO 0.04 0.15 -0.32 0.24 -3.12 0.00 0.00 179.24 176.23 1ul7 h MET 24 N 0.00 -0.87 -1.48 3.56 2.86 -1.46 -2.79 114.93 114.75 1ul7 h MET 24 Ca -0.03 0.06 0.49 0.00 -2.06 0.00 0.00 59.70 58.16 1ul7 h MET 24 Cb 1.14 0.20 -0.13 0.00 0.06 0.00 0.00 31.60 32.87 1ul7 h MET 24 CO 0.01 -0.57 0.97 0.52 1.06 0.00 0.00 176.91 178.91 1ul7 h MET 25 N -1.22 0.01 0.35 1.72 2.86 -1.72 0.24 114.93 117.17 1ul7 h MET 25 Ca -0.09 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1ul7 h MET 25 Cb 0.70 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1ul7 h MET 25 CO 0.15 0.01 -0.17 -0.09 1.06 0.00 0.00 176.91 177.87 1ul7 h ARG 26 N 0.02 -0.45 -0.63 1.72 2.43 -1.71 -3.10 114.38 112.65 1ul7 h ARG 26 Ca 0.88 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 60.20 1ul7 h ARG 26 Cb 2.96 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 32.53 1ul7 h ARG 26 CO -0.38 -0.30 0.20 1.49 -1.51 0.00 0.00 179.97 179.46 1ul7 h GLU 27 N -0.75 0.34 -0.57 0.20 4.57 -0.71 -2.47 114.58 115.18 1ul7 h GLU 27 Ca -0.05 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1ul7 h GLU 27 Cb 0.36 -0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.78 1ul7 h GLU 27 CO 0.08 0.22 -0.56 0.82 -1.18 0.00 0.00 179.01 178.39 1ul7 h ILE 28 N 0.35 0.00 -0.56 2.32 2.04 -0.72 0.53 117.51 121.47 1ul7 h ILE 28 Ca 0.33 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.33 1ul7 h ILE 28 Cb 0.47 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 1ul7 h ILE 28 CO -0.37 0.00 0.39 0.03 0.00 0.00 0.00 178.15 178.20 1ul7 h ARG 29 N -0.29 0.13 -0.17 2.37 3.08 -1.37 -1.12 114.38 117.01 1ul7 h ARG 29 Ca 0.10 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1ul7 h ARG 29 Cb 0.55 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1ul7 h ARG 29 CO -0.69 0.09 0.01 -0.22 -1.07 0.00 0.00 179.97 178.08 1ul7 h LYS 30 N 0.13 0.28 -0.27 0.04 3.64 0.29 -0.85 116.57 119.84 1ul7 h LYS 30 Ca 0.27 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1ul7 h LYS 30 Cb 0.88 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1ul7 h LYS 30 CO -0.03 0.48 0.08 0.28 -2.27 0.00 0.00 179.45 177.99 1ul7 h VAL 31 N 0.05 1.20 0.75 2.00 2.07 0.07 -2.42 116.25 119.96 1ul7 h VAL 31 Ca 0.05 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1ul7 h VAL 31 Cb 0.35 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1ul7 h VAL 31 CO 0.01 0.21 -0.39 -0.07 0.02 0.00 0.00 177.57 177.35 1ul7 h LEU 32 N 0.27 -0.95 -1.98 2.57 3.38 -1.28 -1.39 115.31 115.94 1ul7 h LEU 32 Ca 0.09 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1ul7 h LEU 32 Cb 0.24 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ul7 h LEU 32 CO -0.00 -0.64 0.42 1.23 0.09 0.00 0.00 178.44 179.54 1ul7 h GLY 33 N -1.05 0.00 1.32 0.83 0.00 -1.17 0.54 103.07 103.53 1ul7 h GLY 33 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.92 1ul7 h GLY 33 CO 0.15 0.00 -1.36 0.00 0.00 0.00 0.00 176.54 175.33 1ul7 h ALA 34 N 1.47 -0.06 -0.27 3.60 0.00 -0.88 -3.31 119.26 119.81 1ul7 h ALA 34 Ca 0.16 -0.83 -0.26 0.00 0.00 0.00 0.00 54.91 53.98 1ul7 h ALA 34 Cb 1.01 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1ul7 h ALA 34 CO -0.00 0.73 0.13 0.09 0.00 0.00 0.00 179.25 180.20 1ul7 n ASN 35 N -3.72 5.93 -3.86 0.00 3.02 0.13 -4.79 115.26 111.98 1ul7 n ASN 35 Ca -0.14 -2.81 -0.26 0.00 -0.03 0.00 0.00 54.58 51.33 1ul7 n ASN 35 Cb 1.05 -1.20 -0.07 0.00 -0.61 0.00 0.00 39.78 38.95 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 1.23 0.13 -4.81 6.41 4.13 -1.23 -4.89 115.26 116.23 1ul7 n ASN 36 Ca 0.31 -0.96 -0.22 0.00 1.68 0.00 0.00 54.58 55.38 1ul7 n ASN 36 Cb 0.63 -1.20 -0.05 0.00 -1.54 0.00 0.00 39.78 37.62 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ul7 s ASP 38 N -4.01 2.81 0.05 0.00 1.01 0.32 -4.46 116.67 112.39 1ul7 s ASP 38 Ca 0.44 -0.53 0.06 0.00 0.71 0.00 0.00 52.55 53.23 1ul7 s ASP 38 Cb -0.01 -1.28 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 1ul7 s ASP 38 CO 0.25 0.00 -0.12 -0.72 0.21 0.00 0.00 175.17 174.79 1ul7 s TYR 39 N 1.19 2.71 -0.04 4.23 1.13 -1.25 0.06 117.35 125.38 1ul7 s TYR 39 Ca -0.00 -0.16 0.01 0.00 -1.41 0.00 0.00 57.07 55.51 1ul7 s TYR 39 Cb -0.14 -1.49 0.02 0.00 -1.10 0.00 0.00 41.96 39.25 1ul7 s TYR 39 CO -0.07 0.35 -0.06 -1.21 -2.51 0.00 0.00 175.55 172.05 1ul7 s GLU 40 N -1.69 0.86 -0.71 -3.49 2.02 -0.82 -4.89 118.70 109.98 1ul7 s GLU 40 Ca 0.18 -0.16 -0.26 0.00 0.02 0.00 0.00 54.97 54.74 1ul7 s GLU 40 Cb -0.11 -0.83 -0.01 0.00 0.10 0.00 0.00 34.13 33.28 1ul7 s GLU 40 CO 0.09 -0.02 1.72 -1.14 0.02 0.00 0.00 175.26 175.93 1ul7 s GLN 41 N 0.67 2.79 -0.03 1.61 2.00 -1.26 -0.63 119.66 124.82 1ul7 s GLN 41 Ca -0.09 0.19 -0.02 0.00 -2.00 0.00 0.00 55.36 53.44 1ul7 s GLN 41 Cb -0.13 -4.50 -0.01 0.00 0.80 0.00 0.00 33.01 29.18 1ul7 s GLN 41 CO 0.00 -2.67 -0.03 0.00 -0.50 0.00 0.00 175.29 172.09 1ul7 h ARG 42 N 13.03 0.00 0.00 1.67 2.47 -1.90 -3.49 114.38 126.17 1ul7 h ARG 42 Ca -0.18 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.24 1ul7 h ARG 42 Cb 1.11 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1ul7 h ARG 42 CO 1.24 0.00 -0.09 0.39 0.56 0.00 0.00 179.97 182.07 1ul7 n GLU 43 N -2.68 0.90 -0.06 0.04 1.02 -1.21 -4.97 120.64 113.67 1ul7 n GLU 43 Ca -0.01 -1.82 -0.01 0.00 -0.02 0.00 0.00 57.16 55.30 1ul7 n GLU 43 Cb 0.05 0.02 0.25 0.00 -0.02 0.00 0.00 31.44 31.74 1ul7 n GLU 43 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1ul7 h ARG 44 N 0.00 0.66 -0.37 3.49 2.43 -2.02 -3.21 114.38 115.36 1ul7 h ARG 44 Ca -0.17 -0.13 -0.28 0.00 -0.81 0.00 0.00 59.98 58.59 1ul7 h ARG 44 Cb 0.70 -0.10 -0.35 0.00 -0.42 0.00 0.00 29.97 29.80 1ul7 h ARG 44 CO 0.26 0.63 -0.94 1.19 -1.51 0.00 0.00 179.97 179.59 1ul7 n PHE 45 N -4.29 1.22 -4.10 2.20 3.72 -1.26 -5.07 117.46 109.88 1ul7 n PHE 45 Ca 0.03 -1.74 -0.15 0.00 -0.05 0.00 0.00 57.45 55.54 1ul7 n PHE 45 Cb 0.23 -0.24 -0.12 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.89 2.27 -0.06 4.37 0.20 -1.21 -2.47 118.68 118.89 1ul7 s LEU 46 Ca 0.36 -0.58 -0.04 0.00 0.69 0.00 0.00 54.13 54.57 1ul7 s LEU 46 Cb 0.36 -0.28 0.03 0.00 -0.43 0.00 0.00 46.19 45.87 1ul7 s LEU 46 CO -0.05 -0.17 0.13 -0.76 -0.29 0.00 0.00 176.35 175.22 1ul7 s LEU 47 N -1.66 1.12 -0.52 -0.68 1.43 -1.19 -2.88 118.68 114.30 1ul7 s LEU 47 Ca -0.07 0.27 -0.25 0.00 -1.03 0.00 0.00 54.13 53.06 1ul7 s LEU 47 Cb -0.10 0.39 0.04 0.00 0.03 0.00 0.00 46.19 46.55 1ul7 s LEU 47 CO 0.01 -0.10 0.94 0.12 0.23 0.00 0.00 176.35 177.56 1ul7 s PHE 48 N 0.63 2.83 -0.03 0.29 5.36 0.20 -2.12 117.98 125.13 1ul7 s PHE 48 Ca -0.05 0.13 -0.25 0.00 -0.96 0.00 0.00 56.93 55.81 1ul7 s PHE 48 Cb -0.06 -4.05 -0.04 0.00 -0.34 0.00 0.00 43.02 38.53 1ul7 s PHE 48 CO -0.03 -1.28 0.75 0.00 -1.46 0.00 0.00 175.22 173.21 1ul7 s VAL 50 N 0.62 0.38 -0.01 0.00 1.01 0.11 -1.60 120.40 120.90 1ul7 s VAL 50 Ca 0.40 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1ul7 s VAL 50 Cb -0.19 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 1ul7 s VAL 50 CO 0.21 0.16 -0.09 -2.28 0.00 0.00 0.00 175.10 173.10 1ul7 s HIS 51 N 1.96 0.82 -0.65 5.22 2.46 -0.41 -0.52 115.29 124.17 1ul7 s HIS 51 Ca 0.04 -0.17 0.02 0.00 0.47 0.00 0.00 55.06 55.42 1ul7 s HIS 51 Cb -0.13 -0.56 0.37 0.00 -0.13 0.00 0.00 32.58 32.13 1ul7 s HIS 51 CO -0.06 -0.04 1.41 0.41 -2.47 0.00 0.00 174.74 173.99 1ul7 n GLY 52 N 3.03 5.82 0.39 1.59 0.00 -1.26 -1.27 105.19 113.49 1ul7 n GLY 52 Ca -0.15 -2.67 -0.12 0.00 0.00 0.00 0.00 46.02 43.08 1ul7 n GLY 52 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1ul7 h ASP 53 N 2.99 -1.27 0.00 1.61 3.58 -1.95 -3.42 116.42 117.96 1ul7 h ASP 53 Ca 0.37 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.99 1ul7 h ASP 53 Cb 0.52 0.52 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1ul7 h ASP 53 CO 1.04 -0.41 0.00 0.61 -2.88 0.00 0.00 179.24 177.60 1ul7 n GLY 54 N -1.43 0.92 3.89 -0.78 0.00 -1.26 -5.04 105.19 101.48 1ul7 n GLY 54 Ca -0.04 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 0.45 3.59 0.27 1.61 3.76 -1.26 -4.95 115.29 118.76 1ul7 s HIS 55 Ca 0.00 1.06 -0.02 0.00 -0.15 0.00 0.00 55.06 55.95 1ul7 s HIS 55 Cb 0.00 -2.51 0.43 0.00 1.11 0.00 0.00 32.58 31.60 1ul7 s HIS 55 CO 0.00 -0.47 1.87 0.00 -0.85 0.00 0.00 174.74 175.29 1ul7 h ALA 56 N -0.00 1.41 0.00 -1.40 0.00 -1.96 0.54 119.26 117.84 1ul7 h ALA 56 Ca -0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ul7 h ALA 56 Cb 1.20 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ul7 h ALA 56 CO 0.62 0.41 -0.01 1.49 0.00 0.00 0.00 179.25 181.75 1ul7 h GLU 57 N 1.15 0.00 -1.07 0.00 4.57 -2.01 -2.98 114.58 114.24 1ul7 h GLU 57 Ca 0.44 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 58.00 1ul7 h GLU 57 Cb 0.22 0.00 -0.37 0.00 -0.16 0.00 0.00 28.75 28.44 1ul7 h GLU 57 CO -0.19 0.01 -0.07 0.09 -1.18 0.00 0.00 179.01 177.68 1ul7 n ASN 58 N -3.11 6.06 -4.77 1.04 5.03 0.16 -5.02 115.26 114.65 1ul7 n ASN 58 Ca 0.00 -3.77 -0.35 0.00 0.87 0.00 0.00 54.58 51.34 1ul7 n ASN 58 Cb 0.30 -0.64 0.02 0.00 -1.02 0.00 0.00 39.78 38.45 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 -3.71 3.62 -0.12 3.41 2.96 -1.07 -4.46 118.68 119.30 1ul7 s LEU 59 Ca 0.55 2.16 -0.00 0.00 -0.22 0.00 0.00 54.13 56.62 1ul7 s LEU 59 Cb 0.44 -4.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.54 1ul7 s LEU 59 CO -0.06 -1.42 -0.12 -0.69 -1.32 0.00 0.00 176.35 172.74 1ul7 s VAL 60 N -1.93 3.13 -0.08 1.68 1.01 -0.39 -4.03 120.40 119.80 1ul7 s VAL 60 Ca 0.72 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1ul7 s VAL 60 Cb -0.24 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.86 1ul7 s VAL 60 CO 0.33 0.53 -0.01 -1.10 0.00 0.00 0.00 175.10 174.85 1ul7 s GLN 61 N 0.25 0.72 0.05 2.72 -0.21 -1.26 -1.29 119.66 120.65 1ul7 s GLN 61 Ca -0.08 0.05 0.03 0.00 0.02 0.00 0.00 55.36 55.38 1ul7 s GLN 61 Cb -0.15 -1.07 -0.03 0.00 1.00 0.00 0.00 33.01 32.76 1ul7 s GLN 61 CO 0.05 -0.31 -0.09 1.67 -2.12 0.00 0.00 175.29 174.50 1ul7 s TRP 62 N 1.94 0.76 0.19 0.91 -2.14 -0.63 -0.01 118.94 119.96 1ul7 s TRP 62 Ca 0.05 -0.52 -0.05 0.00 2.66 0.00 0.00 56.10 58.24 1ul7 s TRP 62 Cb -0.12 -0.45 -0.05 0.00 -3.10 0.00 0.00 33.47 29.74 1ul7 s TRP 62 CO -0.06 -0.07 0.43 -1.21 -2.66 0.00 0.00 176.95 173.39 1ul7 s GLU 63 N -1.77 3.63 -0.40 3.25 2.02 -0.49 -0.77 118.70 124.16 1ul7 s GLU 63 Ca -0.07 -0.07 0.01 0.00 0.02 0.00 0.00 54.97 54.86 1ul7 s GLU 63 Cb -0.09 -2.79 0.13 0.00 0.10 0.00 0.00 34.13 31.49 1ul7 s GLU 63 CO 0.00 0.39 0.22 -1.64 0.02 0.00 0.00 175.26 174.25 1ul7 s MET 64 N -2.96 0.99 -0.03 1.61 -1.94 -0.90 -2.61 119.30 113.45 1ul7 s MET 64 Ca 0.42 -1.70 -0.03 0.00 -1.71 0.00 0.00 55.69 52.67 1ul7 s MET 64 Cb -0.12 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.74 1ul7 s MET 64 CO 0.26 -1.17 0.12 -2.00 -0.01 0.00 0.00 175.02 172.23 1ul7 s GLU 65 N 0.69 3.26 -0.43 2.03 2.56 -1.11 -3.17 118.70 122.53 1ul7 s GLU 65 Ca 0.17 -0.36 -0.09 0.00 0.00 0.00 0.00 54.97 54.70 1ul7 s GLU 65 Cb -0.24 -3.00 0.09 0.00 2.00 0.00 0.00 34.13 32.98 1ul7 s GLU 65 CO -0.01 0.68 0.28 0.08 -0.56 0.00 0.00 175.26 175.73 1ul7 s VAL 66 N -1.19 4.19 0.31 3.70 1.01 -1.03 -1.88 120.40 125.51 1ul7 s VAL 66 Ca 0.22 -1.50 0.03 0.00 0.00 0.00 0.00 61.98 60.73 1ul7 s VAL 66 Cb -0.12 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1ul7 s VAL 66 CO 0.13 -0.57 0.07 0.00 0.00 0.00 0.00 175.10 174.73 1ul7 s LYS 68 N -3.93 4.18 0.31 0.00 -2.85 -1.26 -1.10 119.74 115.09 1ul7 s LYS 68 Ca 0.37 0.72 -0.27 0.00 -1.00 0.00 0.00 55.97 55.79 1ul7 s LYS 68 Cb 0.09 -3.16 -0.09 0.00 -2.06 0.00 0.00 37.83 32.60 1ul7 s LYS 68 CO 0.15 0.59 0.99 -0.51 0.10 0.00 0.00 175.35 176.68 1ul7 s LEU 69 N -1.32 4.40 -0.02 2.77 1.43 -0.73 -4.90 118.68 120.31 1ul7 s LEU 69 Ca 0.32 1.98 -0.25 0.00 -1.03 0.00 0.00 54.13 55.15 1ul7 s LEU 69 Cb -0.19 -3.89 -0.20 0.00 0.03 0.00 0.00 46.19 41.94 1ul7 s LEU 69 CO 0.19 -0.12 1.23 1.55 0.23 0.00 0.00 176.35 179.44 1ul7 h PRO 70 N 3.36 -0.05 -0.03 1.29 0.13 -1.97 -3.34 132.00 131.38 1ul7 h PRO 70 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1ul7 h PRO 70 Cb 1.20 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1ul7 h PRO 70 CO 0.65 0.41 -0.38 -0.09 -0.23 0.00 0.00 178.00 178.36 1ul7 h ARG 71 N -0.54 0.32 -6.93 0.86 1.12 -2.00 -3.46 114.38 103.75 1ul7 h ARG 71 Ca -0.01 -0.30 -0.46 0.00 -1.11 0.00 0.00 59.98 58.10 1ul7 h ARG 71 Cb 0.49 0.07 0.04 0.00 -0.01 0.00 0.00 29.97 30.57 1ul7 h ARG 71 CO 0.01 0.97 0.05 -0.51 -3.11 0.00 0.00 179.97 177.38 1ul7 s LEU 72 N -8.54 3.39 -0.62 3.80 1.02 -1.25 -5.03 118.68 111.45 1ul7 s LEU 72 Ca -0.14 0.47 0.02 0.00 0.02 0.00 0.00 54.13 54.50 1ul7 s LEU 72 Cb 0.03 -3.31 0.38 0.00 0.02 0.00 0.00 46.19 43.31 1ul7 s LEU 72 CO 0.78 -0.94 1.42 -1.54 0.02 0.00 0.00 176.35 176.09 1ul7 n SER 73 N -2.37 5.72 -3.75 2.29 3.41 -1.26 -4.20 113.62 113.46 1ul7 n SER 73 Ca 0.04 -3.75 -0.13 0.00 -0.26 0.00 0.00 58.87 54.76 1ul7 n SER 73 Cb 0.58 -0.70 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 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 -3.75 1.03 -0.29 1.04 1.43 -1.26 -5.02 118.68 111.86 1ul7 s LEU 74 Ca 0.49 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 1ul7 s LEU 74 Cb 0.39 1.02 -0.03 0.00 0.03 0.00 0.00 46.19 47.60 1ul7 s LEU 74 CO -0.25 -1.07 0.43 0.20 0.23 0.00 0.00 176.35 175.88 1ul7 s ASN 75 N -3.19 6.30 -0.05 2.29 -0.87 -1.25 -1.77 114.94 116.41 1ul7 s ASN 75 Ca 0.33 0.25 0.04 0.00 -1.57 0.00 0.00 52.86 51.91 1ul7 s ASN 75 Cb 0.02 -2.24 -0.02 0.00 -0.02 0.00 0.00 41.25 38.99 1ul7 s ASN 75 CO 0.16 -0.27 -0.15 -0.83 -2.57 0.00 0.00 177.10 173.44 1ul7 s GLY 76 N 1.64 1.50 -0.41 0.66 0.00 -0.26 -3.17 107.32 107.28 1ul7 s GLY 76 Ca 0.17 -0.99 -0.24 0.00 0.00 0.00 0.00 44.72 43.66 1ul7 s GLY 76 CO 0.10 -0.76 0.81 0.14 0.00 0.00 0.00 173.10 173.39 1ul7 s VAL 77 N -0.68 4.66 0.03 1.40 1.01 -1.26 -3.05 120.40 122.51 1ul7 s VAL 77 Ca 0.10 0.69 -0.21 0.00 0.00 0.00 0.00 61.98 62.57 1ul7 s VAL 77 Cb -0.11 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 1ul7 s VAL 77 CO 0.01 -0.61 0.61 0.00 0.00 0.00 0.00 175.10 175.10 1ul7 s ARG 78 N 3.28 4.30 -0.20 2.72 1.70 -0.79 -4.94 118.95 125.03 1ul7 s ARG 78 Ca 0.32 0.78 -0.02 0.00 -0.47 0.00 0.00 55.73 56.33 1ul7 s ARG 78 Cb -0.12 -3.30 -0.00 0.00 -0.57 0.00 0.00 34.95 30.95 1ul7 s ARG 78 CO 0.21 0.47 -0.09 -0.06 -1.08 0.00 0.00 175.30 174.74 1ul7 s PHE 79 N -0.54 2.90 -0.26 5.89 0.40 -1.26 -2.76 117.98 122.35 1ul7 s PHE 79 Ca 0.31 -1.06 -0.04 0.00 -0.60 0.00 0.00 56.93 55.54 1ul7 s PHE 79 Cb -0.19 -2.03 0.01 0.00 0.51 0.00 0.00 43.02 41.32 1ul7 s PHE 79 CO 0.19 -0.56 -0.00 0.21 0.70 0.00 0.00 175.22 175.75 1ul7 s LYS 80 N 1.28 3.05 -0.24 0.44 2.36 -1.07 -4.84 119.74 120.72 1ul7 s LYS 80 Ca 0.03 -0.86 -0.29 0.00 -2.55 0.00 0.00 55.97 52.31 1ul7 s LYS 80 Cb -0.14 -3.14 -0.03 0.00 -1.05 0.00 0.00 37.83 33.47 1ul7 s LYS 80 CO -0.04 -0.37 1.64 0.50 1.55 0.00 0.00 175.35 178.63 1ul7 s ARG 81 N 1.42 3.73 -0.09 4.03 3.52 -1.26 -1.40 118.95 128.90 1ul7 s ARG 81 Ca 0.02 1.63 -0.03 0.00 -0.13 0.00 0.00 55.73 57.22 1ul7 s ARG 81 Cb -0.16 -4.06 -0.01 0.00 -1.56 0.00 0.00 34.95 29.15 1ul7 s ARG 81 CO -0.02 -1.38 -0.07 0.82 -0.81 0.00 0.00 175.30 173.85 1ul7 h ILE 82 N 6.24 0.00 -1.42 4.11 1.08 -0.80 -3.49 117.51 123.23 1ul7 h ILE 82 Ca -0.34 -0.73 -0.63 0.00 -0.39 0.00 0.00 64.86 62.77 1ul7 h ILE 82 Cb 1.16 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.78 1ul7 h ILE 82 CO 1.01 0.00 -0.50 -0.44 -0.69 0.00 0.00 178.15 177.52 1ul7 s SER 83 N -5.01 3.52 0.20 1.72 0.01 -1.11 -5.00 113.70 108.03 1ul7 s SER 83 Ca -0.06 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.50 1ul7 s SER 83 Cb 0.01 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1ul7 s SER 83 CO 0.08 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1ul7 n GLY 84 N -1.12 -3.11 3.58 3.44 0.00 -1.26 -4.12 105.19 102.59 1ul7 n GLY 84 Ca -0.14 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 -4.15 1.63 0.06 2.61 -1.32 -1.26 -4.78 115.64 108.44 1ul7 s THR 85 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1ul7 s THR 85 Cb 0.00 -2.44 -0.17 0.00 -1.51 0.00 0.00 72.50 68.38 1ul7 s THR 85 CO 0.00 0.00 1.58 0.77 -2.21 0.00 0.00 174.62 174.76 1ul7 h SER 86 N -2.57 -0.24 -0.28 8.08 4.64 -1.99 -2.17 113.55 119.02 1ul7 h SER 86 Ca -0.47 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1ul7 h SER 86 Cb 1.30 0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 1ul7 h SER 86 CO 0.37 -0.08 -0.25 0.40 -0.87 0.00 0.00 176.83 176.41 1ul7 h ILE 87 N -0.39 0.00 -0.34 0.95 5.03 -1.98 0.26 117.51 121.04 1ul7 h ILE 87 Ca -0.03 0.00 0.07 0.00 -0.12 0.00 0.00 64.86 64.79 1ul7 h ILE 87 Cb 0.30 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.01 1ul7 h ILE 87 CO 0.05 0.00 -0.25 0.00 -0.68 0.00 0.00 178.15 177.26 1ul7 h ALA 88 N -0.59 -0.08 -0.00 1.87 0.00 -1.93 0.34 119.26 118.86 1ul7 h ALA 88 Ca 0.05 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ul7 h ALA 88 Cb 0.23 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ul7 h ALA 88 CO -0.32 -0.65 -0.30 0.35 0.00 0.00 0.00 179.25 178.33 1ul7 h PHE 89 N -0.22 -0.87 -0.43 0.00 3.57 -0.63 0.53 116.94 118.90 1ul7 h PHE 89 Ca 0.17 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.82 1ul7 h PHE 89 Cb 0.48 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1ul7 h PHE 89 CO -0.45 -0.32 0.45 0.87 -2.23 0.00 0.00 178.31 176.64 1ul7 h LYS 90 N -0.37 0.00 0.01 1.11 1.57 -0.24 -1.00 116.57 117.66 1ul7 h LYS 90 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ul7 h LYS 90 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1ul7 h LYS 90 CO -0.20 0.00 -0.01 -0.97 -0.57 0.00 0.00 179.45 177.70 1ul7 h ASN 91 N 0.00 -0.02 -0.05 0.86 -0.73 0.13 -1.63 115.58 114.14 1ul7 h ASN 91 Ca 0.20 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.31 1ul7 h ASN 91 Cb 1.11 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.69 1ul7 h ASN 91 CO -0.00 -0.01 -0.16 -0.29 -0.37 0.00 0.00 177.43 176.60 1ul7 h ILE 92 N -0.02 1.22 -0.86 2.57 6.09 -1.30 -2.70 117.51 122.52 1ul7 h ILE 92 Ca -0.00 -1.00 0.15 0.00 -1.37 0.00 0.00 64.86 62.63 1ul7 h ILE 92 Cb 0.02 1.22 -0.06 0.00 0.47 0.00 0.00 36.82 38.46 1ul7 h ILE 92 CO -0.00 0.32 0.56 0.00 -3.07 0.00 0.00 178.15 175.96 1ul7 h ALA 93 N 1.48 1.92 0.00 0.18 0.00 -1.11 0.43 119.26 122.16 1ul7 h ALA 93 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ul7 h ALA 93 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ul7 h ALA 93 CO 0.03 -0.16 0.00 1.03 0.00 0.00 0.00 179.25 180.15 1ul7 h SER 94 N 0.61 0.00 0.16 0.00 0.87 -0.94 -1.92 113.55 112.33 1ul7 h SER 94 Ca 0.43 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.69 1ul7 h SER 94 Cb 0.78 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.75 1ul7 h SER 94 CO -0.18 0.00 -1.46 0.11 -0.53 0.00 0.00 176.83 174.77 1ul7 h LYS 95 N 0.00 0.34 0.15 2.24 1.79 -0.23 -3.32 116.57 117.54 1ul7 h LYS 95 Ca 0.00 -0.58 -0.01 0.00 -2.18 0.00 0.00 60.65 57.89 1ul7 h LYS 95 Cb 0.42 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 1ul7 h LYS 95 CO 0.00 1.28 -0.07 0.82 -1.08 0.00 0.00 179.45 180.39 1ul7 h ILE 96 N -0.12 0.00 -1.28 1.86 1.08 -1.31 0.32 117.51 118.06 1ul7 h ILE 96 Ca -0.29 -0.42 0.37 0.00 -0.39 0.00 0.00 64.86 64.13 1ul7 h ILE 96 Cb 1.91 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.61 1ul7 h ILE 96 CO 0.14 0.00 1.26 0.00 -0.69 0.00 0.00 178.15 178.86 1ul7 n ALA 97 N -2.43 1.23 -0.05 1.87 0.00 -0.73 -0.23 120.51 120.16 1ul7 n ALA 97 Ca -0.03 0.42 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 1ul7 n ALA 97 Cb 0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 1ul7 n ALA 97 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ul7 n ASN 98 N -3.40 1.20 -0.32 0.00 4.13 -1.23 -4.50 115.26 111.14 1ul7 n ASN 98 Ca 0.29 0.28 0.22 0.00 1.68 0.00 0.00 54.58 57.05 1ul7 n ASN 98 Cb 1.65 -0.67 0.43 0.00 -1.54 0.00 0.00 39.78 39.64 1ul7 n ASN 98 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1ul7 h GLU 99 N -0.63 0.12 -5.01 3.52 4.39 0.63 -3.38 114.58 114.21 1ul7 h GLU 99 Ca 0.00 -0.01 -0.40 0.00 0.34 0.00 0.00 59.36 59.30 1ul7 h GLU 99 Cb 0.55 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.07 1ul7 h GLU 99 CO 0.00 0.08 1.91 1.28 -1.16 0.00 0.00 179.01 181.12 1ul7 n LEU 100 N -5.26 -0.83 -4.08 1.33 4.77 0.68 -4.73 117.00 108.88 1ul7 n LEU 100 Ca 0.30 -0.34 -0.39 0.00 -0.03 0.00 0.00 56.01 55.54 1ul7 n LEU 100 Cb 0.97 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1ul7 n LEU 100 CO 0.02 -1.24 2.05 0.29 -1.33 0.00 0.00 177.39 177.18 1ul7 n LYS 101 N 6.53 2.15 0.00 3.23 5.02 -1.26 -5.03 118.16 128.79 1ul7 n LYS 101 Ca 0.67 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1ul7 n LYS 101 Cb 0.12 -3.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.80 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16