#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 2.02 -0.08 1.61 0.15 -1.26 -5.00 113.70 111.14 1ul7 s SER 2 Ca 0.00 -0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.34 1ul7 s SER 2 Cb 0.00 -0.93 -0.07 0.00 -1.71 0.00 0.00 66.02 63.31 1ul7 s SER 2 CO 0.00 0.05 -0.02 -1.20 1.20 0.00 0.00 173.24 173.27 1ul7 n SER 3 N 3.82 3.32 -4.13 5.45 7.64 -1.26 -4.93 113.62 123.53 1ul7 n SER 3 Ca -0.22 -0.02 -0.35 0.00 1.01 0.00 0.00 58.87 59.29 1ul7 n SER 3 Cb 0.52 0.31 -0.13 0.00 -1.01 0.00 0.00 64.21 63.89 1ul7 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ul7 s GLY 4 N -4.29 1.85 0.07 0.23 0.00 -1.26 -5.08 107.32 98.84 1ul7 s GLY 4 Ca -0.07 -2.12 0.02 0.00 0.00 0.00 0.00 44.72 42.55 1ul7 s GLY 4 CO 0.24 0.83 -0.06 -0.45 0.00 0.00 0.00 173.10 173.66 1ul7 s SER 5 N 1.39 0.94 0.54 1.64 0.15 -1.26 -5.15 113.70 111.95 1ul7 s SER 5 Ca 0.01 -0.82 -0.18 0.00 0.70 0.00 0.00 55.95 55.66 1ul7 s SER 5 Cb -0.21 0.08 -0.06 0.00 -1.71 0.00 0.00 66.02 64.13 1ul7 s SER 5 CO -0.03 -0.38 1.07 -0.94 1.20 0.00 0.00 173.24 174.16 1ul7 s SER 6 N -2.44 5.96 0.00 5.45 1.04 -1.26 -4.74 113.70 117.71 1ul7 s SER 6 Ca 0.02 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.40 1ul7 s SER 6 Cb -0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.56 1ul7 s SER 6 CO -0.03 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.75 1ul7 n GLY 7 N -0.42 -0.50 2.56 7.32 0.00 -1.26 -5.05 105.19 107.83 1ul7 n GLY 7 Ca 0.10 0.33 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 1.16 -0.56 1.61 0.52 -1.26 -5.06 118.95 115.36 1ul7 s ARG 8 Ca 0.00 -2.12 -0.06 0.00 -0.52 0.00 0.00 55.73 53.03 1ul7 s ARG 8 Cb 0.00 -1.91 0.15 0.00 0.52 0.00 0.00 34.95 33.71 1ul7 s ARG 8 CO 0.00 -1.29 0.40 -0.06 0.02 0.00 0.00 175.30 174.38 1ul7 s PHE 9 N 0.09 3.49 0.79 -0.53 0.08 -1.26 -5.08 117.98 115.56 1ul7 s PHE 9 Ca 0.25 -2.33 -0.13 0.00 0.12 0.00 0.00 56.93 54.84 1ul7 s PHE 9 Cb -0.09 -3.36 0.21 0.00 -0.57 0.00 0.00 43.02 39.20 1ul7 s PHE 9 CO -0.11 -0.93 0.47 0.25 -0.10 0.00 0.00 175.22 174.80 1ul7 n THR 10 N 4.17 0.00 -0.02 0.64 -2.24 -1.26 -4.96 114.28 110.62 1ul7 n THR 10 Ca 0.02 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 1ul7 n THR 10 Cb 0.40 -0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 1ul7 n THR 10 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1ul7 h TRP 11 N -2.88 -0.04 -1.14 4.78 6.55 -1.99 -3.47 115.95 117.76 1ul7 h TRP 11 Ca -0.21 -0.00 0.17 0.00 0.95 0.00 0.00 58.89 59.80 1ul7 h TRP 11 Cb 0.72 0.01 -0.29 0.00 -0.86 0.00 0.00 29.16 28.74 1ul7 h TRP 11 CO 0.00 0.59 0.53 0.45 -1.05 0.00 0.00 178.44 178.95 1ul7 s SER 12 N -5.81 -0.29 -0.31 -3.49 0.15 -1.26 -5.13 113.70 97.56 1ul7 s SER 12 Ca -0.16 0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1ul7 s SER 12 Cb 0.00 1.17 0.10 0.00 -1.71 0.00 0.00 66.02 65.58 1ul7 s SER 12 CO 0.64 -0.07 0.08 -0.32 1.20 0.00 0.00 173.24 174.77 1ul7 s MET 13 N 1.42 0.91 -0.46 5.44 1.75 -1.26 -4.26 119.30 122.84 1ul7 s MET 13 Ca -0.07 -1.24 0.08 0.00 -1.25 0.00 0.00 55.69 53.22 1ul7 s MET 13 Cb -0.03 -2.28 0.39 0.00 2.84 0.00 0.00 34.83 35.75 1ul7 s MET 13 CO -0.13 -0.96 0.96 1.63 -0.65 0.00 0.00 175.02 175.87 1ul7 n LYS 14 N 4.71 2.55 -3.64 4.11 5.02 -1.26 -5.03 118.16 124.62 1ul7 n LYS 14 Ca -0.01 -4.22 -0.08 0.00 -2.02 0.00 0.00 58.31 51.98 1ul7 n LYS 14 Cb 0.42 -1.98 -0.07 0.00 -0.02 0.00 0.00 35.03 33.38 1ul7 n LYS 14 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ul7 s THR 15 N -4.22 0.00 -0.03 -0.18 2.01 -1.26 -4.95 115.64 107.02 1ul7 s THR 15 Ca 0.43 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.43 1ul7 s THR 15 Cb 0.36 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.90 1ul7 s THR 15 CO -0.12 0.00 0.06 0.42 -0.69 0.00 0.00 174.62 174.29 1ul7 s THR 16 N 0.70 -0.06 -0.12 -0.82 -4.23 -1.26 -4.20 115.64 105.64 1ul7 s THR 16 Ca -0.02 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.70 1ul7 s THR 16 Cb -0.05 -0.11 0.02 0.00 1.34 0.00 0.00 72.50 73.70 1ul7 s THR 16 CO -0.09 0.08 -0.11 -0.55 -0.54 0.00 0.00 174.62 173.41 1ul7 s SER 17 N 1.07 2.37 -0.99 3.99 0.15 -1.14 -4.99 113.70 114.16 1ul7 s SER 17 Ca -0.09 -0.38 -0.08 0.00 0.70 0.00 0.00 55.95 56.09 1ul7 s SER 17 Cb -0.12 -0.99 -0.15 0.00 -1.71 0.00 0.00 66.02 63.04 1ul7 s SER 17 CO -0.04 -0.07 3.20 -1.54 1.20 0.00 0.00 173.24 176.00 1ul7 n SER 18 N 4.72 7.40 -3.56 5.45 3.41 -1.26 -3.20 113.62 126.58 1ul7 n SER 18 Ca -0.16 -2.56 -0.17 0.00 -0.26 0.00 0.00 58.87 55.73 1ul7 n SER 18 Cb 0.50 -1.50 -0.08 0.00 -0.26 0.00 0.00 64.21 62.87 1ul7 n SER 18 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1ul7 s MET 19 N 1.59 1.63 0.56 4.33 -1.94 -1.26 -5.05 119.30 119.16 1ul7 s MET 19 Ca 0.68 -1.88 -0.17 0.00 -1.71 0.00 0.00 55.69 52.61 1ul7 s MET 19 Cb 0.24 0.33 -0.05 0.00 2.01 0.00 0.00 34.83 37.35 1ul7 s MET 19 CO -0.04 -0.60 1.05 -0.51 -0.01 0.00 0.00 175.02 174.91 1ul7 s ASP 20 N -3.30 5.97 0.20 3.03 1.01 -1.26 -4.45 116.67 117.87 1ul7 s ASP 20 Ca 0.39 1.85 -0.03 0.00 0.71 0.00 0.00 52.55 55.46 1ul7 s ASP 20 Cb 0.03 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.57 1ul7 s ASP 20 CO 0.23 -1.04 1.56 1.55 0.21 0.00 0.00 175.17 177.68 1ul7 h PRO 21 N 0.80 0.64 -0.71 8.23 0.13 -1.96 -2.74 132.00 136.39 1ul7 h PRO 21 Ca -0.48 -0.33 0.04 0.00 -0.87 0.00 0.00 66.00 64.36 1ul7 h PRO 21 Cb 1.22 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.32 1ul7 h PRO 21 CO 0.58 0.94 0.47 0.66 -0.23 0.00 0.00 178.00 180.41 1ul7 h SER 22 N 0.52 0.73 0.41 1.44 4.64 -2.00 -1.93 113.55 117.35 1ul7 h SER 22 Ca 0.04 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.12 1ul7 h SER 22 Cb 0.94 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1ul7 h SER 22 CO 0.08 0.50 -0.99 -0.78 -0.87 0.00 0.00 176.83 174.77 1ul7 h ASP 23 N 0.84 0.49 -0.07 4.97 1.82 -1.94 -3.33 116.42 119.20 1ul7 h ASP 23 Ca 0.29 -0.42 0.04 0.00 -0.39 0.00 0.00 57.03 56.55 1ul7 h ASP 23 Cb 0.09 -0.15 -0.06 0.00 0.68 0.00 0.00 39.33 39.89 1ul7 h ASP 23 CO -0.08 1.23 -0.40 0.24 -1.61 0.00 0.00 179.24 178.61 1ul7 h MET 24 N 0.19 -0.49 -0.89 0.28 2.86 -1.04 -1.80 114.93 114.04 1ul7 h MET 24 Ca -0.09 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.78 1ul7 h MET 24 Cb 1.64 0.11 -0.17 0.00 0.06 0.00 0.00 31.60 33.24 1ul7 h MET 24 CO 0.17 -0.33 -0.17 -1.33 1.06 0.00 0.00 176.91 176.31 1ul7 n MET 25 N -5.44 -0.08 -0.03 1.72 2.81 -1.12 0.60 117.12 115.58 1ul7 n MET 25 Ca -0.05 1.37 -0.08 0.00 -1.81 0.00 0.00 57.70 57.14 1ul7 n MET 25 Cb 0.36 -2.08 -0.02 0.00 -0.71 0.00 0.00 33.22 30.77 1ul7 n MET 25 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1ul7 h ARG 26 N 0.00 -0.19 -0.93 0.03 2.43 -1.49 -1.50 114.38 112.73 1ul7 h ARG 26 Ca 0.45 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.67 1ul7 h ARG 26 Cb 0.75 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.29 1ul7 h ARG 26 CO -0.90 -0.13 0.61 1.49 -1.51 0.00 0.00 179.97 179.53 1ul7 h GLU 27 N -0.19 1.15 -0.50 0.20 4.57 0.27 0.14 114.58 120.21 1ul7 h GLU 27 Ca 0.12 -0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.33 1ul7 h GLU 27 Cb 0.38 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1ul7 h GLU 27 CO -0.32 0.76 0.34 0.82 -1.18 0.00 0.00 179.01 179.43 1ul7 h ILE 28 N 1.18 0.89 0.16 2.32 2.04 -0.11 0.50 117.51 124.50 1ul7 h ILE 28 Ca 0.37 -0.10 -0.36 0.00 1.00 0.00 0.00 64.86 65.77 1ul7 h ILE 28 Cb -0.01 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ul7 h ILE 28 CO -0.12 0.05 -1.84 0.03 0.00 0.00 0.00 178.15 176.28 1ul7 h ARG 29 N 0.29 0.35 0.00 2.37 3.08 -0.63 -2.71 114.38 117.13 1ul7 h ARG 29 Ca 0.23 -0.59 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1ul7 h ARG 29 Cb 0.53 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1ul7 h ARG 29 CO -0.05 1.28 -0.09 1.57 -1.07 0.00 0.00 179.97 181.61 1ul7 h LYS 30 N 0.08 0.00 0.00 0.04 5.09 -0.20 -1.91 116.57 119.67 1ul7 h LYS 30 Ca -0.37 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.26 1ul7 h LYS 30 Cb 2.07 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 34.38 1ul7 h LYS 30 CO 0.14 0.09 -0.71 0.28 -2.09 0.00 0.00 179.45 177.17 1ul7 h VAL 31 N 0.00 0.78 -0.04 0.07 2.07 -1.04 -3.35 116.25 114.75 1ul7 h VAL 31 Ca -0.00 -1.82 0.02 0.00 0.82 0.00 0.00 66.70 65.72 1ul7 h VAL 31 Cb 0.19 1.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1ul7 h VAL 31 CO 0.01 0.27 -0.52 -0.07 0.02 0.00 0.00 177.57 177.27 1ul7 h LEU 32 N -1.00 -1.63 -1.59 2.57 3.38 -1.43 0.14 115.31 115.75 1ul7 h LEU 32 Ca -0.16 0.19 0.21 0.00 0.09 0.00 0.00 57.88 58.21 1ul7 h LEU 32 Cb 0.92 0.63 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 1ul7 h LEU 32 CO -0.10 -0.50 0.81 1.23 0.09 0.00 0.00 178.44 179.98 1ul7 h GLY 33 N -0.63 0.00 1.74 0.83 0.00 -1.56 0.88 103.07 104.34 1ul7 h GLY 33 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.15 1ul7 h GLY 33 CO -0.37 0.00 -0.86 0.00 0.00 0.00 0.00 176.54 175.30 1ul7 h ALA 34 N 1.07 0.52 -0.51 3.60 0.00 -0.85 -3.17 119.26 119.92 1ul7 h ALA 34 Ca 0.35 -0.71 -0.28 0.00 0.00 0.00 0.00 54.91 54.28 1ul7 h ALA 34 Cb 1.97 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 19.54 1ul7 h ALA 34 CO -0.00 0.88 0.35 0.09 0.00 0.00 0.00 179.25 180.57 1ul7 n ASN 35 N -3.69 3.81 -4.27 0.00 3.02 0.31 -4.87 115.26 109.57 1ul7 n ASN 35 Ca -0.04 -2.86 -0.32 0.00 -0.03 0.00 0.00 54.58 51.33 1ul7 n ASN 35 Cb 0.80 -0.72 -0.09 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.26 0.48 -4.49 6.41 3.02 -1.19 -4.92 115.26 114.30 1ul7 n ASN 36 Ca 0.31 -1.26 -0.31 0.00 -0.03 0.00 0.00 54.58 53.29 1ul7 n ASN 36 Cb 1.03 -1.56 -0.12 0.00 -0.61 0.00 0.00 39.78 38.52 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 -1.45 6.46 0.17 0.00 1.11 -0.52 -4.42 116.67 118.02 1ul7 s ASP 38 Ca 0.15 0.54 0.08 0.00 0.18 0.00 0.00 52.55 53.51 1ul7 s ASP 38 Cb -0.11 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.60 1ul7 s ASP 38 CO 0.06 -0.10 -0.17 -0.72 1.18 0.00 0.00 175.17 175.43 1ul7 s TYR 39 N 1.38 1.75 0.12 4.23 1.13 -1.26 -1.14 117.35 123.56 1ul7 s TYR 39 Ca 0.20 -0.51 -0.09 0.00 -1.41 0.00 0.00 57.07 55.26 1ul7 s TYR 39 Cb -0.15 -0.86 -0.00 0.00 -1.10 0.00 0.00 41.96 39.85 1ul7 s TYR 39 CO 0.08 0.33 0.25 -1.21 -2.51 0.00 0.00 175.55 172.49 1ul7 s GLU 40 N -3.05 0.99 0.07 -3.49 8.01 -1.18 -4.92 118.70 115.13 1ul7 s GLU 40 Ca 0.17 -1.03 -0.31 0.00 0.01 0.00 0.00 54.97 53.82 1ul7 s GLU 40 Cb -0.04 0.37 -0.06 0.00 -4.31 0.00 0.00 34.13 30.08 1ul7 s GLU 40 CO 0.06 -0.34 1.25 -1.14 0.01 0.00 0.00 175.26 175.11 1ul7 s GLN 41 N -3.90 4.40 0.00 1.61 -0.44 -1.26 -1.14 119.66 118.92 1ul7 s GLN 41 Ca 0.10 1.85 0.00 0.00 -2.50 0.00 0.00 55.36 54.81 1ul7 s GLN 41 Cb 0.04 -3.33 0.00 0.00 -1.64 0.00 0.00 33.01 28.08 1ul7 s GLN 41 CO -0.07 -0.31 0.00 0.54 0.50 0.00 0.00 175.29 175.95 1ul7 n ARG 42 N 3.98 0.00 -3.61 1.67 5.12 -0.98 -4.85 116.66 117.99 1ul7 n ARG 42 Ca 0.10 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.83 1ul7 n ARG 42 Cb 0.45 -0.04 -0.04 0.00 -1.16 0.00 0.00 32.46 31.67 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 -2.23 1.15 -0.34 5.56 -0.58 -0.94 -4.95 120.64 118.31 1ul7 n GLU 43 Ca 0.00 -2.24 0.09 0.00 -0.42 0.00 0.00 57.16 54.59 1ul7 n GLU 43 Cb 0.00 0.71 0.27 0.00 -0.57 0.00 0.00 31.44 31.85 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 0.80 -0.15 3.49 2.43 -2.01 -2.91 114.38 116.04 1ul7 h ARG 44 Ca -0.25 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 58.70 1ul7 h ARG 44 Cb 0.78 -0.18 -0.29 0.00 -0.42 0.00 0.00 29.97 29.85 1ul7 h ARG 44 CO 0.41 0.53 -0.89 1.19 -1.51 0.00 0.00 179.97 179.70 1ul7 n PHE 45 N -4.73 0.49 -4.41 2.20 3.72 -1.26 -5.06 117.46 108.40 1ul7 n PHE 45 Ca 0.20 -1.22 -0.21 0.00 -0.05 0.00 0.00 57.45 56.17 1ul7 n PHE 45 Cb 0.46 -0.21 -0.13 0.00 -0.94 0.00 0.00 39.48 38.65 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 -1.88 2.17 0.00 4.37 2.96 -1.10 -0.17 118.68 125.03 1ul7 s LEU 46 Ca 0.36 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1ul7 s LEU 46 Cb 0.37 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 46.37 1ul7 s LEU 46 CO -0.10 0.06 0.05 -0.76 -1.32 0.00 0.00 176.35 174.29 1ul7 s LEU 47 N -1.16 1.88 0.37 -0.68 1.43 -0.46 -2.21 118.68 117.85 1ul7 s LEU 47 Ca 0.03 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 1ul7 s LEU 47 Cb -0.08 0.35 -0.08 0.00 0.03 0.00 0.00 46.19 46.41 1ul7 s LEU 47 CO 0.01 -0.28 0.79 0.12 0.23 0.00 0.00 176.35 177.22 1ul7 s PHE 48 N -1.16 3.40 0.03 0.29 2.19 -0.29 -1.01 117.98 121.42 1ul7 s PHE 48 Ca -0.13 1.23 0.04 0.00 0.33 0.00 0.00 56.93 58.40 1ul7 s PHE 48 Cb -0.07 -2.56 -0.02 0.00 -1.31 0.00 0.00 43.02 39.06 1ul7 s PHE 48 CO 0.00 -0.02 -0.12 0.00 1.83 0.00 0.00 175.22 176.91 1ul7 s VAL 50 N -0.72 -0.01 0.06 0.00 1.01 -0.29 -2.20 120.40 118.25 1ul7 s VAL 50 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 1ul7 s VAL 50 Cb -0.07 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1ul7 s VAL 50 CO 0.01 0.01 0.29 -2.28 0.00 0.00 0.00 175.10 173.13 1ul7 s HIS 51 N 0.49 -0.07 -0.64 5.22 2.46 -1.17 -1.44 115.29 120.14 1ul7 s HIS 51 Ca -0.03 -0.13 0.03 0.00 0.47 0.00 0.00 55.06 55.40 1ul7 s HIS 51 Cb -0.04 0.08 0.37 0.00 -0.13 0.00 0.00 32.58 32.86 1ul7 s HIS 51 CO -0.03 -0.52 1.38 0.41 -2.47 0.00 0.00 174.74 173.51 1ul7 n GLY 52 N 0.43 5.83 0.24 1.59 0.00 -1.26 -3.25 105.19 108.77 1ul7 n GLY 52 Ca -0.18 -2.68 0.01 0.00 0.00 0.00 0.00 46.02 43.17 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 2.98 0.20 -0.15 1.61 1.82 -1.96 -3.44 116.42 117.48 1ul7 h ASP 53 Ca 0.35 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 1ul7 h ASP 53 Cb 0.54 0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.62 1ul7 h ASP 53 CO 1.02 0.11 0.00 0.61 -1.61 0.00 0.00 179.24 179.37 1ul7 n GLY 54 N -1.30 4.09 3.67 -0.78 0.00 -1.26 -5.12 105.19 104.49 1ul7 n GLY 54 Ca 0.10 -1.86 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 2.25 2.06 0.10 1.61 3.76 -1.26 -4.84 115.29 118.98 1ul7 s HIS 55 Ca 0.00 1.17 -0.26 0.00 -0.15 0.00 0.00 55.06 55.82 1ul7 s HIS 55 Cb 0.00 -3.20 -0.13 0.00 1.11 0.00 0.00 32.58 30.36 1ul7 s HIS 55 CO 0.00 -2.82 1.69 0.00 -0.85 0.00 0.00 174.74 172.75 1ul7 h ALA 56 N -1.85 -0.30 0.00 -1.40 0.00 -1.99 -0.92 119.26 112.80 1ul7 h ALA 56 Ca -0.53 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ul7 h ALA 56 Cb 1.31 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ul7 h ALA 56 CO 0.54 -0.68 0.00 0.39 0.00 0.00 0.00 179.25 179.50 1ul7 n GLU 57 N -5.26 0.14 -0.80 0.00 -0.58 -1.26 -1.05 120.64 111.82 1ul7 n GLU 57 Ca -0.08 0.58 -0.04 0.00 -0.42 0.00 0.00 57.16 57.20 1ul7 n GLU 57 Cb 0.18 -1.90 0.21 0.00 -0.57 0.00 0.00 31.44 29.36 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1ul7 n ASN 58 N -2.18 2.89 -4.72 1.62 5.03 -0.39 -5.04 115.26 112.47 1ul7 n ASN 58 Ca -0.01 -3.63 -0.34 0.00 0.87 0.00 0.00 54.58 51.48 1ul7 n ASN 58 Cb 0.07 -0.65 0.10 0.00 -1.02 0.00 0.00 39.78 38.28 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 -3.18 3.29 0.01 3.41 2.96 -0.22 -4.52 118.68 120.43 1ul7 s LEU 59 Ca 0.46 2.36 0.08 0.00 -0.22 0.00 0.00 54.13 56.81 1ul7 s LEU 59 Cb 0.41 -4.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.48 1ul7 s LEU 59 CO 0.03 -2.32 -0.25 -0.69 -1.32 0.00 0.00 176.35 171.80 1ul7 s VAL 60 N -2.00 2.19 -0.04 1.68 1.01 -1.20 -4.66 120.40 117.39 1ul7 s VAL 60 Ca 0.74 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.52 1ul7 s VAL 60 Cb -0.29 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1ul7 s VAL 60 CO 0.46 0.49 0.07 -1.10 0.00 0.00 0.00 175.10 175.02 1ul7 s GLN 61 N -0.90 0.01 0.14 2.72 -0.21 -1.23 -3.05 119.66 117.14 1ul7 s GLN 61 Ca 0.11 0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.62 1ul7 s GLN 61 Cb -0.10 -0.21 0.00 0.00 1.00 0.00 0.00 33.01 33.70 1ul7 s GLN 61 CO 0.01 -0.16 0.30 1.67 -2.12 0.00 0.00 175.29 174.99 1ul7 s TRP 62 N 1.05 0.17 0.18 0.91 -2.14 -0.93 -1.99 118.94 116.17 1ul7 s TRP 62 Ca -0.09 -0.54 0.11 0.00 2.66 0.00 0.00 56.10 58.25 1ul7 s TRP 62 Cb -0.12 0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.26 1ul7 s TRP 62 CO -0.04 -0.69 -0.24 -1.21 -2.66 0.00 0.00 176.95 172.11 1ul7 s GLU 63 N -3.90 1.47 -0.11 3.25 2.02 0.66 0.88 118.70 122.99 1ul7 s GLU 63 Ca 0.10 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1ul7 s GLU 63 Cb 0.03 -1.82 0.02 0.00 0.10 0.00 0.00 34.13 32.46 1ul7 s GLU 63 CO -0.05 0.40 -0.08 -1.64 0.02 0.00 0.00 175.26 173.90 1ul7 s MET 64 N -2.53 1.55 0.14 1.61 -1.94 -0.18 -0.90 119.30 117.05 1ul7 s MET 64 Ca 0.19 -0.28 0.09 0.00 -1.71 0.00 0.00 55.69 53.97 1ul7 s MET 64 Cb -0.08 -1.55 -0.04 0.00 2.01 0.00 0.00 34.83 35.16 1ul7 s MET 64 CO 0.09 -0.22 -0.13 -2.00 -0.01 0.00 0.00 175.02 172.75 1ul7 s GLU 65 N 1.53 1.96 -0.27 2.03 -6.30 -0.62 -1.35 118.70 115.68 1ul7 s GLU 65 Ca 0.02 -1.18 -0.06 0.00 -2.50 0.00 0.00 54.97 51.25 1ul7 s GLU 65 Cb -0.13 -2.17 0.00 0.00 0.00 0.00 0.00 34.13 31.83 1ul7 s GLU 65 CO -0.06 0.47 0.05 0.08 0.02 0.00 0.00 175.26 175.81 1ul7 s VAL 66 N -1.37 3.83 0.07 3.70 1.01 0.76 -0.27 120.40 128.13 1ul7 s VAL 66 Ca 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.58 1ul7 s VAL 66 Cb -0.10 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1ul7 s VAL 66 CO 0.13 0.18 -0.04 0.00 0.00 0.00 0.00 175.10 175.37 1ul7 s LYS 68 N -3.78 4.71 0.45 0.00 2.36 -1.26 -3.03 119.74 119.18 1ul7 s LYS 68 Ca 0.08 1.37 -0.25 0.00 -2.55 0.00 0.00 55.97 54.62 1ul7 s LYS 68 Cb 0.06 -3.32 -0.08 0.00 -1.05 0.00 0.00 37.83 33.44 1ul7 s LYS 68 CO -0.08 0.39 1.42 -0.51 1.55 0.00 0.00 175.35 178.13 1ul7 s LEU 69 N -0.63 4.12 0.02 5.43 2.01 -1.05 -4.94 118.68 123.64 1ul7 s LEU 69 Ca 0.42 2.91 -0.22 0.00 0.01 0.00 0.00 54.13 57.25 1ul7 s LEU 69 Cb -0.24 -3.93 -0.16 0.00 0.01 0.00 0.00 46.19 41.87 1ul7 s LEU 69 CO 0.29 -1.17 1.32 1.55 1.01 0.00 0.00 176.35 179.36 1ul7 h PRO 70 N 2.34 0.25 0.00 1.29 0.13 -1.95 -3.37 132.00 130.69 1ul7 h PRO 70 Ca -0.51 -0.13 -0.19 0.00 -0.87 0.00 0.00 66.00 64.30 1ul7 h PRO 70 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1ul7 h PRO 70 CO 0.61 0.66 -1.06 -0.09 -0.23 0.00 0.00 178.00 177.90 1ul7 h ARG 71 N -0.15 0.00 -7.44 0.86 2.43 -1.99 -3.48 114.38 104.61 1ul7 h ARG 71 Ca 0.02 -0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.71 1ul7 h ARG 71 Cb 0.62 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 30.25 1ul7 h ARG 71 CO 0.03 1.00 0.34 -0.51 -1.51 0.00 0.00 179.97 179.32 1ul7 s LEU 72 N -7.92 2.79 -0.13 3.80 1.43 -1.26 -5.02 118.68 112.36 1ul7 s LEU 72 Ca -0.27 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1ul7 s LEU 72 Cb 0.04 -3.47 -0.24 0.00 0.03 0.00 0.00 46.19 42.56 1ul7 s LEU 72 CO 0.61 -1.56 0.31 -0.24 0.23 0.00 0.00 176.35 175.70 1ul7 n SER 73 N -3.04 1.53 -3.27 2.29 2.88 -1.26 -4.15 113.62 108.60 1ul7 n SER 73 Ca 0.07 0.18 -0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1ul7 n SER 73 Cb 0.59 -0.37 0.13 0.00 -0.75 0.00 0.00 64.21 63.81 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 -3.25 0.00 -4.05 2.46 -0.00 -1.26 -4.54 117.00 106.36 1ul7 n LEU 74 Ca -0.30 -0.37 -0.26 0.00 -0.00 0.00 0.00 56.01 55.08 1ul7 n LEU 74 Cb 1.05 -0.54 -0.17 0.00 -0.00 0.00 0.00 43.42 43.77 1ul7 n LEU 74 CO 0.41 -2.13 -0.48 0.20 -0.00 0.00 0.00 177.39 175.38 1ul7 s ASN 75 N -2.11 1.98 0.00 1.45 -0.87 -1.19 -2.53 114.94 111.67 1ul7 s ASN 75 Ca 0.28 -0.34 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 1ul7 s ASN 75 Cb -0.05 -0.91 0.00 0.00 -0.02 0.00 0.00 41.25 40.27 1ul7 s ASN 75 CO 0.24 0.05 0.00 0.61 -2.57 0.00 0.00 177.10 175.43 1ul7 n GLY 76 N 3.79 3.26 3.47 0.66 0.00 -1.17 -2.90 105.19 112.30 1ul7 n GLY 76 Ca -0.22 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.33 1ul7 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ul7 s VAL 77 N 0.31 2.94 -0.39 1.61 1.01 -1.26 -3.76 120.40 120.86 1ul7 s VAL 77 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1ul7 s VAL 77 Cb 0.00 -2.18 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1ul7 s VAL 77 CO 0.00 0.50 0.22 -0.13 0.00 0.00 0.00 175.10 175.69 1ul7 s ARG 78 N -0.99 2.72 -0.63 2.72 0.52 0.63 -4.81 118.95 119.12 1ul7 s ARG 78 Ca 0.13 -1.25 -0.22 0.00 -0.52 0.00 0.00 55.73 53.87 1ul7 s ARG 78 Cb -0.11 -3.74 0.07 0.00 0.52 0.00 0.00 34.95 31.70 1ul7 s ARG 78 CO 0.02 -0.81 0.89 -0.06 0.02 0.00 0.00 175.30 175.36 1ul7 s PHE 79 N 1.49 2.77 -0.32 -0.53 0.40 -1.26 -1.59 117.98 118.94 1ul7 s PHE 79 Ca 0.02 -0.59 -0.08 0.00 -0.60 0.00 0.00 56.93 55.68 1ul7 s PHE 79 Cb -0.21 -4.17 0.02 0.00 0.51 0.00 0.00 43.02 39.17 1ul7 s PHE 79 CO 0.05 -1.52 0.13 -1.59 0.70 0.00 0.00 175.22 172.99 1ul7 s LYS 80 N 3.68 2.99 0.21 0.44 -2.85 -0.08 -4.51 119.74 119.63 1ul7 s LYS 80 Ca 0.20 -0.94 -0.30 0.00 -1.00 0.00 0.00 55.97 53.93 1ul7 s LYS 80 Cb -0.18 -3.50 -0.09 0.00 -2.06 0.00 0.00 37.83 32.00 1ul7 s LYS 80 CO 0.10 -0.54 1.29 0.50 0.10 0.00 0.00 175.35 176.80 1ul7 s ARG 81 N 1.51 4.41 -0.26 1.78 3.52 -1.26 -0.24 118.95 128.41 1ul7 s ARG 81 Ca 0.02 2.04 -0.13 0.00 -0.13 0.00 0.00 55.73 57.53 1ul7 s ARG 81 Cb -0.18 -3.19 -0.11 0.00 -1.56 0.00 0.00 34.95 29.91 1ul7 s ARG 81 CO 0.04 -0.21 -0.34 -0.89 -0.81 0.00 0.00 175.30 173.10 1ul7 n ILE 82 N 2.37 1.43 -3.93 4.11 2.08 -0.84 -4.88 119.36 119.71 1ul7 n ILE 82 Ca 0.05 -0.33 -0.10 0.00 0.56 0.00 0.00 62.75 62.93 1ul7 n ILE 82 Cb 0.43 -1.88 -0.06 0.00 -0.75 0.00 0.00 39.64 37.38 1ul7 n ILE 82 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1ul7 s SER 83 N -7.26 -0.05 0.00 4.38 1.04 -0.91 -5.03 113.70 105.87 1ul7 s SER 83 Ca -0.36 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1ul7 s SER 83 Cb 0.13 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1ul7 s SER 83 CO 0.46 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.31 1ul7 n GLY 84 N -0.28 0.49 2.28 7.32 0.00 -1.26 -3.51 105.19 110.23 1ul7 n GLY 84 Ca -0.06 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 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 0.74 0.00 0.08 2.61 5.66 -1.26 -4.76 114.28 117.34 1ul7 n THR 85 Ca 0.00 -0.38 -0.11 0.00 -3.05 0.00 0.00 64.05 60.51 1ul7 n THR 85 Cb 0.00 -1.27 -0.12 0.00 -1.55 0.00 0.00 70.33 67.39 1ul7 n THR 85 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1ul7 h SER 86 N -1.87 0.18 -0.61 1.09 0.02 -1.96 -1.13 113.55 109.26 1ul7 h SER 86 Ca -0.26 -0.19 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1ul7 h SER 86 Cb 0.79 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.24 1ul7 h SER 86 CO 0.18 1.14 0.41 0.40 -1.14 0.00 0.00 176.83 177.81 1ul7 h ILE 87 N 0.04 1.08 0.03 3.27 2.04 -1.98 0.20 117.51 122.19 1ul7 h ILE 87 Ca -0.06 -0.25 -0.32 0.00 1.00 0.00 0.00 64.86 65.22 1ul7 h ILE 87 Cb 1.83 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1ul7 h ILE 87 CO 0.16 0.13 -1.80 0.00 0.00 0.00 0.00 178.15 176.64 1ul7 n ALA 88 N -2.46 0.95 -0.13 1.87 0.00 -1.23 -3.39 120.51 116.12 1ul7 n ALA 88 Ca 0.07 -0.69 0.08 0.00 0.00 0.00 0.00 53.44 52.90 1ul7 n ALA 88 Cb 0.13 -0.40 0.41 0.00 0.00 0.00 0.00 19.45 19.58 1ul7 n ALA 88 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ul7 h PHE 89 N -0.68 0.63 0.00 0.00 3.57 -1.16 -0.75 116.94 118.55 1ul7 h PHE 89 Ca -0.46 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 60.89 1ul7 h PHE 89 Cb 1.58 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 1ul7 h PHE 89 CO 0.05 0.33 -0.80 -0.22 -2.23 0.00 0.00 178.31 175.44 1ul7 h LYS 90 N 0.62 0.00 -0.21 1.11 3.11 -0.78 -0.32 116.57 120.10 1ul7 h LYS 90 Ca 0.28 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.12 1ul7 h LYS 90 Cb 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 1ul7 h LYS 90 CO -0.09 0.80 0.12 -0.91 -2.81 0.00 0.00 179.45 176.56 1ul7 h ASN 91 N 0.00 0.25 0.18 4.20 4.21 -1.16 -2.07 115.58 121.20 1ul7 h ASN 91 Ca -0.01 -0.06 -0.33 0.00 1.21 0.00 0.00 56.30 57.12 1ul7 h ASN 91 Cb 1.50 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 38.65 1ul7 h ASN 91 CO 0.10 0.23 -1.60 -0.29 -1.29 0.00 0.00 177.43 174.58 1ul7 h ILE 92 N 0.25 1.03 -0.82 2.81 6.09 -1.55 -3.33 117.51 121.99 1ul7 h ILE 92 Ca 0.07 -2.52 0.22 0.00 -1.37 0.00 0.00 64.86 61.27 1ul7 h ILE 92 Cb 0.03 2.82 -0.04 0.00 0.47 0.00 0.00 36.82 40.10 1ul7 h ILE 92 CO -0.01 0.82 0.58 0.00 -3.07 0.00 0.00 178.15 176.46 1ul7 h ALA 93 N 0.09 2.63 -0.12 0.18 0.00 -1.06 -0.61 119.26 120.37 1ul7 h ALA 93 Ca -0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1ul7 h ALA 93 Cb 2.03 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.85 1ul7 h ALA 93 CO 0.17 -0.87 0.01 1.03 0.00 0.00 0.00 179.25 179.59 1ul7 h SER 94 N 0.09 0.21 0.20 0.00 0.87 -1.47 -2.81 113.55 110.64 1ul7 h SER 94 Ca 0.40 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1ul7 h SER 94 Cb 1.44 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1ul7 h SER 94 CO -0.04 0.45 -0.17 0.11 -0.53 0.00 0.00 176.83 176.65 1ul7 h LYS 95 N -0.05 -0.35 -0.96 2.24 1.79 -1.25 -2.90 116.57 115.09 1ul7 h LYS 95 Ca 0.04 0.02 0.16 0.00 -2.18 0.00 0.00 60.65 58.69 1ul7 h LYS 95 Cb 0.34 0.08 -0.16 0.00 -1.58 0.00 0.00 32.23 30.91 1ul7 h LYS 95 CO 0.01 -0.23 -0.35 -0.89 -1.08 0.00 0.00 179.45 176.90 1ul7 n ILE 96 N -3.34 -0.49 -0.08 1.86 2.08 -1.07 0.34 119.36 118.65 1ul7 n ILE 96 Ca -0.04 2.24 -0.03 0.00 0.56 0.00 0.00 62.75 65.47 1ul7 n ILE 96 Cb 0.16 -2.99 -0.03 0.00 -0.75 0.00 0.00 39.64 36.04 1ul7 n ILE 96 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ul7 h ALA 97 N 1.44 -0.27 0.77 -1.39 0.00 -1.34 0.21 119.26 118.67 1ul7 h ALA 97 Ca 0.36 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1ul7 h ALA 97 Cb 0.60 0.99 0.01 0.00 0.00 0.00 0.00 17.79 19.38 1ul7 h ALA 97 CO -0.96 -0.38 -0.37 -0.91 0.00 0.00 0.00 179.25 176.64 1ul7 h ASN 98 N -0.05 -0.87 -0.72 0.00 2.35 -1.01 -3.18 115.58 112.09 1ul7 h ASN 98 Ca 0.03 0.03 0.13 0.00 -0.55 0.00 0.00 56.30 55.95 1ul7 h ASN 98 Cb 0.14 0.23 -0.13 0.00 0.05 0.00 0.00 38.32 38.61 1ul7 h ASN 98 CO -0.22 -0.52 -0.22 -0.62 -1.65 0.00 0.00 177.43 174.19 1ul7 n GLU 99 N -5.35 -0.11 -1.22 0.81 -0.58 0.15 -4.34 120.64 110.00 1ul7 n GLU 99 Ca -0.13 1.12 -0.46 0.00 -0.42 0.00 0.00 57.16 57.27 1ul7 n GLU 99 Cb 0.41 -1.67 -0.12 0.00 -0.57 0.00 0.00 31.44 29.49 1ul7 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ul7 n LEU 100 N -5.13 0.49 -4.58 -4.62 4.77 0.72 -4.76 117.00 103.89 1ul7 n LEU 100 Ca 0.10 0.41 -0.43 0.00 -0.03 0.00 0.00 56.01 56.06 1ul7 n LEU 100 Cb 0.33 -0.82 -0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1ul7 n LEU 100 CO -0.09 -0.67 1.93 -0.75 -1.33 0.00 0.00 177.39 176.47 1ul7 s LYS 101 N 6.57 3.96 0.00 3.23 2.20 -1.26 -5.03 119.74 129.41 1ul7 s LYS 101 Ca 1.14 -1.95 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1ul7 s LYS 101 Cb -1.25 -5.51 0.00 0.00 -1.51 0.00 0.00 37.83 29.55 1ul7 s LYS 101 CO 0.53 -2.24 0.30 1.28 -0.36 0.00 0.00 175.35 174.85