#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul7 s SER 2 N 0.00 3.89 0.86 1.61 0.01 -1.26 -5.10 113.70 113.71 1ul7 s SER 2 Ca 0.00 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 56.61 1ul7 s SER 2 Cb 0.00 -1.65 -0.05 0.00 0.21 0.00 0.00 66.02 64.53 1ul7 s SER 2 CO 0.00 -0.02 0.04 -0.24 0.41 0.00 0.00 173.24 173.44 1ul7 n SER 3 N 4.73 -3.13 -3.65 2.44 2.88 -1.26 -4.83 113.62 110.80 1ul7 n SER 3 Ca -0.19 0.39 0.02 0.00 -1.33 0.00 0.00 58.87 57.75 1ul7 n SER 3 Cb 0.50 -1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 62.85 1ul7 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ul7 s GLY 4 N -1.49 0.56 -0.11 0.46 0.00 -1.26 -4.90 107.32 100.58 1ul7 s GLY 4 Ca 0.54 3.76 -0.07 0.00 0.00 0.00 0.00 44.72 48.95 1ul7 s GLY 4 CO 0.69 2.70 0.17 0.23 0.00 0.00 0.00 173.10 176.89 1ul7 h SER 5 N 5.09 0.00 0.56 1.64 0.87 -1.96 -3.41 113.55 116.34 1ul7 h SER 5 Ca -0.27 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.04 1ul7 h SER 5 Cb 1.16 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1ul7 h SER 5 CO 0.23 0.64 -0.27 0.28 -0.53 0.00 0.00 176.83 177.18 1ul7 h SER 6 N -1.00 -0.63 0.00 6.23 0.02 -2.03 -3.48 113.55 112.65 1ul7 h SER 6 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ul7 h SER 6 Cb 0.26 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1ul7 h SER 6 CO -0.00 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 175.99 1ul7 n GLY 7 N -0.40 1.60 3.59 -3.77 0.00 -1.26 -5.18 105.19 99.76 1ul7 n GLY 7 Ca -0.09 0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 1ul7 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ul7 s ARG 8 N -0.19 0.81 -0.21 1.61 1.70 -1.26 -5.13 118.95 116.28 1ul7 s ARG 8 Ca 0.00 0.93 -0.10 0.00 -0.47 0.00 0.00 55.73 56.09 1ul7 s ARG 8 Cb 0.00 0.39 0.08 0.00 -0.57 0.00 0.00 34.95 34.85 1ul7 s ARG 8 CO 0.00 -0.10 0.49 -0.06 -1.08 0.00 0.00 175.30 174.55 1ul7 s PHE 9 N 0.31 -0.81 1.04 5.89 0.08 -1.26 -4.77 117.98 118.46 1ul7 s PHE 9 Ca -0.00 1.61 -0.17 0.00 0.12 0.00 0.00 56.93 58.49 1ul7 s PHE 9 Cb -0.05 0.40 0.27 0.00 -0.57 0.00 0.00 43.02 43.07 1ul7 s PHE 9 CO 0.01 -0.44 0.63 0.25 -0.10 0.00 0.00 175.22 175.57 1ul7 n THR 10 N 4.64 0.00 -4.27 0.64 -2.24 -1.26 -5.04 114.28 106.75 1ul7 n THR 10 Ca -0.18 -0.03 -0.30 0.00 -2.27 0.00 0.00 64.05 61.27 1ul7 n THR 10 Cb 0.54 -0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 67.94 1ul7 n THR 10 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1ul7 s TRP 11 N -1.83 2.78 0.42 4.78 1.48 -1.26 -5.11 118.94 120.21 1ul7 s TRP 11 Ca 0.48 -0.13 0.06 0.00 -1.06 0.00 0.00 56.10 55.45 1ul7 s TRP 11 Cb -0.08 -1.47 0.06 0.00 -1.16 0.00 0.00 33.47 30.82 1ul7 s TRP 11 CO 0.40 0.42 0.53 0.43 -4.06 0.00 0.00 176.95 174.67 1ul7 n SER 12 N 0.85 1.69 -4.13 -2.66 7.64 -1.26 -5.07 113.62 110.68 1ul7 n SER 12 Ca -0.14 -2.18 -0.15 0.00 1.01 0.00 0.00 58.87 57.42 1ul7 n SER 12 Cb 0.52 -0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 1ul7 n SER 12 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1ul7 s MET 13 N -3.88 0.71 0.10 1.43 1.75 -1.26 -4.83 119.30 113.32 1ul7 s MET 13 Ca 0.40 -0.95 0.00 0.00 -1.25 0.00 0.00 55.69 53.90 1ul7 s MET 13 Cb -0.03 -0.49 0.00 0.00 2.84 0.00 0.00 34.83 37.14 1ul7 s MET 13 CO 0.26 0.09 0.00 1.63 -0.65 0.00 0.00 175.02 176.35 1ul7 n LYS 14 N 1.09 0.00 -1.52 4.11 5.02 -1.26 -5.09 118.16 120.51 1ul7 n LYS 14 Ca -0.20 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.70 1ul7 n LYS 14 Cb 0.56 -0.14 0.03 0.00 -0.02 0.00 0.00 35.03 35.46 1ul7 n LYS 14 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ul7 n THR 15 N -3.04 2.54 -3.54 -0.18 -1.04 -1.26 -5.01 114.28 102.76 1ul7 n THR 15 Ca 0.00 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.05 61.34 1ul7 n THR 15 Cb 0.00 -0.83 -0.06 0.00 -1.82 0.00 0.00 70.33 67.62 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 -1.58 0.00 -0.05 12.58 -4.23 -1.26 -4.53 115.64 116.57 1ul7 s THR 16 Ca 0.69 -0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1ul7 s THR 16 Cb -0.47 -0.99 0.01 0.00 1.34 0.00 0.00 72.50 72.39 1ul7 s THR 16 CO 0.53 -0.01 0.20 -0.55 -0.54 0.00 0.00 174.62 174.26 1ul7 s SER 17 N -1.04 -0.14 0.00 3.99 0.15 -0.80 -5.03 113.70 110.82 1ul7 s SER 17 Ca -0.10 0.19 0.22 0.00 0.70 0.00 0.00 55.95 56.96 1ul7 s SER 17 Cb -0.01 0.35 0.46 0.00 -1.71 0.00 0.00 66.02 65.11 1ul7 s SER 17 CO 0.09 -0.21 1.41 -0.24 1.20 0.00 0.00 173.24 175.49 1ul7 n SER 18 N 2.28 3.53 -4.82 5.45 2.88 -1.26 -1.22 113.62 120.45 1ul7 n SER 18 Ca -0.17 -1.98 -0.33 0.00 -1.33 0.00 0.00 58.87 55.06 1ul7 n SER 18 Cb 0.57 -0.30 -0.07 0.00 -0.75 0.00 0.00 64.21 63.67 1ul7 n SER 18 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1ul7 s MET 19 N -1.34 4.20 0.43 -1.46 0.00 -1.26 -4.86 119.30 115.00 1ul7 s MET 19 Ca 0.40 1.09 -0.23 0.00 0.00 0.00 0.00 55.69 56.95 1ul7 s MET 19 Cb 0.23 -2.19 -0.12 0.00 0.00 0.00 0.00 34.83 32.75 1ul7 s MET 19 CO 0.31 -0.04 0.68 -0.25 0.00 0.00 0.00 175.02 175.72 1ul7 n ASP 20 N -0.70 -0.26 0.08 1.11 8.00 -1.26 -4.77 116.55 118.75 1ul7 n ASP 20 Ca 0.07 0.94 -0.03 0.00 0.71 0.00 0.00 54.79 56.47 1ul7 n ASP 20 Cb 0.54 -1.19 0.19 0.00 -0.02 0.00 0.00 41.12 40.64 1ul7 n ASP 20 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ul7 h PRO 21 N 0.96 0.26 -0.14 -0.24 0.13 -1.98 -2.91 132.00 128.08 1ul7 h PRO 21 Ca -0.42 -0.14 0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1ul7 h PRO 21 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1ul7 h PRO 21 CO 0.53 0.67 0.21 1.03 -0.23 0.00 0.00 178.00 180.21 1ul7 h SER 22 N 0.21 0.00 0.43 1.44 0.87 -2.01 0.03 113.55 114.51 1ul7 h SER 22 Ca 0.01 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.27 1ul7 h SER 22 Cb 0.90 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.82 1ul7 h SER 22 CO 0.07 0.00 -1.74 0.44 -0.53 0.00 0.00 176.83 175.07 1ul7 h ASP 23 N 0.00 0.11 0.38 6.23 5.19 -1.88 -3.36 116.42 123.10 1ul7 h ASP 23 Ca 0.07 -0.23 -0.02 0.00 -0.62 0.00 0.00 57.03 56.22 1ul7 h ASP 23 Cb 0.48 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1ul7 h ASP 23 CO -0.00 1.21 -0.18 0.24 -3.12 0.00 0.00 179.24 177.38 1ul7 h MET 24 N 0.02 -0.50 -1.25 3.56 2.86 -0.98 -0.95 114.93 117.68 1ul7 h MET 24 Ca -0.30 0.03 0.45 0.00 -2.06 0.00 0.00 59.70 57.82 1ul7 h MET 24 Cb 2.01 0.11 -0.15 0.00 0.06 0.00 0.00 31.60 33.63 1ul7 h MET 24 CO 0.09 -0.33 0.77 0.52 1.06 0.00 0.00 176.91 179.02 1ul7 h MET 25 N -0.66 0.02 0.24 1.72 2.86 -1.59 0.29 114.93 117.82 1ul7 h MET 25 Ca -0.05 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1ul7 h MET 25 Cb 0.40 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1ul7 h MET 25 CO 0.09 0.01 -0.12 -0.09 1.06 0.00 0.00 176.91 177.86 1ul7 h ARG 26 N 0.02 -0.31 -0.36 1.72 2.43 -1.68 -3.08 114.38 113.12 1ul7 h ARG 26 Ca 0.87 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 60.13 1ul7 h ARG 26 Cb 2.62 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 32.17 1ul7 h ARG 26 CO -0.56 0.03 -0.04 1.49 -1.51 0.00 0.00 179.97 179.37 1ul7 h GLU 27 N -0.94 0.05 -0.75 0.20 4.22 0.80 -1.01 114.58 117.14 1ul7 h GLU 27 Ca -0.03 -0.00 0.17 0.00 0.08 0.00 0.00 59.36 59.57 1ul7 h GLU 27 Cb 0.48 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.61 1ul7 h GLU 27 CO 0.05 0.03 0.18 0.82 -2.18 0.00 0.00 179.01 177.91 1ul7 h ILE 28 N 0.05 0.49 -0.14 2.32 2.04 -0.69 0.29 117.51 121.86 1ul7 h ILE 28 Ca 0.18 -0.09 -0.10 0.00 1.00 0.00 0.00 64.86 65.85 1ul7 h ILE 28 Cb 0.26 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1ul7 h ILE 28 CO -0.33 0.05 -0.37 0.03 0.00 0.00 0.00 178.15 177.53 1ul7 h ARG 29 N 0.26 0.29 -0.01 2.37 3.08 -1.21 -2.42 114.38 116.73 1ul7 h ARG 29 Ca 0.43 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 1ul7 h ARG 29 Cb 0.75 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1ul7 h ARG 29 CO -0.53 0.62 0.00 -0.22 -1.07 0.00 0.00 179.97 178.77 1ul7 h LYS 30 N 0.24 0.01 -0.77 0.04 3.64 0.73 -3.00 116.57 117.47 1ul7 h LYS 30 Ca 0.03 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1ul7 h LYS 30 Cb 0.77 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1ul7 h LYS 30 CO 0.06 0.28 0.45 0.28 -2.27 0.00 0.00 179.45 178.25 1ul7 h VAL 31 N -0.25 1.22 -0.61 2.00 2.07 -0.99 -2.76 116.25 116.93 1ul7 h VAL 31 Ca 0.00 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.15 1ul7 h VAL 31 Cb 0.27 0.17 -0.10 0.00 -1.52 0.00 0.00 31.29 30.10 1ul7 h VAL 31 CO 0.00 0.23 0.03 -0.07 0.02 0.00 0.00 177.57 177.79 1ul7 h LEU 32 N 1.05 -0.20 -1.77 2.57 3.38 -1.37 0.16 115.31 119.12 1ul7 h LEU 32 Ca 0.27 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.44 1ul7 h LEU 32 Cb -0.02 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ul7 h LEU 32 CO -0.05 -0.09 0.25 1.23 0.09 0.00 0.00 178.44 179.88 1ul7 h GLY 33 N 0.15 0.34 1.59 0.83 0.00 -1.35 -0.80 103.07 103.82 1ul7 h GLY 33 Ca 0.32 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 1ul7 h GLY 33 CO -0.50 0.09 -0.25 0.00 0.00 0.00 0.00 176.54 175.88 1ul7 h ALA 34 N 1.80 1.10 -0.94 3.60 0.00 -0.67 -2.88 119.26 121.27 1ul7 h ALA 34 Ca 0.16 -0.34 -0.60 0.00 0.00 0.00 0.00 54.91 54.13 1ul7 h ALA 34 Cb 0.29 -0.12 -0.28 0.00 0.00 0.00 0.00 17.79 17.68 1ul7 h ALA 34 CO -0.03 0.56 0.78 0.09 0.00 0.00 0.00 179.25 180.64 1ul7 n ASN 35 N -4.12 6.63 -3.82 0.00 3.02 -0.48 -4.90 115.26 111.59 1ul7 n ASN 35 Ca -0.00 -3.66 -0.22 0.00 -0.03 0.00 0.00 54.58 50.66 1ul7 n ASN 35 Cb 0.40 -0.95 -0.07 0.00 -0.61 0.00 0.00 39.78 38.55 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 -0.85 0.65 -4.68 6.41 5.15 -1.09 -4.89 115.26 115.96 1ul7 n ASN 36 Ca 0.59 -0.92 -0.30 0.00 -0.60 0.00 0.00 54.58 53.34 1ul7 n ASN 36 Cb 0.89 -1.15 -0.08 0.00 -0.53 0.00 0.00 39.78 38.91 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ul7 s ASP 38 N -2.35 5.18 0.17 0.00 1.11 -0.59 -4.35 116.67 115.85 1ul7 s ASP 38 Ca 0.26 0.12 0.05 0.00 0.18 0.00 0.00 52.55 53.16 1ul7 s ASP 38 Cb -0.12 -1.47 -0.05 0.00 1.07 0.00 0.00 42.92 42.36 1ul7 s ASP 38 CO 0.18 0.36 -0.11 -0.72 1.18 0.00 0.00 175.17 176.07 1ul7 s TYR 39 N -0.80 1.42 -0.06 4.23 1.13 -1.26 -0.64 117.35 121.37 1ul7 s TYR 39 Ca 0.12 -0.72 -0.21 0.00 -1.41 0.00 0.00 57.07 54.86 1ul7 s TYR 39 Cb -0.11 -0.71 0.04 0.00 -1.10 0.00 0.00 41.96 40.08 1ul7 s TYR 39 CO 0.02 0.15 0.47 -1.21 -2.51 0.00 0.00 175.55 172.48 1ul7 s GLU 40 N -3.73 0.77 -0.76 -3.49 0.41 -1.17 -4.91 118.70 105.83 1ul7 s GLU 40 Ca 0.19 0.15 -0.23 0.00 -0.41 0.00 0.00 54.97 54.68 1ul7 s GLU 40 Cb 0.02 0.36 0.07 0.00 -1.78 0.00 0.00 34.13 32.80 1ul7 s GLU 40 CO 0.03 -0.20 1.10 -1.14 -0.49 0.00 0.00 175.26 174.55 1ul7 s GLN 41 N -0.92 3.27 -0.12 1.61 -0.44 -1.26 -1.41 119.66 120.38 1ul7 s GLN 41 Ca -0.10 -0.95 -0.05 0.00 -2.50 0.00 0.00 55.36 51.76 1ul7 s GLN 41 Cb -0.03 -4.47 -0.02 0.00 -1.64 0.00 0.00 33.01 26.85 1ul7 s GLN 41 CO 0.05 -1.90 -0.11 0.00 0.50 0.00 0.00 175.29 173.83 1ul7 h ARG 42 N 9.52 0.00 -5.40 1.67 2.47 -1.65 -3.49 114.38 117.50 1ul7 h ARG 42 Ca -0.15 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.92 1ul7 h ARG 42 Cb 1.05 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.27 1ul7 h ARG 42 CO 1.21 0.00 -0.44 -1.21 0.56 0.00 0.00 179.97 180.09 1ul7 s GLU 43 N -1.95 2.23 0.00 0.04 2.02 -0.66 -4.98 118.70 115.40 1ul7 s GLU 43 Ca -0.09 -2.31 0.00 0.00 0.02 0.00 0.00 54.97 52.60 1ul7 s GLU 43 Cb 0.01 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.53 1ul7 s GLU 43 CO 0.13 -0.48 0.67 -2.13 0.02 0.00 0.00 175.26 173.47 1ul7 n ARG 44 N -1.46 0.00 -0.69 1.61 3.00 -1.26 -2.39 116.66 115.47 1ul7 n ARG 44 Ca -0.15 0.67 0.01 0.00 -0.00 0.00 0.00 57.85 58.39 1ul7 n ARG 44 Cb 0.66 -1.06 0.20 0.00 0.00 0.00 0.00 32.46 32.27 1ul7 n ARG 44 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1ul7 n PHE 45 N -2.31 0.60 -4.25 -0.14 3.72 -1.26 -4.98 117.46 108.84 1ul7 n PHE 45 Ca 0.00 -1.53 -0.34 0.00 -0.05 0.00 0.00 57.45 55.53 1ul7 n PHE 45 Cb 0.00 -0.38 -0.14 0.00 -0.94 0.00 0.00 39.48 38.02 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 -3.23 2.70 0.31 4.37 2.96 -1.00 -3.46 118.68 121.33 1ul7 s LEU 46 Ca 0.41 -0.41 0.10 0.00 -0.22 0.00 0.00 54.13 54.01 1ul7 s LEU 46 Cb 0.39 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 45.38 1ul7 s LEU 46 CO -0.03 0.05 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.27 1ul7 s LEU 47 N 1.05 2.99 -0.39 -0.68 1.43 0.22 -1.62 118.68 121.68 1ul7 s LEU 47 Ca -0.00 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 1ul7 s LEU 47 Cb -0.15 -1.43 0.11 0.00 0.03 0.00 0.00 46.19 44.75 1ul7 s LEU 47 CO -0.02 -0.13 0.14 0.12 0.23 0.00 0.00 176.35 176.70 1ul7 s PHE 48 N -2.46 3.64 0.58 0.29 5.36 -0.50 -1.48 117.98 123.40 1ul7 s PHE 48 Ca 0.33 -2.78 -0.14 0.00 -0.96 0.00 0.00 56.93 53.38 1ul7 s PHE 48 Cb -0.03 -3.05 -0.05 0.00 -0.34 0.00 0.00 43.02 39.55 1ul7 s PHE 48 CO 0.19 -0.94 1.01 0.00 -1.46 0.00 0.00 175.22 174.02 1ul7 s VAL 50 N -2.90 -0.01 -0.01 0.00 1.01 0.19 -2.69 120.40 115.99 1ul7 s VAL 50 Ca 0.57 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 1ul7 s VAL 50 Cb -0.11 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1ul7 s VAL 50 CO 0.43 0.01 0.05 -2.28 0.00 0.00 0.00 175.10 173.32 1ul7 s HIS 51 N 0.79 0.02 -0.73 5.22 2.46 -1.05 -1.53 115.29 120.47 1ul7 s HIS 51 Ca -0.04 -0.03 0.04 0.00 0.47 0.00 0.00 55.06 55.50 1ul7 s HIS 51 Cb -0.05 -0.03 0.24 0.00 -0.13 0.00 0.00 32.58 32.60 1ul7 s HIS 51 CO -0.06 -0.11 0.80 0.41 -2.47 0.00 0.00 174.74 173.31 1ul7 n GLY 52 N 2.50 4.67 1.60 1.59 0.00 -1.26 -3.08 105.19 111.21 1ul7 n GLY 52 Ca -0.16 -2.72 -0.11 0.00 0.00 0.00 0.00 46.02 43.02 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 1.22 4.02 0.00 1.61 2.03 -1.26 -4.88 116.55 119.29 1ul7 n ASP 53 Ca 0.27 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.82 1ul7 n ASP 53 Cb 0.39 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 -0.06 1.40 3.98 0.27 0.00 -1.26 -5.10 105.19 104.43 1ul7 n GLY 54 Ca 0.26 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1ul7 n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ul7 s HIS 55 N 0.11 2.60 0.16 1.61 3.76 -1.26 -4.92 115.29 117.34 1ul7 s HIS 55 Ca 0.00 -0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 54.52 1ul7 s HIS 55 Cb 0.00 -2.70 0.03 0.00 1.11 0.00 0.00 32.58 31.02 1ul7 s HIS 55 CO 0.00 -0.93 1.60 0.00 -0.85 0.00 0.00 174.74 174.55 1ul7 h ALA 56 N 0.08 -0.27 0.00 -1.40 0.00 -2.00 0.75 119.26 116.42 1ul7 h ALA 56 Ca -0.40 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ul7 h ALA 56 Cb 1.29 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1ul7 h ALA 56 CO 0.49 -0.77 0.00 -0.85 0.00 0.00 0.00 179.25 178.12 1ul7 n GLU 57 N -5.42 0.02 -1.03 0.00 0.28 -1.26 -1.26 120.64 111.97 1ul7 n GLU 57 Ca -0.00 0.36 -0.08 0.00 -0.16 0.00 0.00 57.16 57.27 1ul7 n GLU 57 Cb 0.34 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.87 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ul7 n ASN 58 N -1.41 3.12 -4.67 -1.84 3.02 0.26 -5.01 115.26 108.74 1ul7 n ASN 58 Ca 0.01 -3.81 -0.42 0.00 -0.03 0.00 0.00 54.58 50.33 1ul7 n ASN 58 Cb 0.03 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.58 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 -3.36 4.15 -0.20 3.41 1.98 -0.39 -4.45 118.68 119.82 1ul7 s LEU 59 Ca 0.46 1.34 -0.10 0.00 -2.89 0.00 0.00 54.13 52.94 1ul7 s LEU 59 Cb 0.41 -3.45 -0.05 0.00 0.66 0.00 0.00 46.19 43.76 1ul7 s LEU 59 CO -0.01 -0.54 0.13 -0.69 -1.89 0.00 0.00 176.35 173.35 1ul7 s VAL 60 N 2.65 5.38 -0.04 1.68 1.01 -1.18 -3.82 120.40 126.09 1ul7 s VAL 60 Ca 0.43 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.60 1ul7 s VAL 60 Cb -0.16 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1ul7 s VAL 60 CO 0.10 0.43 -0.04 -1.10 0.00 0.00 0.00 175.10 174.49 1ul7 s GLN 61 N 0.44 0.74 0.07 2.72 -0.21 -1.26 -2.52 119.66 119.65 1ul7 s GLN 61 Ca 0.08 -0.10 -0.10 0.00 0.02 0.00 0.00 55.36 55.26 1ul7 s GLN 61 Cb -0.11 -0.76 0.01 0.00 1.00 0.00 0.00 33.01 33.15 1ul7 s GLN 61 CO -0.01 -0.06 0.22 1.67 -2.12 0.00 0.00 175.29 174.99 1ul7 s TRP 62 N 0.79 0.07 0.32 0.91 -2.14 -1.09 -0.80 118.94 117.00 1ul7 s TRP 62 Ca -0.10 -0.40 0.08 0.00 2.66 0.00 0.00 56.10 58.33 1ul7 s TRP 62 Cb -0.13 -0.01 -0.04 0.00 -3.10 0.00 0.00 33.47 30.20 1ul7 s TRP 62 CO 0.00 -0.53 0.20 -1.21 -2.66 0.00 0.00 176.95 172.75 1ul7 s GLU 63 N -3.40 2.57 -0.01 3.25 2.02 -0.90 -0.05 118.70 122.19 1ul7 s GLU 63 Ca 0.01 -1.38 -0.10 0.00 0.02 0.00 0.00 54.97 53.52 1ul7 s GLU 63 Cb 0.03 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.93 1ul7 s GLU 63 CO -0.09 0.15 0.21 -1.64 0.02 0.00 0.00 175.26 173.92 1ul7 s MET 64 N -3.89 0.54 -0.06 1.61 -1.94 -0.55 -2.75 119.30 112.25 1ul7 s MET 64 Ca 0.38 -0.26 -0.20 0.00 -1.71 0.00 0.00 55.69 53.90 1ul7 s MET 64 Cb -0.05 0.23 0.04 0.00 2.01 0.00 0.00 34.83 37.07 1ul7 s MET 64 CO 0.24 -0.14 0.47 -2.00 -0.01 0.00 0.00 175.02 173.58 1ul7 s GLU 65 N -1.24 0.77 -0.48 2.03 2.12 -1.24 -0.61 118.70 120.06 1ul7 s GLU 65 Ca -0.13 0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.20 1ul7 s GLU 65 Cb -0.06 0.36 0.09 0.00 0.26 0.00 0.00 34.13 34.78 1ul7 s GLU 65 CO 0.03 -0.21 0.38 0.08 -0.54 0.00 0.00 175.26 175.00 1ul7 s VAL 66 N -0.96 4.86 0.09 3.70 1.01 -1.22 -2.07 120.40 125.81 1ul7 s VAL 66 Ca -0.10 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 60.62 1ul7 s VAL 66 Cb -0.03 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1ul7 s VAL 66 CO 0.05 -0.65 -0.21 0.00 0.00 0.00 0.00 175.10 174.29 1ul7 s LYS 68 N -1.77 3.93 0.34 0.00 3.01 -1.26 -2.08 119.74 121.91 1ul7 s LYS 68 Ca 0.06 1.24 -0.29 0.00 -1.01 0.00 0.00 55.97 55.98 1ul7 s LYS 68 Cb -0.10 -3.87 -0.11 0.00 -1.01 0.00 0.00 37.83 32.74 1ul7 s LYS 68 CO 0.04 -1.10 1.51 -0.51 0.51 0.00 0.00 175.35 175.81 1ul7 s LEU 69 N 4.30 4.33 0.23 3.17 1.02 -0.90 -4.92 118.68 125.92 1ul7 s LEU 69 Ca 0.55 2.99 0.00 0.00 0.02 0.00 0.00 54.13 57.70 1ul7 s LEU 69 Cb -0.16 -3.66 0.25 0.00 0.02 0.00 0.00 46.19 42.64 1ul7 s LEU 69 CO 0.22 -0.87 1.60 1.55 0.02 0.00 0.00 176.35 178.87 1ul7 h PRO 70 N 3.70 0.48 0.00 1.29 0.13 -1.94 -3.35 132.00 132.32 1ul7 h PRO 70 Ca -0.49 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1ul7 h PRO 70 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ul7 h PRO 70 CO 0.70 0.83 0.00 -2.13 -0.23 0.00 0.00 178.00 177.17 1ul7 n ARG 71 N -4.01 0.00 -2.22 0.86 0.00 -1.26 -4.86 116.66 105.17 1ul7 n ARG 71 Ca -0.02 0.49 -0.30 0.00 -0.00 0.00 0.00 57.85 58.01 1ul7 n ARG 71 Cb 0.53 -1.23 -0.00 0.00 0.00 0.00 0.00 32.46 31.75 1ul7 n ARG 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ul7 s LEU 72 N -3.91 3.44 -0.70 6.15 1.43 -1.26 -4.97 118.68 118.85 1ul7 s LEU 72 Ca 0.00 1.31 -0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1ul7 s LEU 72 Cb 0.00 -4.31 0.17 0.00 0.03 0.00 0.00 46.19 42.08 1ul7 s LEU 72 CO 0.00 -0.71 2.46 -1.54 0.23 0.00 0.00 176.35 176.78 1ul7 n SER 73 N -2.30 7.01 -4.08 2.29 3.41 -1.26 -4.39 113.62 114.30 1ul7 n SER 73 Ca 0.05 -3.41 -0.11 0.00 -0.26 0.00 0.00 58.87 55.14 1ul7 n SER 73 Cb 0.54 -1.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.22 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 -2.86 0.73 -0.14 1.04 1.02 -1.26 -4.98 118.68 112.23 1ul7 s LEU 74 Ca 0.55 -1.16 -0.09 0.00 0.02 0.00 0.00 54.13 53.45 1ul7 s LEU 74 Cb 0.36 1.10 -0.04 0.00 0.02 0.00 0.00 46.19 47.63 1ul7 s LEU 74 CO -0.26 -1.00 0.17 0.20 0.02 0.00 0.00 176.35 175.48 1ul7 s ASN 75 N -3.09 6.36 0.00 2.29 -0.87 -0.36 -2.12 114.94 117.15 1ul7 s ASN 75 Ca 0.31 0.43 0.00 0.00 -1.57 0.00 0.00 52.86 52.02 1ul7 s ASN 75 Cb 0.03 -2.10 0.00 0.00 -0.02 0.00 0.00 41.25 39.16 1ul7 s ASN 75 CO 0.11 0.31 0.00 0.61 -2.57 0.00 0.00 177.10 175.55 1ul7 n GLY 76 N 2.58 6.05 2.81 0.66 0.00 -0.89 -1.91 105.19 114.49 1ul7 n GLY 76 Ca -0.18 -1.92 -0.24 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.18 0.55 -0.42 1.61 1.01 -1.26 -3.03 120.40 118.68 1ul7 s VAL 77 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 1ul7 s VAL 77 Cb 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1ul7 s VAL 77 CO 0.00 0.29 0.78 0.00 0.00 0.00 0.00 175.10 176.17 1ul7 s ARG 78 N 1.89 3.54 -0.65 2.72 1.70 -0.88 -4.91 118.95 122.36 1ul7 s ARG 78 Ca 0.05 0.04 -0.21 0.00 -0.47 0.00 0.00 55.73 55.14 1ul7 s ARG 78 Cb -0.12 -3.89 0.09 0.00 -0.57 0.00 0.00 34.95 30.45 1ul7 s ARG 78 CO -0.06 -1.02 0.87 -0.06 -1.08 0.00 0.00 175.30 173.96 1ul7 s PHE 79 N 3.21 2.82 -0.23 5.89 0.40 -1.26 -3.61 117.98 125.20 1ul7 s PHE 79 Ca 0.30 -0.75 -0.14 0.00 -0.60 0.00 0.00 56.93 55.74 1ul7 s PHE 79 Cb -0.12 -4.19 -0.04 0.00 0.51 0.00 0.00 43.02 39.18 1ul7 s PHE 79 CO 0.21 -1.51 0.32 0.21 0.70 0.00 0.00 175.22 175.14 1ul7 s LYS 80 N 3.47 4.10 -0.09 0.44 2.36 -1.11 -4.98 119.74 123.93 1ul7 s LYS 80 Ca 0.19 0.01 -0.30 0.00 -2.55 0.00 0.00 55.97 53.32 1ul7 s LYS 80 Cb -0.19 -3.57 -0.02 0.00 -1.05 0.00 0.00 37.83 33.01 1ul7 s LYS 80 CO 0.08 -0.06 1.02 0.50 1.55 0.00 0.00 175.35 178.43 1ul7 s ARG 81 N 1.41 4.43 -0.05 4.03 3.00 -1.26 -2.12 118.95 128.39 1ul7 s ARG 81 Ca 0.14 1.42 -0.06 0.00 -1.00 0.00 0.00 55.73 56.23 1ul7 s ARG 81 Cb -0.15 -3.53 -0.02 0.00 0.00 0.00 0.00 34.95 31.25 1ul7 s ARG 81 CO 0.07 -0.30 -0.12 -0.89 0.00 0.00 0.00 175.30 174.06 1ul7 n ILE 82 N 4.49 0.69 -4.48 4.11 -0.00 -1.02 -4.97 119.36 118.18 1ul7 n ILE 82 Ca 0.09 0.29 -0.27 0.00 -0.00 0.00 0.00 62.75 62.85 1ul7 n ILE 82 Cb 0.49 -1.74 -0.05 0.00 -0.00 0.00 0.00 39.64 38.34 1ul7 n ILE 82 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1ul7 n SER 83 N -3.32 3.09 -1.13 4.38 7.64 0.02 -5.00 113.62 119.30 1ul7 n SER 83 Ca -0.05 -2.90 0.00 0.00 1.01 0.00 0.00 58.87 56.93 1ul7 n SER 83 Cb 0.18 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.45 -4.19 3.42 0.23 0.00 -1.25 -3.99 105.19 98.95 1ul7 n GLY 84 Ca -0.15 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 -4.55 114.28 116.08 1ul7 n THR 85 Ca 0.00 -0.30 -0.12 0.00 -3.05 0.00 0.00 64.05 60.59 1ul7 n THR 85 Cb 0.00 -0.80 -0.05 0.00 -1.55 0.00 0.00 70.33 67.93 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 -2.19 -0.55 -0.05 1.09 4.64 -1.99 0.63 113.55 115.13 1ul7 h SER 86 Ca -0.54 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 60.88 1ul7 h SER 86 Cb 1.33 0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 63.59 1ul7 h SER 86 CO 0.42 -0.27 -0.41 0.40 -0.87 0.00 0.00 176.83 176.10 1ul7 h ILE 87 N -0.34 0.00 -0.53 0.95 2.04 -1.99 -0.05 117.51 117.59 1ul7 h ILE 87 Ca 0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 1ul7 h ILE 87 Cb 0.39 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 1ul7 h ILE 87 CO -0.15 0.00 0.10 0.00 0.00 0.00 0.00 178.15 178.10 1ul7 h ALA 88 N -0.64 0.59 -0.13 1.87 0.00 -1.88 -1.52 119.26 117.55 1ul7 h ALA 88 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ul7 h ALA 88 Cb 0.53 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ul7 h ALA 88 CO -0.30 -0.31 0.00 0.34 0.00 0.00 0.00 179.25 178.98 1ul7 n PHE 89 N -5.13 0.00 -0.42 0.00 7.35 0.20 -1.55 117.46 117.91 1ul7 n PHE 89 Ca 0.06 0.00 0.38 0.00 -0.76 0.00 0.00 57.45 57.13 1ul7 n PHE 89 Cb 0.27 -0.48 0.73 0.00 0.35 0.00 0.00 39.48 40.35 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 0.06 0.64 -4.13 3.64 -0.92 0.02 116.57 115.87 1ul7 h LYS 90 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1ul7 h LYS 90 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ul7 h LYS 90 CO 0.00 0.04 -0.48 -0.97 -2.27 0.00 0.00 179.45 175.77 1ul7 h ASN 91 N 0.06 -1.26 0.40 4.20 -0.73 -0.22 -0.02 115.58 118.01 1ul7 h ASN 91 Ca 0.68 0.08 -0.09 0.00 1.87 0.00 0.00 56.30 58.85 1ul7 h ASN 91 Cb 2.55 0.39 -0.01 0.00 0.27 0.00 0.00 38.32 41.52 1ul7 h ASN 91 CO -0.09 -0.69 -0.42 -0.29 -0.37 0.00 0.00 177.43 175.57 1ul7 h ILE 92 N -1.08 1.31 0.00 2.57 6.09 -0.69 -2.66 117.51 123.05 1ul7 h ILE 92 Ca -0.08 -1.46 -0.04 0.00 -1.37 0.00 0.00 64.86 61.90 1ul7 h ILE 92 Cb 0.89 1.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.95 1ul7 h ILE 92 CO 0.03 0.42 -0.21 0.00 -3.07 0.00 0.00 178.15 175.31 1ul7 h ALA 93 N 1.56 1.43 0.00 0.18 0.00 -0.79 -2.23 119.26 119.41 1ul7 h ALA 93 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1ul7 h ALA 93 Cb 0.76 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1ul7 h ALA 93 CO 0.06 0.27 -0.50 1.03 0.00 0.00 0.00 179.25 180.10 1ul7 h SER 94 N 0.00 0.00 0.20 0.00 0.87 -0.62 -1.79 113.55 112.20 1ul7 h SER 94 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 1ul7 h SER 94 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1ul7 h SER 94 CO 0.03 0.50 -0.39 0.11 -0.53 0.00 0.00 176.83 176.55 1ul7 h LYS 95 N 0.00 0.26 0.03 2.24 1.79 -1.45 -2.80 116.57 116.64 1ul7 h LYS 95 Ca -0.01 -0.12 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 1ul7 h LYS 95 Cb 0.96 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1ul7 h LYS 95 CO 0.07 0.61 -0.52 0.82 -1.08 0.00 0.00 179.45 179.34 1ul7 h ILE 96 N 0.22 1.50 -0.99 1.86 1.08 -1.51 -2.22 117.51 117.45 1ul7 h ILE 96 Ca 0.02 -2.35 0.23 0.00 -0.39 0.00 0.00 64.86 62.37 1ul7 h ILE 96 Cb 0.78 3.07 -0.12 0.00 -3.07 0.00 0.00 36.82 37.48 1ul7 h ILE 96 CO 0.06 0.58 0.57 0.00 -0.69 0.00 0.00 178.15 178.67 1ul7 h ALA 97 N -0.09 1.71 0.00 1.87 0.00 -1.36 0.24 119.26 121.63 1ul7 h ALA 97 Ca -0.12 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ul7 h ALA 97 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ul7 h ALA 97 CO -0.01 -0.22 -0.04 -0.97 0.00 0.00 0.00 179.25 178.02 1ul7 h ASN 98 N 0.61 0.00 -0.99 0.00 -0.00 -1.62 -3.37 115.58 110.21 1ul7 h ASN 98 Ca 0.62 0.00 0.21 0.00 -0.00 0.00 0.00 56.30 57.12 1ul7 h ASN 98 Cb 1.11 0.00 -0.19 0.00 -0.00 0.00 0.00 38.32 39.24 1ul7 h ASN 98 CO -0.45 0.20 -0.22 -0.33 -0.00 0.00 0.00 177.43 176.63 1ul7 h GLU 99 N -0.36 0.00 -4.62 6.67 4.39 -1.31 -3.40 114.58 115.95 1ul7 h GLU 99 Ca 0.00 -0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.14 1ul7 h GLU 99 Cb 0.04 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1ul7 h GLU 99 CO 0.00 0.00 1.15 1.28 -1.16 0.00 0.00 179.01 180.28 1ul7 n LEU 100 N -5.61 0.51 -2.44 1.33 4.77 0.83 -4.71 117.00 111.68 1ul7 n LEU 100 Ca 0.17 0.44 -0.18 0.00 -0.03 0.00 0.00 56.01 56.41 1ul7 n LEU 100 Cb 0.52 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 1ul7 n LEU 100 CO -0.11 -0.61 1.97 0.29 -1.33 0.00 0.00 177.39 177.60 1ul7 n LYS 101 N 6.25 2.18 0.00 3.23 4.76 -1.26 -5.00 118.16 128.32 1ul7 n LYS 101 Ca 0.47 -1.21 0.00 0.00 -2.87 0.00 0.00 58.31 54.70 1ul7 n LYS 101 Cb -0.02 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.00 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31