#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 4.97 -0.29 1.61 0.15 -1.26 -5.14 113.70 113.75 1ul7 s SER 2 Ca 0.00 -0.66 -0.20 0.00 0.70 0.00 0.00 55.95 55.79 1ul7 s SER 2 Cb 0.00 -0.81 0.13 0.00 -1.71 0.00 0.00 66.02 63.63 1ul7 s SER 2 CO 0.00 -0.36 0.96 -0.55 1.20 0.00 0.00 173.24 174.48 1ul7 s SER 3 N -3.94 -0.54 -0.99 5.45 0.15 -1.26 -5.09 113.70 107.49 1ul7 s SER 3 Ca 0.40 0.93 -0.24 0.00 0.70 0.00 0.00 55.95 57.74 1ul7 s SER 3 Cb -0.04 1.11 -0.06 0.00 -1.71 0.00 0.00 66.02 65.32 1ul7 s SER 3 CO 0.25 -0.15 1.95 -0.83 1.20 0.00 0.00 173.24 175.66 1ul7 s GLY 4 N 0.94 0.16 -0.43 9.45 0.00 -1.26 -4.89 107.32 111.28 1ul7 s GLY 4 Ca -0.04 -1.70 -0.44 0.00 0.00 0.00 0.00 44.72 42.53 1ul7 s GLY 4 CO -0.12 3.52 1.73 -1.26 0.00 0.00 0.00 173.10 176.98 1ul7 n SER 5 N 14.19 1.53 0.05 1.64 2.88 -1.26 -4.81 113.62 127.83 1ul7 n SER 5 Ca 0.42 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 59.02 1ul7 n SER 5 Cb 0.47 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1ul7 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ul7 n SER 6 N 5.08 0.82 0.00 -3.46 2.88 -1.26 -5.13 113.62 112.54 1ul7 n SER 6 Ca 0.33 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1ul7 n SER 6 Cb 0.01 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1ul7 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ul7 n GLY 7 N 3.24 3.85 3.81 0.46 0.00 -1.26 -5.19 105.19 110.09 1ul7 n GLY 7 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 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 3.56 1.51 -0.26 1.61 3.03 -1.26 -5.07 118.95 122.08 1ul7 s ARG 8 Ca 0.00 -0.83 0.13 0.00 2.03 0.00 0.00 55.73 57.06 1ul7 s ARG 8 Cb 0.00 0.52 0.47 0.00 -1.03 0.00 0.00 34.95 34.91 1ul7 s ARG 8 CO 0.00 -0.69 1.17 1.19 -1.13 0.00 0.00 175.30 175.84 1ul7 n PHE 9 N -0.46 1.96 -1.43 5.89 3.72 -1.26 -5.09 117.46 120.78 1ul7 n PHE 9 Ca -0.05 -2.07 -0.43 0.00 -0.05 0.00 0.00 57.45 54.86 1ul7 n PHE 9 Cb 0.60 -0.29 -0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1ul7 n PHE 9 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1ul7 n THR 10 N -0.66 1.61 -2.59 4.37 5.66 -1.26 -4.81 114.28 116.61 1ul7 n THR 10 Ca 0.29 -0.50 -0.41 0.00 -3.05 0.00 0.00 64.05 60.38 1ul7 n THR 10 Cb 0.90 -0.42 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 1ul7 n THR 10 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 1ul7 s TRP 11 N -1.42 2.60 0.29 1.09 -0.00 -1.26 -4.93 118.94 115.30 1ul7 s TRP 11 Ca 0.62 -0.97 0.03 0.00 -0.00 0.00 0.00 56.10 55.79 1ul7 s TRP 11 Cb -0.65 -4.68 -0.01 0.00 -0.00 0.00 0.00 33.47 28.13 1ul7 s TRP 11 CO 0.59 -1.89 0.11 -1.13 -0.00 0.00 0.00 176.95 174.62 1ul7 n SER 12 N 8.67 1.09 -3.87 5.86 3.41 -1.26 -5.16 113.62 122.36 1ul7 n SER 12 Ca 0.34 -2.55 -0.09 0.00 -0.26 0.00 0.00 58.87 56.31 1ul7 n SER 12 Cb 0.50 0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 65.13 1ul7 n SER 12 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1ul7 s MET 13 N -3.10 0.78 -0.16 4.33 1.75 -1.26 -4.92 119.30 116.71 1ul7 s MET 13 Ca 0.15 -0.88 -0.16 0.00 -1.25 0.00 0.00 55.69 53.55 1ul7 s MET 13 Cb 0.01 0.32 -0.06 0.00 2.84 0.00 0.00 34.83 37.94 1ul7 s MET 13 CO 0.11 -0.24 -0.32 1.17 -0.65 0.00 0.00 175.02 175.09 1ul7 n LYS 14 N 0.18 0.49 -1.67 4.11 4.81 -1.26 -4.98 118.16 119.84 1ul7 n LYS 14 Ca -0.16 0.19 -0.45 0.00 -0.87 0.00 0.00 58.31 57.02 1ul7 n LYS 14 Cb 0.61 -1.35 -0.03 0.00 0.02 0.00 0.00 35.03 34.29 1ul7 n LYS 14 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1ul7 n THR 15 N -4.36 0.91 -4.31 3.15 -1.04 -1.26 -5.00 114.28 102.37 1ul7 n THR 15 Ca -0.15 -0.23 -0.16 0.00 -2.04 0.00 0.00 64.05 61.47 1ul7 n THR 15 Cb 0.49 -1.46 -0.10 0.00 -1.82 0.00 0.00 70.33 67.44 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 -0.02 0.93 -0.29 12.58 -4.23 -1.26 -4.33 115.64 119.02 1ul7 s THR 16 Ca 0.69 -2.02 -0.14 0.00 -1.18 0.00 0.00 61.69 59.03 1ul7 s THR 16 Cb -0.66 -2.32 0.10 0.00 1.34 0.00 0.00 72.50 70.97 1ul7 s THR 16 CO 0.49 -0.33 0.72 -0.94 -0.54 0.00 0.00 174.62 174.02 1ul7 s SER 17 N -3.28 -0.95 -0.10 3.99 1.04 -1.14 -4.97 113.70 108.29 1ul7 s SER 17 Ca 0.28 1.44 0.01 0.00 0.48 0.00 0.00 55.95 58.16 1ul7 s SER 17 Cb 0.06 1.64 0.18 0.00 0.10 0.00 0.00 66.02 67.99 1ul7 s SER 17 CO 0.08 -0.22 1.16 -1.54 0.98 0.00 0.00 173.24 173.70 1ul7 n SER 18 N 4.60 3.02 -4.71 7.02 3.41 -1.26 0.50 113.62 126.20 1ul7 n SER 18 Ca -0.17 -2.38 -0.35 0.00 -0.26 0.00 0.00 58.87 55.71 1ul7 n SER 18 Cb 0.56 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 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 -0.94 4.16 0.87 4.33 -1.94 -1.26 -4.84 119.30 119.67 1ul7 s MET 19 Ca 0.14 -0.24 -0.16 0.00 -1.71 0.00 0.00 55.69 53.73 1ul7 s MET 19 Cb 0.12 -3.42 -0.08 0.00 2.01 0.00 0.00 34.83 33.46 1ul7 s MET 19 CO 0.03 0.27 -0.15 -0.25 -0.01 0.00 0.00 175.02 174.90 1ul7 n ASP 20 N 3.62 -3.80 -0.10 3.03 8.00 -1.26 -4.57 116.55 121.46 1ul7 n ASP 20 Ca -0.16 0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 1ul7 n ASP 20 Cb 0.52 -0.97 -0.01 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 -0.90 0.90 -0.49 -0.24 0.13 -1.97 -1.56 132.00 127.86 1ul7 h PRO 21 Ca -0.44 -0.47 0.09 0.00 -0.87 0.00 0.00 66.00 64.31 1ul7 h PRO 21 Cb 1.32 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 1ul7 h PRO 21 CO 0.32 1.12 0.03 0.77 -0.23 0.00 0.00 178.00 180.02 1ul7 h SER 22 N 0.73 -0.14 0.13 1.44 0.02 -2.00 -1.46 113.55 112.26 1ul7 h SER 22 Ca 0.06 0.11 -0.26 0.00 -0.84 0.00 0.00 61.79 60.86 1ul7 h SER 22 Cb 0.98 0.18 0.02 0.00 0.14 0.00 0.00 62.40 63.71 1ul7 h SER 22 CO 0.09 -0.04 -1.02 0.44 -1.14 0.00 0.00 176.83 175.16 1ul7 h ASP 23 N 0.15 0.78 -0.62 3.07 5.19 -1.91 -3.29 116.42 119.79 1ul7 h ASP 23 Ca 0.25 -0.63 0.13 0.00 -0.62 0.00 0.00 57.03 56.15 1ul7 h ASP 23 Cb 0.36 -0.24 -0.10 0.00 0.18 0.00 0.00 39.33 39.53 1ul7 h ASP 23 CO -0.38 1.44 -0.01 0.24 -3.12 0.00 0.00 179.24 177.41 1ul7 h MET 24 N 0.33 0.11 -0.99 3.56 2.86 -0.57 0.12 114.93 120.34 1ul7 h MET 24 Ca -0.12 -0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.66 1ul7 h MET 24 Cb 1.67 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 33.22 1ul7 h MET 24 CO 0.19 0.07 0.61 0.52 1.06 0.00 0.00 176.91 179.36 1ul7 h MET 25 N 0.11 0.86 -0.04 1.72 2.86 -1.36 0.10 114.93 119.18 1ul7 h MET 25 Ca 0.32 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1ul7 h MET 25 Cb 0.52 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1ul7 h MET 25 CO -0.53 0.57 0.01 0.00 1.06 0.00 0.00 176.91 178.01 1ul7 h ARG 26 N 0.89 0.06 0.60 1.72 -0.00 -0.92 -3.08 114.38 113.65 1ul7 h ARG 26 Ca 0.52 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.96 1ul7 h ARG 26 Cb 0.64 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 30.60 1ul7 h ARG 26 CO -0.31 0.31 -0.37 1.49 0.00 0.00 0.00 179.97 181.09 1ul7 h GLU 27 N -0.19 -0.89 -0.24 0.04 4.57 -0.47 -2.04 114.58 115.37 1ul7 h GLU 27 Ca 0.01 0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 1ul7 h GLU 27 Cb 0.28 0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 1ul7 h GLU 27 CO 0.00 -0.59 -0.14 -0.89 -1.18 0.00 0.00 179.01 176.21 1ul7 n ILE 28 N -5.51 -0.16 -0.14 2.32 5.41 -0.06 -0.59 119.36 120.63 1ul7 n ILE 28 Ca -0.13 1.55 -0.05 0.00 1.00 0.00 0.00 62.75 65.13 1ul7 n ILE 28 Cb 0.40 -2.02 0.02 0.00 -0.71 0.00 0.00 39.64 37.33 1ul7 n ILE 28 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1ul7 h ARG 29 N 0.00 -0.09 -1.36 0.38 3.08 -1.54 0.13 114.38 114.98 1ul7 h ARG 29 Ca 0.04 0.01 0.43 0.00 0.07 0.00 0.00 59.98 60.52 1ul7 h ARG 29 Cb 0.10 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.06 1ul7 h ARG 29 CO -0.22 -0.06 0.91 -0.22 -1.07 0.00 0.00 179.97 179.30 1ul7 h LYS 30 N -0.09 0.10 0.06 0.04 3.64 -0.08 0.27 116.57 120.51 1ul7 h LYS 30 Ca 0.22 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1ul7 h LYS 30 Cb 0.42 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1ul7 h LYS 30 CO -0.51 0.06 -0.50 0.28 -2.27 0.00 0.00 179.45 176.51 1ul7 h VAL 31 N 0.10 1.58 0.18 2.00 2.07 0.14 -3.34 116.25 118.98 1ul7 h VAL 31 Ca 0.79 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 1ul7 h VAL 31 Cb 2.59 3.20 -0.02 0.00 -1.52 0.00 0.00 31.29 35.54 1ul7 h VAL 31 CO -0.32 0.64 -0.29 -0.07 0.02 0.00 0.00 177.57 177.55 1ul7 h LEU 32 N -0.70 -0.83 -0.85 2.57 3.38 0.38 -2.01 115.31 117.24 1ul7 h LEU 32 Ca -0.10 0.08 0.33 0.00 0.09 0.00 0.00 57.88 58.28 1ul7 h LEU 32 Cb 1.33 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 42.21 1ul7 h LEU 32 CO 0.05 -0.34 0.37 0.61 0.09 0.00 0.00 178.44 179.22 1ul7 n GLY 33 N -1.29 -0.74 0.29 0.83 0.00 -0.24 0.23 105.19 104.26 1ul7 n GLY 33 Ca -0.06 0.72 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 1ul7 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ul7 h ALA 34 N 1.70 0.82 -0.19 4.61 0.00 -1.50 -2.94 119.26 121.76 1ul7 h ALA 34 Ca 0.68 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1ul7 h ALA 34 Cb 1.75 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 1ul7 h ALA 34 CO -0.68 0.66 0.16 0.09 0.00 0.00 0.00 179.25 179.47 1ul7 n ASN 35 N -4.15 5.32 -2.07 0.00 3.02 0.62 -4.77 115.26 113.22 1ul7 n ASN 35 Ca 0.02 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.97 1ul7 n ASN 35 Cb 0.39 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 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 0.90 -0.76 -4.87 6.41 3.02 -1.11 -4.84 115.26 114.00 1ul7 n ASN 36 Ca 0.12 0.38 -0.35 0.00 -0.03 0.00 0.00 54.58 54.70 1ul7 n ASN 36 Cb 0.56 -0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 38.86 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 -1.76 6.39 0.01 0.00 1.11 -0.78 -3.99 116.67 117.65 1ul7 s ASP 38 Ca 0.33 0.46 0.08 0.00 0.18 0.00 0.00 52.55 53.60 1ul7 s ASP 38 Cb -0.14 -2.14 -0.02 0.00 1.07 0.00 0.00 42.92 41.69 1ul7 s ASP 38 CO 0.18 0.19 -0.25 -0.72 1.18 0.00 0.00 175.17 175.76 1ul7 s TYR 39 N 0.07 2.19 -0.01 4.23 -0.85 -1.25 -1.54 117.35 120.18 1ul7 s TYR 39 Ca 0.14 -0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.28 1ul7 s TYR 39 Cb -0.13 -1.37 0.01 0.00 0.38 0.00 0.00 41.96 40.86 1ul7 s TYR 39 CO 0.03 0.02 0.02 -1.21 -1.52 0.00 0.00 175.55 172.89 1ul7 s GLU 40 N -0.84 -0.01 -0.65 -3.49 0.41 -1.22 -4.88 118.70 108.02 1ul7 s GLU 40 Ca 0.10 0.08 -0.26 0.00 -0.41 0.00 0.00 54.97 54.48 1ul7 s GLU 40 Cb -0.10 -0.09 -0.03 0.00 -1.78 0.00 0.00 34.13 32.13 1ul7 s GLU 40 CO 0.00 -0.07 1.93 -1.14 -0.49 0.00 0.00 175.26 175.50 1ul7 s GLN 41 N 0.42 2.55 -0.16 1.61 0.74 -1.26 -1.61 119.66 121.94 1ul7 s GLN 41 Ca -0.03 0.54 -0.22 0.00 0.05 0.00 0.00 55.36 55.69 1ul7 s GLN 41 Cb -0.05 -4.52 -0.19 0.00 1.10 0.00 0.00 33.01 29.35 1ul7 s GLN 41 CO -0.01 -2.92 0.40 0.00 -0.55 0.00 0.00 175.29 172.21 1ul7 h ARG 42 N 14.77 0.00 0.00 1.67 2.47 -1.81 -3.49 114.38 127.99 1ul7 h ARG 42 Ca -0.20 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.21 1ul7 h ARG 42 Cb 1.14 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.40 1ul7 h ARG 42 CO 1.21 0.82 -0.25 0.39 0.56 0.00 0.00 179.97 182.70 1ul7 n GLU 43 N -4.56 0.91 -0.25 0.04 -0.58 -1.23 -4.96 120.64 110.01 1ul7 n GLU 43 Ca -0.17 -1.86 0.06 0.00 -0.42 0.00 0.00 57.16 54.76 1ul7 n GLU 43 Cb 0.50 0.87 0.19 0.00 -0.57 0.00 0.00 31.44 32.42 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 0.26 -0.69 3.49 2.43 -2.02 -3.00 114.38 114.85 1ul7 h ARG 44 Ca -0.18 -0.02 -0.35 0.00 -0.81 0.00 0.00 59.98 58.62 1ul7 h ARG 44 Cb 0.65 -0.06 -0.41 0.00 -0.42 0.00 0.00 29.97 29.73 1ul7 h ARG 44 CO 0.29 0.17 -1.05 1.19 -1.51 0.00 0.00 179.97 179.07 1ul7 n PHE 45 N -5.16 1.69 -4.26 2.20 3.72 -1.26 -5.08 117.46 109.32 1ul7 n PHE 45 Ca 0.14 -2.36 -0.20 0.00 -0.05 0.00 0.00 57.45 54.99 1ul7 n PHE 45 Cb 0.47 -0.27 -0.11 0.00 -0.94 0.00 0.00 39.48 38.62 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 -3.61 2.38 0.02 4.37 2.96 -1.14 -2.17 118.68 121.50 1ul7 s LEU 46 Ca 0.33 -0.79 -0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1ul7 s LEU 46 Cb 0.37 -0.65 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 1ul7 s LEU 46 CO -0.02 -0.09 0.04 -0.76 -1.32 0.00 0.00 176.35 174.20 1ul7 s LEU 47 N -2.35 1.98 -0.48 -0.68 1.43 -1.02 -2.34 118.68 115.23 1ul7 s LEU 47 Ca 0.09 -0.45 -0.10 0.00 -1.03 0.00 0.00 54.13 52.64 1ul7 s LEU 47 Cb -0.06 0.36 0.12 0.00 0.03 0.00 0.00 46.19 46.63 1ul7 s LEU 47 CO 0.04 -0.37 0.36 0.12 0.23 0.00 0.00 176.35 176.73 1ul7 s PHE 48 N -1.77 3.40 0.05 0.29 5.36 -0.64 -1.68 117.98 122.98 1ul7 s PHE 48 Ca -0.12 -1.77 -0.30 0.00 -0.96 0.00 0.00 56.93 53.78 1ul7 s PHE 48 Cb -0.07 -3.51 -0.04 0.00 -0.34 0.00 0.00 43.02 39.06 1ul7 s PHE 48 CO -0.01 -0.99 0.95 0.00 -1.46 0.00 0.00 175.22 173.71 1ul7 s VAL 50 N 0.54 0.66 0.12 0.00 1.01 -0.59 -2.36 120.40 119.77 1ul7 s VAL 50 Ca 0.49 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1ul7 s VAL 50 Cb -0.22 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1ul7 s VAL 50 CO 0.28 0.16 -0.10 -2.28 0.00 0.00 0.00 175.10 173.17 1ul7 s HIS 51 N 1.84 1.14 -0.17 5.22 2.46 -1.11 -1.87 115.29 122.79 1ul7 s HIS 51 Ca 0.03 -0.74 -0.11 0.00 0.47 0.00 0.00 55.06 54.72 1ul7 s HIS 51 Cb -0.14 -0.60 -0.07 0.00 -0.13 0.00 0.00 32.58 31.64 1ul7 s HIS 51 CO -0.07 0.02 -0.25 0.41 -2.47 0.00 0.00 174.74 172.38 1ul7 n GLY 52 N 0.13 -0.34 2.72 1.59 0.00 -1.26 -2.08 105.19 105.95 1ul7 n GLY 52 Ca -0.13 -0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.97 -1.07 0.00 1.61 2.03 -1.26 -4.40 116.55 109.48 1ul7 n ASP 53 Ca -0.31 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.21 1ul7 n ASP 53 Cb 0.66 -1.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 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 -0.56 -0.70 3.97 0.27 0.00 -1.26 -5.11 105.19 101.79 1ul7 n GLY 54 Ca 0.02 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.46 3.35 0.17 1.61 3.76 -1.26 -4.97 115.29 115.49 1ul7 s HIS 55 Ca 0.00 0.05 -0.18 0.00 -0.15 0.00 0.00 55.06 54.77 1ul7 s HIS 55 Cb 0.00 -1.84 0.10 0.00 1.11 0.00 0.00 32.58 31.95 1ul7 s HIS 55 CO 0.00 0.16 1.64 0.00 -0.85 0.00 0.00 174.74 175.69 1ul7 h ALA 56 N 0.91 0.14 0.00 -1.40 0.00 -2.00 0.50 119.26 117.40 1ul7 h ALA 56 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ul7 h ALA 56 Cb 1.24 0.43 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1ul7 h ALA 56 CO 0.59 -0.54 0.07 -1.91 0.00 0.00 0.00 179.25 177.46 1ul7 n GLU 57 N -5.36 0.10 -0.98 0.00 2.13 -1.26 -0.50 120.64 114.77 1ul7 n GLU 57 Ca 0.02 0.59 -0.12 0.00 0.66 0.00 0.00 57.16 58.31 1ul7 n GLU 57 Cb 0.27 -1.91 0.19 0.00 0.27 0.00 0.00 31.44 30.26 1ul7 n GLU 57 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ul7 n ASN 58 N -2.07 3.04 -4.68 4.31 5.03 0.17 -5.00 115.26 116.06 1ul7 n ASN 58 Ca -0.01 -3.70 -0.42 0.00 0.87 0.00 0.00 54.58 51.32 1ul7 n ASN 58 Cb 0.09 -0.72 -0.03 0.00 -1.02 0.00 0.00 39.78 38.10 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 -3.26 4.29 -0.08 3.41 1.98 0.34 -4.70 118.68 120.66 1ul7 s LEU 59 Ca 0.50 2.04 -0.05 0.00 -2.89 0.00 0.00 54.13 53.72 1ul7 s LEU 59 Cb 0.44 -3.55 -0.04 0.00 0.66 0.00 0.00 46.19 43.69 1ul7 s LEU 59 CO 0.05 -0.73 0.15 -0.69 -1.89 0.00 0.00 176.35 173.23 1ul7 s VAL 60 N 2.70 5.43 -0.03 1.68 1.01 -0.88 -4.23 120.40 126.08 1ul7 s VAL 60 Ca 0.63 0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 1ul7 s VAL 60 Cb -0.30 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1ul7 s VAL 60 CO 0.25 0.52 0.03 -1.10 0.00 0.00 0.00 175.10 174.80 1ul7 s GLN 61 N -1.32 0.04 -0.17 2.72 -0.21 -1.20 -2.76 119.66 116.76 1ul7 s GLN 61 Ca 0.19 0.20 -0.15 0.00 0.02 0.00 0.00 55.36 55.62 1ul7 s GLN 61 Cb -0.12 -0.36 0.04 0.00 1.00 0.00 0.00 33.01 33.57 1ul7 s GLN 61 CO 0.09 -0.20 0.44 1.67 -2.12 0.00 0.00 175.29 175.17 1ul7 s TRP 62 N 1.30 -0.49 0.53 0.91 -2.14 -1.00 -1.54 118.94 116.51 1ul7 s TRP 62 Ca -0.06 1.19 0.01 0.00 2.66 0.00 0.00 56.10 59.90 1ul7 s TRP 62 Cb -0.13 0.17 0.03 0.00 -3.10 0.00 0.00 33.47 30.44 1ul7 s TRP 62 CO -0.03 -0.24 0.75 -1.21 -2.66 0.00 0.00 176.95 173.56 1ul7 s GLU 63 N 0.27 2.65 -0.21 3.25 2.02 -1.14 -1.24 118.70 124.30 1ul7 s GLU 63 Ca -0.00 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.20 1ul7 s GLU 63 Cb -0.03 -2.51 0.11 0.00 0.10 0.00 0.00 34.13 31.79 1ul7 s GLU 63 CO 0.00 -0.62 0.28 -1.64 0.02 0.00 0.00 175.26 173.30 1ul7 s MET 64 N -4.71 0.24 -0.18 1.61 -1.94 -0.68 -3.17 119.30 110.47 1ul7 s MET 64 Ca 0.56 0.36 -0.03 0.00 -1.71 0.00 0.00 55.69 54.86 1ul7 s MET 64 Cb -0.10 -0.87 -0.02 0.00 2.01 0.00 0.00 34.83 35.84 1ul7 s MET 64 CO 0.38 -0.63 -0.05 -2.00 -0.01 0.00 0.00 175.02 172.72 1ul7 s GLU 65 N 2.41 3.51 -0.19 2.03 2.12 -1.25 -2.42 118.70 124.91 1ul7 s GLU 65 Ca 0.09 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 1ul7 s GLU 65 Cb -0.15 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.30 1ul7 s GLU 65 CO -0.13 0.03 1.05 0.08 -0.54 0.00 0.00 175.26 175.75 1ul7 s VAL 66 N 0.90 4.68 -0.00 3.70 1.01 -0.92 -2.38 120.40 127.38 1ul7 s VAL 66 Ca -0.01 2.00 -0.17 0.00 0.00 0.00 0.00 61.98 63.80 1ul7 s VAL 66 Cb -0.15 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.98 1ul7 s VAL 66 CO 0.01 -0.12 0.37 0.00 0.00 0.00 0.00 175.10 175.36 1ul7 s LYS 68 N -1.60 4.72 0.05 0.00 1.02 -1.26 -1.21 119.74 121.46 1ul7 s LYS 68 Ca -0.11 1.64 -0.30 0.00 0.02 0.00 0.00 55.97 57.21 1ul7 s LYS 68 Cb -0.03 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1ul7 s LYS 68 CO 0.03 0.30 1.14 -0.51 -0.92 0.00 0.00 175.35 175.39 1ul7 s LEU 69 N -0.98 4.37 0.00 3.17 1.43 -1.00 -4.84 118.68 120.83 1ul7 s LEU 69 Ca 0.44 1.92 0.15 0.00 -1.03 0.00 0.00 54.13 55.62 1ul7 s LEU 69 Cb -0.28 -3.58 0.73 0.00 0.03 0.00 0.00 46.19 43.09 1ul7 s LEU 69 CO 0.35 -0.41 1.41 -0.81 0.23 0.00 0.00 176.35 177.13 1ul7 n PRO 70 N 3.90 0.18 -0.07 1.29 -0.04 -1.26 -3.63 135.00 135.37 1ul7 n PRO 70 Ca 0.08 0.16 -0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1ul7 n PRO 70 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1ul7 n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1ul7 n ARG 71 N -1.31 0.44 -2.93 0.54 5.12 -1.26 -5.03 116.66 112.22 1ul7 n ARG 71 Ca 0.07 0.17 -0.22 0.00 -1.93 0.00 0.00 57.85 55.94 1ul7 n ARG 71 Cb 0.12 -1.26 0.02 0.00 -1.16 0.00 0.00 32.46 30.18 1ul7 n ARG 71 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1ul7 s LEU 72 N -7.62 3.57 -0.98 0.55 1.02 -1.24 -5.01 118.68 108.97 1ul7 s LEU 72 Ca -0.24 0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.06 1ul7 s LEU 72 Cb 0.03 -3.06 0.27 0.00 0.02 0.00 0.00 46.19 43.45 1ul7 s LEU 72 CO 0.35 -0.80 2.07 -0.24 0.02 0.00 0.00 176.35 177.76 1ul7 n SER 73 N -2.11 7.45 -3.82 2.29 2.88 -1.26 -4.30 113.62 114.75 1ul7 n SER 73 Ca 0.03 -3.58 -0.11 0.00 -1.33 0.00 0.00 58.87 53.88 1ul7 n SER 73 Cb 0.58 -1.19 -0.08 0.00 -0.75 0.00 0.00 64.21 62.77 1ul7 n SER 73 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ul7 s LEU 74 N -3.67 1.23 -0.55 2.46 1.02 -1.26 -4.89 118.68 113.03 1ul7 s LEU 74 Ca 0.47 -0.25 -0.28 0.00 0.02 0.00 0.00 54.13 54.09 1ul7 s LEU 74 Cb 0.27 1.03 0.03 0.00 0.02 0.00 0.00 46.19 47.54 1ul7 s LEU 74 CO -0.20 -0.52 1.16 0.20 0.02 0.00 0.00 176.35 177.00 1ul7 s ASN 75 N -1.87 6.49 0.56 2.29 -0.87 0.18 -2.36 114.94 119.36 1ul7 s ASN 75 Ca -0.08 0.17 0.01 0.00 -1.57 0.00 0.00 52.86 51.39 1ul7 s ASN 75 Cb -0.03 -2.54 0.03 0.00 -0.02 0.00 0.00 41.25 38.69 1ul7 s ASN 75 CO -0.02 -1.41 0.79 -0.83 -2.57 0.00 0.00 177.10 173.06 1ul7 s GLY 76 N 2.82 1.82 0.21 0.66 0.00 -0.35 -2.90 107.32 109.59 1ul7 s GLY 76 Ca 0.43 -1.31 0.08 0.00 0.00 0.00 0.00 44.72 43.93 1ul7 s GLY 76 CO 0.27 -1.02 0.03 0.14 0.00 0.00 0.00 173.10 172.52 1ul7 s VAL 77 N -2.79 3.76 0.02 1.40 1.01 -1.26 -2.35 120.40 120.19 1ul7 s VAL 77 Ca 0.57 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1ul7 s VAL 77 Cb -0.10 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1ul7 s VAL 77 CO 0.39 -0.23 -0.07 -0.60 0.00 0.00 0.00 175.10 174.59 1ul7 s ARG 78 N -3.31 2.51 -0.22 2.72 6.06 -1.00 -4.82 118.95 120.89 1ul7 s ARG 78 Ca 0.30 -0.75 -0.03 0.00 -2.50 0.00 0.00 55.73 52.74 1ul7 s ARG 78 Cb -0.08 -2.48 0.07 0.00 0.06 0.00 0.00 34.95 32.52 1ul7 s ARG 78 CO 0.20 0.59 0.05 -0.06 -2.50 0.00 0.00 175.30 173.58 1ul7 s PHE 79 N -1.03 1.09 -0.11 5.12 0.40 -1.26 -3.77 117.98 118.43 1ul7 s PHE 79 Ca 0.18 -1.01 0.00 0.00 -0.60 0.00 0.00 56.93 55.50 1ul7 s PHE 79 Cb -0.11 -1.13 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 1ul7 s PHE 79 CO 0.08 -0.67 -0.10 0.21 0.70 0.00 0.00 175.22 175.44 1ul7 s LYS 80 N 1.83 3.13 -0.57 0.44 2.47 -1.19 -5.00 119.74 120.86 1ul7 s LYS 80 Ca 0.02 -0.62 -0.21 0.00 -1.56 0.00 0.00 55.97 53.59 1ul7 s LYS 80 Cb -0.17 -2.63 0.06 0.00 -1.46 0.00 0.00 37.83 33.63 1ul7 s LYS 80 CO -0.13 0.41 0.80 0.50 0.16 0.00 0.00 175.35 177.08 1ul7 s ARG 81 N -0.13 3.16 -0.03 4.03 3.52 -1.26 -2.88 118.95 125.35 1ul7 s ARG 81 Ca 0.00 -0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 54.82 1ul7 s ARG 81 Cb -0.13 -4.14 -0.00 0.00 -1.56 0.00 0.00 34.95 29.11 1ul7 s ARG 81 CO 0.03 -1.48 -0.00 0.82 -0.81 0.00 0.00 175.30 173.86 1ul7 h ILE 82 N 5.94 0.00 -2.71 4.11 1.08 -1.67 -3.49 117.51 120.77 1ul7 h ILE 82 Ca -0.28 -0.34 -0.48 0.00 -0.39 0.00 0.00 64.86 63.37 1ul7 h ILE 82 Cb 1.08 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.69 1ul7 h ILE 82 CO 1.07 0.00 -0.68 -0.44 -0.69 0.00 0.00 178.15 177.41 1ul7 s SER 83 N -3.88 2.69 0.00 1.72 0.01 -1.15 -5.01 113.70 108.07 1ul7 s SER 83 Ca -0.00 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1ul7 s SER 83 Cb 0.00 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1ul7 s SER 83 CO 0.00 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1ul7 n GLY 84 N -0.55 0.32 3.96 3.44 0.00 -1.26 -3.22 105.19 107.88 1ul7 n GLY 84 Ca -0.06 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.49 3.88 0.06 2.61 -1.32 -1.26 -4.93 115.64 113.19 1ul7 s THR 85 Ca 0.00 -0.61 -0.27 0.00 -1.21 0.00 0.00 61.69 59.60 1ul7 s THR 85 Cb 0.00 -3.42 -0.17 0.00 -1.51 0.00 0.00 72.50 67.40 1ul7 s THR 85 CO 0.00 -0.27 1.57 0.28 -2.21 0.00 0.00 174.62 173.99 1ul7 h SER 86 N 0.46 -0.36 -0.91 8.08 0.02 -1.97 0.24 113.55 119.10 1ul7 h SER 86 Ca -0.46 -0.05 0.25 0.00 -0.84 0.00 0.00 61.79 60.69 1ul7 h SER 86 Cb 1.26 0.09 -0.16 0.00 0.14 0.00 0.00 62.40 63.73 1ul7 h SER 86 CO 0.56 -0.18 0.14 0.40 -1.14 0.00 0.00 176.83 176.60 1ul7 h ILE 87 N -0.52 0.19 0.05 3.27 2.04 -2.00 0.26 117.51 120.79 1ul7 h ILE 87 Ca -0.04 -0.04 -0.17 0.00 1.00 0.00 0.00 64.86 65.61 1ul7 h ILE 87 Cb 0.39 0.08 0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1ul7 h ILE 87 CO 0.07 0.02 -0.71 0.00 0.00 0.00 0.00 178.15 177.53 1ul7 h ALA 88 N 1.86 0.02 -0.80 1.87 0.00 -1.92 -2.85 119.26 117.44 1ul7 h ALA 88 Ca 0.56 -0.62 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1ul7 h ALA 88 Cb 1.16 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1ul7 h ALA 88 CO -0.77 0.38 0.38 0.35 0.00 0.00 0.00 179.25 179.60 1ul7 h PHE 89 N -0.15 0.67 -0.24 0.00 3.57 0.17 -1.55 116.94 119.42 1ul7 h PHE 89 Ca -0.10 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 1ul7 h PHE 89 Cb 1.45 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 1ul7 h PHE 89 CO 0.16 0.15 -0.19 -0.22 -2.23 0.00 0.00 178.31 175.98 1ul7 h LYS 90 N 0.57 0.56 0.00 1.11 3.11 -0.69 -2.86 116.57 118.36 1ul7 h LYS 90 Ca 0.43 -0.28 0.00 0.00 -2.81 0.00 0.00 60.65 57.99 1ul7 h LYS 90 Cb 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1ul7 h LYS 90 CO -0.36 0.86 0.00 0.09 -2.81 0.00 0.00 179.45 177.23 1ul7 n ASN 91 N -4.41 0.00 -0.29 4.20 3.02 -0.61 -0.58 115.26 116.58 1ul7 n ASN 91 Ca -0.04 0.75 0.12 0.00 -0.03 0.00 0.00 54.58 55.38 1ul7 n ASN 91 Cb 0.40 -0.25 0.27 0.00 -0.61 0.00 0.00 39.78 39.59 1ul7 n ASN 91 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1ul7 h ILE 92 N 0.00 0.34 -0.79 2.41 6.09 -1.62 0.27 117.51 124.21 1ul7 h ILE 92 Ca 0.00 -0.07 0.14 0.00 -1.37 0.00 0.00 64.86 63.55 1ul7 h ILE 92 Cb 0.00 0.10 -0.09 0.00 0.47 0.00 0.00 36.82 37.30 1ul7 h ILE 92 CO 0.00 0.04 0.37 0.00 -3.07 0.00 0.00 178.15 175.49 1ul7 h ALA 93 N 1.76 1.14 0.00 0.18 0.00 -1.13 0.39 119.26 121.60 1ul7 h ALA 93 Ca 0.53 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1ul7 h ALA 93 Cb 1.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ul7 h ALA 93 CO -0.64 -0.13 0.10 -1.13 0.00 0.00 0.00 179.25 177.45 1ul7 n SER 94 N -4.92 0.38 -0.03 0.00 3.41 0.95 -0.25 113.62 113.15 1ul7 n SER 94 Ca 0.15 0.63 -0.08 0.00 -0.26 0.00 0.00 58.87 59.31 1ul7 n SER 94 Cb 0.40 -0.65 -0.14 0.00 -0.26 0.00 0.00 64.21 63.55 1ul7 n SER 94 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ul7 n LYS 95 N -2.03 0.64 -0.02 4.33 4.76 0.13 -3.86 118.16 122.13 1ul7 n LYS 95 Ca -0.01 0.22 -0.01 0.00 -2.87 0.00 0.00 58.31 55.64 1ul7 n LYS 95 Cb 0.12 -1.73 -0.01 0.00 -1.84 0.00 0.00 35.03 31.57 1ul7 n LYS 95 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1ul7 h ILE 96 N 0.00 0.00 -0.77 -0.18 1.08 -0.44 -2.10 117.51 115.10 1ul7 h ILE 96 Ca -0.33 -0.94 0.18 0.00 -0.39 0.00 0.00 64.86 63.37 1ul7 h ILE 96 Cb 2.03 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 35.65 1ul7 h ILE 96 CO 0.07 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.53 1ul7 h ALA 97 N -1.02 0.80 0.12 1.87 0.00 -1.56 -0.01 119.26 119.45 1ul7 h ALA 97 Ca -0.01 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ul7 h ALA 97 Cb 0.06 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ul7 h ALA 97 CO 0.01 -0.43 -0.06 -0.97 0.00 0.00 0.00 179.25 177.81 1ul7 h ASN 98 N 0.10 -0.13 -0.74 0.00 -1.24 -1.71 -3.31 115.58 108.55 1ul7 h ASN 98 Ca 0.42 0.00 0.12 0.00 0.71 0.00 0.00 56.30 57.56 1ul7 h ASN 98 Cb 0.75 0.03 -0.12 0.00 0.73 0.00 0.00 38.32 39.71 1ul7 h ASN 98 CO -0.68 -0.05 -0.28 -0.62 -1.29 0.00 0.00 177.43 174.51 1ul7 n GLU 99 N -2.69 -0.16 -1.35 6.67 -0.58 -0.79 -4.28 120.64 117.46 1ul7 n GLU 99 Ca -0.02 1.15 -0.53 0.00 -0.42 0.00 0.00 57.16 57.34 1ul7 n GLU 99 Cb 0.06 -1.70 -0.12 0.00 -0.57 0.00 0.00 31.44 29.11 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 -5.11 0.89 -3.14 -4.62 4.77 -0.04 -4.78 117.00 104.96 1ul7 n LEU 100 Ca 0.08 0.47 -0.35 0.00 -0.03 0.00 0.00 56.01 56.18 1ul7 n LEU 100 Cb 0.31 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 1ul7 n LEU 100 CO -0.10 -0.78 2.23 0.29 -1.33 0.00 0.00 177.39 177.70 1ul7 n LYS 101 N 7.92 3.85 0.00 3.23 5.02 -1.26 -4.99 118.16 131.93 1ul7 n LYS 101 Ca 0.55 -2.98 0.13 0.00 -2.02 0.00 0.00 58.31 53.99 1ul7 n LYS 101 Cb 0.04 -2.49 0.32 0.00 -0.02 0.00 0.00 35.03 32.88 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16