#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x49 n SER 2 N 0.00 3.67 0.31 1.61 3.41 -1.26 -4.93 113.62 116.44 1x49 n SER 2 Ca 0.00 1.13 -0.16 0.00 -0.26 0.00 0.00 58.87 59.58 1x49 n SER 2 Cb 0.00 -1.56 -0.08 0.00 -0.26 0.00 0.00 64.21 62.31 1x49 n SER 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1x49 h SER 3 N 4.94 -0.66 -2.35 4.04 0.02 -2.07 -3.44 113.55 114.04 1x49 h SER 3 Ca -0.46 -0.02 -0.62 0.00 -0.84 0.00 0.00 61.79 59.85 1x49 h SER 3 Cb 1.23 0.17 0.09 0.00 0.14 0.00 0.00 62.40 64.04 1x49 h SER 3 CO 0.81 -0.39 0.27 0.61 -1.14 0.00 0.00 176.83 176.98 1x49 n GLY 4 N -1.10 0.04 3.74 -3.77 0.00 -1.26 -4.89 105.19 97.94 1x49 n GLY 4 Ca -0.12 0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 1x49 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x49 s SER 5 N -0.22 7.01 -0.19 1.61 0.01 -1.26 -5.02 113.70 115.63 1x49 s SER 5 Ca 0.65 2.29 -0.08 0.00 1.31 0.00 0.00 55.95 60.13 1x49 s SER 5 Cb -0.74 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 62.84 1x49 s SER 5 CO 0.56 -0.43 0.07 -0.55 0.41 0.00 0.00 173.24 173.30 1x49 s SER 6 N 0.22 5.63 0.00 2.44 0.15 -1.26 -4.84 113.70 116.04 1x49 s SER 6 Ca 0.54 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.25 1x49 s SER 6 Cb -0.34 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1x49 s SER 6 CO 0.37 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.57 1x49 n GLY 7 N 3.74 0.11 0.09 9.45 0.00 -1.26 -5.05 105.19 112.27 1x49 n GLY 7 Ca -0.16 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 1x49 n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1x49 h MET 8 N 0.00 0.00 -6.88 1.61 1.85 -2.07 -3.47 114.93 105.97 1x49 h MET 8 Ca 0.00 0.00 -0.49 0.00 -0.61 0.00 0.00 59.70 58.60 1x49 h MET 8 Cb 0.00 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.04 1x49 h MET 8 CO 0.00 0.62 0.41 0.00 -0.40 0.00 0.00 176.91 177.53 1x49 s ALA 9 N -2.51 3.22 0.14 0.39 0.00 -1.26 -5.04 121.76 116.71 1x49 s ALA 9 Ca -0.23 0.71 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1x49 s ALA 9 Cb 0.04 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.84 1x49 s ALA 9 CO 0.45 -0.08 0.44 -1.54 0.00 0.00 0.00 175.76 175.03 1x49 s SER 10 N -1.35 6.60 -0.93 0.00 1.04 -1.26 -4.89 113.70 112.90 1x49 s SER 10 Ca 0.51 0.78 -0.06 0.00 0.48 0.00 0.00 55.95 57.66 1x49 s SER 10 Cb -0.24 -2.17 0.23 0.00 0.10 0.00 0.00 66.02 63.94 1x49 s SER 10 CO 0.31 0.06 0.85 1.51 0.98 0.00 0.00 173.24 176.96 1x49 s ASP 11 N -2.13 6.47 -0.13 7.02 -4.77 -1.26 -5.04 116.67 116.82 1x49 s ASP 11 Ca 0.40 -3.45 -0.05 0.00 -3.30 0.00 0.00 52.55 46.14 1x49 s ASP 11 Cb -0.13 -2.05 -0.04 0.00 -1.09 0.00 0.00 42.92 39.62 1x49 s ASP 11 CO 0.21 -0.29 0.07 -0.89 0.70 0.00 0.00 175.17 174.97 1x49 s THR 12 N -0.98 4.89 -0.71 2.11 2.01 -1.26 -5.04 115.64 116.66 1x49 s THR 12 Ca 0.26 -0.02 -0.26 0.00 0.31 0.00 0.00 61.69 61.98 1x49 s THR 12 Cb -0.10 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 1x49 s THR 12 CO -0.09 0.56 1.89 -2.16 -0.69 0.00 0.00 174.62 174.13 1x49 s PRO 13 N -0.51 2.60 -0.54 4.92 0.04 -1.26 -4.12 135.00 136.13 1x49 s PRO 13 Ca 0.10 0.31 -0.19 0.00 0.04 0.00 0.00 61.00 61.27 1x49 s PRO 13 Cb -0.12 -4.61 0.03 0.00 0.04 0.00 0.00 34.50 29.83 1x49 s PRO 13 CO 0.02 -2.95 0.64 0.41 0.04 0.00 0.00 177.00 175.16 1x49 n GLY 14 N 6.08 -0.83 0.09 0.56 0.00 -1.26 -4.97 105.19 104.86 1x49 n GLY 14 Ca 0.27 1.01 -0.15 0.00 0.00 0.00 0.00 46.02 47.15 1x49 n GLY 14 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1x49 n PHE 15 N -0.83 0.90 0.05 1.61 7.35 -1.26 -4.06 117.46 121.22 1x49 n PHE 15 Ca -0.03 0.39 -0.13 0.00 -0.76 0.00 0.00 57.45 56.92 1x49 n PHE 15 Cb 0.57 -0.95 -0.09 0.00 0.35 0.00 0.00 39.48 39.36 1x49 n PHE 15 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1x49 h TYR 16 N -1.00 -0.12 -0.96 -5.13 0.05 -1.93 -2.95 116.97 104.93 1x49 h TYR 16 Ca -0.23 -0.00 0.31 0.00 0.05 0.00 0.00 58.73 58.86 1x49 h TYR 16 Cb 1.02 0.04 -0.16 0.00 1.01 0.00 0.00 36.73 38.63 1x49 h TYR 16 CO -0.05 0.19 0.35 0.52 -1.05 0.00 0.00 178.16 178.12 1x49 h MET 17 N -0.43 0.14 -0.62 4.88 2.86 -1.83 0.86 114.93 120.80 1x49 h MET 17 Ca -0.01 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1x49 h MET 17 Cb 0.36 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1x49 h MET 17 CO 0.02 0.09 0.02 -0.44 1.06 0.00 0.00 176.91 177.66 1x49 h ASP 18 N 0.15 1.04 -0.52 1.22 5.19 -1.68 -3.01 116.42 118.81 1x49 h ASP 18 Ca 0.68 -0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.78 1x49 h ASP 18 Cb 1.55 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.76 1x49 h ASP 18 CO -0.73 1.08 0.24 0.11 -3.12 0.00 0.00 179.24 176.83 1x49 h LYS 19 N 0.98 0.76 -0.25 3.56 1.57 0.85 -2.87 116.57 121.16 1x49 h LYS 19 Ca 0.18 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1x49 h LYS 19 Cb 0.54 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.64 1x49 h LYS 19 CO 0.03 0.64 -0.29 -0.07 -0.57 0.00 0.00 179.45 179.18 1x49 h LEU 20 N 0.70 -0.94 0.24 2.94 3.38 -1.00 -2.31 115.31 118.31 1x49 h LEU 20 Ca 0.18 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1x49 h LEU 20 Cb 0.13 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1x49 h LEU 20 CO -0.02 -0.32 -0.52 0.78 0.09 0.00 0.00 178.44 178.45 1x49 h ASN 21 N -0.30 -1.51 -0.26 -0.43 2.35 -1.47 0.21 115.58 114.16 1x49 h ASN 21 Ca 0.13 0.15 0.08 0.00 -0.55 0.00 0.00 56.30 56.10 1x49 h ASN 21 Cb 0.51 0.54 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1x49 h ASN 21 CO -0.42 -0.59 0.78 0.11 -1.65 0.00 0.00 177.43 175.66 1x49 h LYS 22 N -0.83 0.00 0.04 0.81 6.56 -1.26 1.01 116.57 122.90 1x49 h LYS 22 Ca -0.03 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 59.22 1x49 h LYS 22 Cb 0.79 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.40 1x49 h LYS 22 CO -0.21 0.00 -2.05 0.98 -2.06 0.00 0.00 179.45 176.11 1x49 n TYR 23 N -2.92 0.74 0.15 -1.35 4.19 0.22 -3.23 117.16 114.95 1x49 n TYR 23 Ca 0.05 0.21 -0.00 0.00 3.31 0.00 0.00 57.90 61.47 1x49 n TYR 23 Cb 0.88 -1.11 0.25 0.00 0.49 0.00 0.00 39.34 39.84 1x49 n TYR 23 CO 0.00 0.00 0.00 0.07 0.91 0.00 0.00 176.86 177.84 1x49 h ARG 24 N 0.02 0.04 0.00 2.98 0.11 0.38 -1.09 114.38 116.82 1x49 h ARG 24 Ca -0.43 -0.02 -0.16 0.00 0.10 0.00 0.00 59.98 59.48 1x49 h ARG 24 Cb 2.05 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 33.10 1x49 h ARG 24 CO 0.05 0.53 -1.02 -0.56 0.10 0.00 0.00 179.97 179.07 1x49 h GLN 25 N 0.03 0.00 0.07 0.08 3.07 -1.09 -0.63 115.11 116.64 1x49 h GLN 25 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.73 1x49 h GLN 25 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.46 1x49 h GLN 25 CO 0.07 0.49 -0.03 1.98 0.09 0.00 0.00 178.83 181.42 1x49 h MET 26 N 0.00 -0.09 -0.12 0.06 4.05 -1.49 -3.36 114.93 113.98 1x49 h MET 26 Ca -0.09 0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.17 1x49 h MET 26 Cb 1.56 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.38 1x49 h MET 26 CO 0.07 0.18 -0.64 0.45 0.23 0.00 0.00 176.91 177.19 1x49 h HIS 27 N -1.00 0.60 -0.41 1.39 3.86 -1.37 -3.48 115.15 114.74 1x49 h HIS 27 Ca -0.01 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 58.96 1x49 h HIS 27 Cb 0.31 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1x49 h HIS 27 CO 0.07 0.98 0.00 0.41 0.86 0.00 0.00 177.93 180.24 1x49 n GLY 28 N 0.41 0.58 3.84 2.45 0.00 -0.66 -5.08 105.19 106.72 1x49 n GLY 28 Ca -0.04 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1x49 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x49 s VAL 29 N -1.59 1.57 -0.26 1.61 -7.23 -0.33 -5.03 120.40 109.14 1x49 s VAL 29 Ca 0.00 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 1x49 s VAL 29 Cb 0.00 -2.24 0.05 0.00 0.56 0.00 0.00 36.38 34.75 1x49 s VAL 29 CO 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 175.10 174.69 1x49 s ALA 30 N -2.79 2.58 -0.17 1.32 0.00 -1.26 -4.72 121.76 116.72 1x49 s ALA 30 Ca 0.26 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.39 1x49 s ALA 30 Cb -0.00 -1.60 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1x49 s ALA 30 CO 0.15 -1.11 0.22 0.42 0.00 0.00 0.00 175.76 175.44 1x49 s ILE 31 N 1.15 5.36 -0.03 0.00 1.01 -1.25 -2.73 121.20 124.70 1x49 s ILE 31 Ca -0.07 0.38 0.03 0.00 0.00 0.00 0.00 60.65 61.00 1x49 s ILE 31 Cb -0.19 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 1x49 s ILE 31 CO -0.05 0.42 -0.13 -0.89 0.00 0.00 0.00 174.94 174.29 1x49 s THR 32 N 0.33 1.09 -0.42 2.92 2.01 -0.11 -4.91 115.64 116.55 1x49 s THR 32 Ca 0.13 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 1x49 s THR 32 Cb -0.12 -0.95 0.07 0.00 0.01 0.00 0.00 72.50 71.51 1x49 s THR 32 CO 0.01 0.32 0.28 -0.31 -0.69 0.00 0.00 174.62 174.24 1x49 s TYR 33 N 0.06 3.31 -0.19 4.92 1.51 -1.26 0.23 117.35 125.93 1x49 s TYR 33 Ca -0.02 -1.37 -0.23 0.00 -1.01 0.00 0.00 57.07 54.43 1x49 s TYR 33 Cb -0.09 -2.96 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 1x49 s TYR 33 CO 0.01 -0.82 0.76 0.21 -1.11 0.00 0.00 175.55 174.59 1x49 s LYS 34 N 1.47 4.25 -0.47 -0.62 2.20 -0.08 -4.95 119.74 121.53 1x49 s LYS 34 Ca 0.03 0.86 -0.29 0.00 -0.36 0.00 0.00 55.97 56.21 1x49 s LYS 34 Cb -0.23 -3.59 0.03 0.00 -1.51 0.00 0.00 37.83 32.53 1x49 s LYS 34 CO 0.03 -0.33 1.12 -2.00 -0.36 0.00 0.00 175.35 173.82 1x49 s GLU 35 N 2.17 3.72 0.67 4.03 2.12 -1.26 -2.80 118.70 127.35 1x49 s GLU 35 Ca 0.34 0.54 -0.06 0.00 0.36 0.00 0.00 54.97 56.15 1x49 s GLU 35 Cb -0.16 -3.91 0.05 0.00 0.26 0.00 0.00 34.13 30.37 1x49 s GLU 35 CO 0.11 -1.36 0.98 -0.51 -0.54 0.00 0.00 175.26 173.94 1x49 s LEU 36 N 4.39 2.93 0.00 2.70 1.43 -0.90 -5.04 118.68 124.19 1x49 s LEU 36 Ca 0.47 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.98 1x49 s LEU 36 Cb -0.07 -3.21 0.16 0.00 0.03 0.00 0.00 46.19 43.09 1x49 s LEU 36 CO 0.31 -1.45 0.53 -0.24 0.23 0.00 0.00 176.35 175.73 1x49 n SER 37 N -2.83 -1.81 -4.59 2.29 2.88 -1.26 -4.44 113.62 103.86 1x49 n SER 37 Ca 0.07 -0.77 -0.33 0.00 -1.33 0.00 0.00 58.87 56.51 1x49 n SER 37 Cb 0.60 -0.51 -0.11 0.00 -0.75 0.00 0.00 64.21 63.44 1x49 n SER 37 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x49 s THR 38 N -1.93 3.68 -0.02 2.46 2.01 -1.26 -3.08 115.64 117.51 1x49 s THR 38 Ca 0.36 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.76 1x49 s THR 38 Cb -0.04 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.94 1x49 s THR 38 CO 0.28 0.51 -0.02 -0.55 -0.69 0.00 0.00 174.62 174.15 1x49 s SER 39 N -1.06 0.38 0.00 3.53 0.15 -0.96 -4.97 113.70 110.77 1x49 s SER 39 Ca 0.14 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1x49 s SER 39 Cb -0.11 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1x49 s SER 39 CO 0.04 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.06 1x49 n GLY 40 N 3.56 0.81 3.68 9.45 0.00 -1.26 -3.14 105.19 118.28 1x49 n GLY 40 Ca -0.20 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 1x49 n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x49 s PRO 41 N -2.00 0.41 0.19 1.61 0.04 -1.10 -4.96 135.00 129.18 1x49 s PRO 41 Ca 0.00 0.51 -0.06 0.00 0.04 0.00 0.00 61.00 61.49 1x49 s PRO 41 Cb 0.00 -1.74 0.10 0.00 0.04 0.00 0.00 34.50 32.90 1x49 s PRO 41 CO 0.00 -2.75 1.54 -1.00 0.04 0.00 0.00 177.00 174.83 1x49 h PRO 42 N -1.90 0.73 -0.02 0.56 0.13 -2.03 -3.28 132.00 126.18 1x49 h PRO 42 Ca -0.55 -0.38 -0.03 0.00 -0.87 0.00 0.00 66.00 64.17 1x49 h PRO 42 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x49 h PRO 42 CO 0.58 1.00 -0.11 1.12 -0.23 0.00 0.00 178.00 180.36 1x49 h HIS 43 N 0.59 0.15 -3.61 1.56 2.07 -2.05 -3.42 115.15 110.44 1x49 h HIS 43 Ca 0.05 -0.07 -0.68 0.00 -2.85 0.00 0.00 60.37 56.83 1x49 h HIS 43 Cb 0.95 -0.02 -0.25 0.00 2.57 0.00 0.00 27.41 30.66 1x49 h HIS 43 CO 0.05 0.76 -0.61 0.34 -3.07 0.00 0.00 177.93 175.40 1x49 s ASP 44 N -6.05 5.21 -0.25 3.10 2.15 -1.24 -5.08 116.67 114.52 1x49 s ASP 44 Ca -0.16 -0.66 -0.07 0.00 0.43 0.00 0.00 52.55 52.09 1x49 s ASP 44 Cb 0.01 -1.91 -0.03 0.00 -0.30 0.00 0.00 42.92 40.70 1x49 s ASP 44 CO 0.71 -0.19 0.06 -0.13 -0.17 0.00 0.00 175.17 175.45 1x49 s ARG 45 N 1.52 3.63 -0.36 4.34 1.81 -1.26 -2.71 118.95 125.93 1x49 s ARG 45 Ca 0.03 -0.49 -0.15 0.00 -1.72 0.00 0.00 55.73 53.40 1x49 s ARG 45 Cb -0.17 -3.30 -0.01 0.00 -0.45 0.00 0.00 34.95 31.02 1x49 s ARG 45 CO 0.03 -0.19 0.36 1.03 -0.68 0.00 0.00 175.30 175.85 1x49 s ARG 46 N 1.60 3.46 -0.34 3.54 1.81 -1.19 -4.81 118.95 123.03 1x49 s ARG 46 Ca 0.06 -0.51 -0.23 0.00 -1.72 0.00 0.00 55.73 53.33 1x49 s ARG 46 Cb -0.15 -3.84 0.00 0.00 -0.45 0.00 0.00 34.95 30.52 1x49 s ARG 46 CO 0.03 -0.58 0.77 -0.06 -0.68 0.00 0.00 175.30 174.79 1x49 s PHE 47 N 2.00 3.15 0.25 -0.53 0.08 -1.13 -2.26 117.98 119.55 1x49 s PHE 47 Ca 0.11 0.65 -0.15 0.00 0.12 0.00 0.00 56.93 57.67 1x49 s PHE 47 Cb -0.17 -3.30 -0.08 0.00 -0.57 0.00 0.00 43.02 38.90 1x49 s PHE 47 CO 0.12 -0.65 0.66 0.99 -0.10 0.00 0.00 175.22 176.24 1x49 s THR 48 N 3.00 4.74 0.15 0.64 2.01 -1.18 -2.52 115.64 122.49 1x49 s THR 48 Ca 0.31 0.89 -0.06 0.00 0.31 0.00 0.00 61.69 63.14 1x49 s THR 48 Cb -0.14 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1x49 s THR 48 CO 0.15 -0.01 0.20 -0.36 -0.69 0.00 0.00 174.62 173.90 1x49 s PHE 49 N -1.77 0.59 -0.09 4.92 0.40 -0.29 -2.12 117.98 119.62 1x49 s PHE 49 Ca 0.48 -0.96 -0.23 0.00 -0.60 0.00 0.00 56.93 55.63 1x49 s PHE 49 Cb -0.12 -0.23 0.05 0.00 0.51 0.00 0.00 43.02 43.23 1x49 s PHE 49 CO 0.19 -0.65 0.53 1.14 0.70 0.00 0.00 175.22 177.14 1x49 s GLN 50 N -4.00 0.82 0.14 0.44 -2.07 -1.12 0.24 119.66 114.10 1x49 s GLN 50 Ca 0.20 0.28 0.05 0.00 -1.82 0.00 0.00 55.36 54.08 1x49 s GLN 50 Cb 0.05 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.31 1x49 s GLN 50 CO 0.01 -0.21 0.05 0.08 -1.32 0.00 0.00 175.29 173.90 1x49 s VAL 51 N -0.78 4.13 -0.21 3.63 1.01 -1.26 -0.91 120.40 126.03 1x49 s VAL 51 Ca -0.08 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 1x49 s VAL 51 Cb -0.03 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.36 1x49 s VAL 51 CO 0.05 -0.02 0.00 -0.76 0.00 0.00 0.00 175.10 174.38 1x49 s LEU 52 N -2.76 1.69 -0.19 3.92 1.02 0.13 -2.47 118.68 120.02 1x49 s LEU 52 Ca 0.28 -0.94 -0.03 0.00 0.02 0.00 0.00 54.13 53.46 1x49 s LEU 52 Cb -0.10 -0.81 -0.01 0.00 0.02 0.00 0.00 46.19 45.28 1x49 s LEU 52 CO 0.20 -0.28 -0.05 -0.63 0.02 0.00 0.00 176.35 175.61 1x49 s ILE 53 N 1.69 3.46 -1.29 -0.59 1.01 -1.18 -0.93 121.20 123.37 1x49 s ILE 53 Ca -0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 1x49 s ILE 53 Cb -0.18 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.76 1x49 s ILE 53 CO -0.07 0.46 1.05 -0.67 0.00 0.00 0.00 174.94 175.71 1x49 n ASP 54 N 4.27 -3.83 -1.89 3.58 -0.08 -1.11 -1.42 116.55 116.06 1x49 n ASP 54 Ca -0.18 -0.61 -0.19 0.00 -1.51 0.00 0.00 54.79 52.30 1x49 n ASP 54 Cb 0.52 -4.96 -0.04 0.00 2.34 0.00 0.00 41.12 38.98 1x49 n ASP 54 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1x49 n GLU 55 N -4.52 -1.44 -3.96 -0.67 1.02 -1.26 -4.98 120.64 104.83 1x49 n GLU 55 Ca -0.16 1.02 -0.32 0.00 -0.02 0.00 0.00 57.16 57.68 1x49 n GLU 55 Cb 0.62 -5.48 -0.05 0.00 -0.02 0.00 0.00 31.44 26.51 1x49 n GLU 55 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1x49 s LYS 56 N -4.43 3.29 -0.39 3.49 2.20 -0.51 -5.08 119.74 118.31 1x49 s LYS 56 Ca 0.00 -0.45 -0.10 0.00 -0.36 0.00 0.00 55.97 55.05 1x49 s LYS 56 Cb 0.00 -2.98 0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1x49 s LYS 56 CO 0.00 0.63 0.22 -1.21 -0.36 0.00 0.00 175.35 174.63 1x49 s GLU 57 N -2.20 2.75 0.40 4.03 2.02 -1.26 -3.09 118.70 121.35 1x49 s GLU 57 Ca 0.30 -1.21 -0.05 0.00 0.02 0.00 0.00 54.97 54.03 1x49 s GLU 57 Cb -0.13 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 1x49 s GLU 57 CO 0.22 -0.78 0.69 -0.06 0.02 0.00 0.00 175.26 175.35 1x49 s PHE 58 N 1.51 3.52 -0.44 1.61 0.40 -1.03 -5.01 117.98 118.54 1x49 s PHE 58 Ca 0.02 0.73 -0.28 0.00 -0.60 0.00 0.00 56.93 56.80 1x49 s PHE 58 Cb -0.20 -2.21 -0.01 0.00 0.51 0.00 0.00 43.02 41.10 1x49 s PHE 58 CO 0.05 -0.08 1.75 -1.25 0.70 0.00 0.00 175.22 176.39 1x49 s PRO 59 N -4.27 3.14 1.00 0.24 0.04 -1.26 -4.61 135.00 129.27 1x49 s PRO 59 Ca 0.46 1.07 -0.20 0.00 0.04 0.00 0.00 61.00 62.37 1x49 s PRO 59 Cb -0.10 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.19 1x49 s PRO 59 CO 0.38 -2.10 -0.57 -0.85 0.04 0.00 0.00 177.00 173.89 1x49 n GLU 60 N 8.63 -0.94 -3.78 4.56 0.00 -1.26 -4.87 120.64 122.98 1x49 n GLU 60 Ca 0.21 -0.27 -0.10 0.00 0.00 0.00 0.00 57.16 57.00 1x49 n GLU 60 Cb 0.49 -1.32 -0.07 0.00 0.00 0.00 0.00 31.44 30.54 1x49 n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x49 s ALA 61 N -2.09 -0.51 -0.01 -1.84 0.00 0.14 -4.89 121.76 112.55 1x49 s ALA 61 Ca 0.40 -0.33 -0.07 0.00 0.00 0.00 0.00 51.96 51.96 1x49 s ALA 61 Cb -0.01 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.57 1x49 s ALA 61 CO 0.55 -0.52 0.25 0.15 0.00 0.00 0.00 175.76 176.19 1x49 s LYS 62 N -3.53 3.58 -0.09 0.00 1.02 -1.26 -1.14 119.74 118.31 1x49 s LYS 62 Ca 0.02 -0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.89 1x49 s LYS 62 Cb 0.03 -3.11 0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1x49 s LYS 62 CO -0.09 0.67 0.23 0.20 -0.92 0.00 0.00 175.35 175.44 1x49 s GLY 63 N -1.55 -0.15 0.19 -3.33 0.00 -1.05 -4.73 107.32 96.70 1x49 s GLY 63 Ca 0.25 0.79 -0.20 0.00 0.00 0.00 0.00 44.72 45.56 1x49 s GLY 63 CO 0.14 0.87 1.43 -2.13 0.00 0.00 0.00 173.10 173.41 1x49 n ARG 64 N 3.55 -0.28 -4.35 2.90 0.63 -1.26 -2.83 116.66 115.02 1x49 n ARG 64 Ca -0.19 1.42 -0.25 0.00 -0.92 0.00 0.00 57.85 57.91 1x49 n ARG 64 Cb 0.56 -2.09 -0.09 0.00 0.45 0.00 0.00 32.46 31.29 1x49 n ARG 64 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1x49 s SER 65 N -5.38 4.15 0.20 6.15 0.01 -1.26 -4.42 113.70 113.15 1x49 s SER 65 Ca -0.12 -1.00 -0.21 0.00 1.31 0.00 0.00 55.95 55.93 1x49 s SER 65 Cb 0.16 -0.52 0.14 0.00 0.21 0.00 0.00 66.02 66.00 1x49 s SER 65 CO 0.63 -0.23 1.57 0.11 0.41 0.00 0.00 173.24 175.73 1x49 h LYS 66 N 1.82 -0.12 0.60 12.44 1.79 -1.88 -0.98 116.57 130.25 1x49 h LYS 66 Ca -0.43 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.02 1x49 h LYS 66 Cb 1.25 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.93 1x49 h LYS 66 CO 0.67 -0.08 -0.29 1.96 -1.08 0.00 0.00 179.45 180.64 1x49 h GLN 67 N -0.12 -0.77 -0.84 3.15 4.20 -1.95 -2.85 115.11 115.92 1x49 h GLN 67 Ca 0.25 0.05 0.33 0.00 0.06 0.00 0.00 58.65 59.35 1x49 h GLN 67 Cb 0.56 0.18 -0.13 0.00 0.30 0.00 0.00 27.48 28.39 1x49 h GLN 67 CO -0.78 -0.51 0.48 -1.91 -0.67 0.00 0.00 178.83 175.43 1x49 n GLU 68 N -4.26 -0.04 0.01 1.46 4.07 -0.94 0.19 120.64 121.12 1x49 n GLU 68 Ca -0.10 1.04 -0.12 0.00 -0.06 0.00 0.00 57.16 57.93 1x49 n GLU 68 Cb 0.32 -1.91 -0.06 0.00 -0.06 0.00 0.00 31.44 29.72 1x49 n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x49 h ALA 69 N 1.47 0.08 -0.84 4.31 0.00 -0.96 -2.35 119.26 120.97 1x49 h ALA 69 Ca 0.66 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.70 1x49 h ALA 69 Cb 1.85 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.50 1x49 h ALA 69 CO -0.54 -0.38 0.36 0.00 0.00 0.00 0.00 179.25 178.69 1x49 h ARG 70 N 0.01 0.43 -0.55 0.00 3.08 0.21 0.14 114.38 117.70 1x49 h ARG 70 Ca 0.02 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1x49 h ARG 70 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1x49 h ARG 70 CO -0.00 0.29 0.13 -0.97 -1.07 0.00 0.00 179.97 178.34 1x49 h ASN 71 N 0.44 0.84 -0.09 7.04 -1.24 -1.29 -2.15 115.58 119.13 1x49 h ASN 71 Ca 0.49 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 1x49 h ASN 71 Cb 0.84 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.67 1x49 h ASN 71 CO -0.47 0.85 0.04 0.00 -1.29 0.00 0.00 177.43 176.56 1x49 h ALA 72 N 1.01 0.12 -0.66 1.57 0.00 -0.41 -1.81 119.26 119.09 1x49 h ALA 72 Ca 0.17 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1x49 h ALA 72 Cb 0.34 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1x49 h ALA 72 CO 0.00 -0.29 0.44 0.00 0.00 0.00 0.00 179.25 179.40 1x49 h ALA 73 N 0.87 1.77 -0.11 0.00 0.00 -0.77 -1.18 119.26 119.84 1x49 h ALA 73 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1x49 h ALA 73 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x49 h ALA 73 CO -0.00 0.12 -0.56 0.00 0.00 0.00 0.00 179.25 178.81 1x49 h ALA 74 N 1.64 0.84 -0.54 0.00 0.00 -1.11 -3.11 119.26 116.99 1x49 h ALA 74 Ca 0.29 -0.51 0.10 0.00 0.00 0.00 0.00 54.91 54.78 1x49 h ALA 74 Cb 0.28 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1x49 h ALA 74 CO -0.09 0.70 0.10 -0.22 0.00 0.00 0.00 179.25 179.74 1x49 h LYS 75 N 0.26 0.23 -0.45 0.00 3.64 -0.34 0.36 116.57 120.28 1x49 h LYS 75 Ca 0.00 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1x49 h LYS 75 Cb 1.06 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1x49 h LYS 75 CO 0.09 0.15 -0.10 -0.07 -2.27 0.00 0.00 179.45 177.26 1x49 h LEU 76 N 0.24 0.79 0.33 5.20 3.38 -1.53 -2.38 115.31 121.34 1x49 h LEU 76 Ca 0.27 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1x49 h LEU 76 Cb 0.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1x49 h LEU 76 CO -0.36 0.91 -0.16 0.00 0.09 0.00 0.00 178.44 178.92 1x49 h ALA 77 N 1.17 -0.72 -1.01 1.53 0.00 -1.12 -2.67 119.26 116.43 1x49 h ALA 77 Ca 0.12 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.24 1x49 h ALA 77 Cb 0.58 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 1x49 h ALA 77 CO 0.04 -0.69 0.58 0.28 0.00 0.00 0.00 179.25 179.46 1x49 h VAL 78 N -0.67 0.35 -0.61 0.00 2.07 -0.42 0.75 116.25 117.72 1x49 h VAL 78 Ca -0.05 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1x49 h VAL 78 Cb 0.34 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1x49 h VAL 78 CO 0.08 0.07 0.24 0.44 0.02 0.00 0.00 177.57 178.41 1x49 h ASP 79 N 0.37 0.81 -0.07 0.57 5.19 -1.44 -2.67 116.42 119.17 1x49 h ASP 79 Ca 0.72 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.99 1x49 h ASP 79 Cb 1.60 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 40.90 1x49 h ASP 79 CO -0.57 0.73 -0.08 0.40 -3.12 0.00 0.00 179.24 176.60 1x49 h ILE 80 N 0.87 1.37 -0.39 0.35 2.04 0.83 -3.27 117.51 119.31 1x49 h ILE 80 Ca 0.21 -1.26 0.08 0.00 1.00 0.00 0.00 64.86 64.89 1x49 h ILE 80 Cb 0.18 2.05 -0.09 0.00 -0.74 0.00 0.00 36.82 38.22 1x49 h ILE 80 CO -0.02 0.35 -0.23 -0.07 0.00 0.00 0.00 178.15 178.18 1x49 h LEU 81 N -0.25 -0.77 -1.53 1.44 3.38 -1.09 0.57 115.31 117.05 1x49 h LEU 81 Ca 0.01 0.16 0.45 0.00 0.09 0.00 0.00 57.88 58.59 1x49 h LEU 81 Cb 0.60 0.40 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 1x49 h LEU 81 CO 0.02 -0.26 1.32 -0.67 0.09 0.00 0.00 178.44 178.94 1x49 n ASP 82 N -5.39 0.00 -0.05 -0.43 -0.08 -1.02 0.11 116.55 109.69 1x49 n ASP 82 Ca 0.02 0.87 -0.04 0.00 -1.51 0.00 0.00 54.79 54.14 1x49 n ASP 82 Cb 0.30 -0.38 -0.09 0.00 2.34 0.00 0.00 41.12 43.28 1x49 n ASP 82 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1x49 n ASN 83 N -3.58 2.07 -3.42 1.67 2.85 0.54 -5.01 115.26 110.38 1x49 n ASN 83 Ca 0.35 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.57 1x49 n ASN 83 Cb 1.78 0.92 0.03 0.00 1.24 0.00 0.00 39.78 43.75 1x49 n ASN 83 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1x49 n GLU 84 N -2.36 -4.94 -3.02 1.20 1.02 0.31 -4.89 120.64 107.96 1x49 n GLU 84 Ca -0.17 0.69 -0.44 0.00 -0.02 0.00 0.00 57.16 57.22 1x49 n GLU 84 Cb 0.80 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.68 1x49 n GLU 84 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1x49 n ASN 85 N -2.59 5.31 -4.57 1.62 4.13 -1.26 -4.96 115.26 112.96 1x49 n ASN 85 Ca -0.03 -3.00 -0.28 0.00 1.68 0.00 0.00 54.58 52.95 1x49 n ASN 85 Cb 0.57 -1.52 -0.05 0.00 -1.54 0.00 0.00 39.78 37.24 1x49 n ASN 85 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1x49 s LYS 86 N 0.75 2.60 0.41 3.52 3.01 -1.26 -4.95 119.74 123.83 1x49 s LYS 86 Ca 0.40 -0.60 -0.22 0.00 -1.01 0.00 0.00 55.97 54.53 1x49 s LYS 86 Cb -0.04 -5.13 -0.10 0.00 -1.01 0.00 0.00 37.83 31.55 1x49 s LYS 86 CO -0.02 -3.49 0.98 0.14 0.51 0.00 0.00 175.35 173.48 1x49 s VAL 87 N 10.06 4.11 0.06 3.17 -7.23 -1.26 -4.95 120.40 124.37 1x49 s VAL 87 Ca 0.68 1.45 -0.37 0.00 -1.81 0.00 0.00 61.98 61.94 1x49 s VAL 87 Cb -0.05 -3.67 -0.17 0.00 0.56 0.00 0.00 36.38 33.06 1x49 s VAL 87 CO 0.03 -0.15 1.35 -0.67 -0.31 0.00 0.00 175.10 175.35 1x49 n ASP 88 N -0.36 1.60 0.00 4.85 2.03 -1.26 -4.85 116.55 118.56 1x49 n ASP 88 Ca 0.06 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.49 1x49 n ASP 88 Cb 0.52 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 1x49 n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x49 n HIS 90 N -2.16 -2.05 -2.68 0.00 8.25 -1.26 -4.88 115.22 110.43 1x49 n HIS 90 Ca 0.00 0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 57.25 1x49 n HIS 90 Cb 0.28 -1.60 -0.03 0.00 1.12 0.00 0.00 29.99 29.77 1x49 n HIS 90 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1x49 s THR 91 N -2.23 4.78 0.21 1.59 2.01 -1.26 -5.04 115.64 115.70 1x49 s THR 91 Ca 0.51 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.54 1x49 s THR 91 Cb -0.13 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.03 1x49 s THR 91 CO 0.69 0.08 0.04 -0.44 -0.69 0.00 0.00 174.62 174.30 1x49 s SER 92 N 1.07 1.20 0.00 3.53 0.01 -1.26 -5.07 113.70 113.18 1x49 s SER 92 Ca 0.51 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1x49 s SER 92 Cb -0.20 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1x49 s SER 92 CO 0.23 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1x49 n GLY 93 N -0.33 -1.80 0.19 3.44 0.00 -1.26 -4.97 105.19 100.46 1x49 n GLY 93 Ca -0.04 0.72 -0.02 0.00 0.00 0.00 0.00 46.02 46.67 1x49 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x49 h PRO 94 N 0.00 0.21 -5.86 1.61 0.13 -2.07 -3.42 132.00 122.60 1x49 h PRO 94 Ca 0.00 -0.11 -0.50 0.00 -0.87 0.00 0.00 66.00 64.51 1x49 h PRO 94 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1x49 h PRO 94 CO 0.00 0.64 1.48 -1.54 -0.23 0.00 0.00 178.00 178.35 1x49 s SER 95 N -6.88 5.01 0.14 1.44 1.04 -1.26 -4.85 113.70 108.34 1x49 s SER 95 Ca -0.04 0.96 -0.20 0.00 0.48 0.00 0.00 55.95 57.15 1x49 s SER 95 Cb 0.13 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1x49 s SER 95 CO 0.78 -2.46 1.68 -1.28 0.98 0.00 0.00 173.24 172.93 1x49 h SER 96 N 16.69 -0.34 0.00 7.02 0.87 -2.04 -3.50 113.55 132.25 1x49 h SER 96 Ca -0.28 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1x49 h SER 96 Cb 1.22 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1x49 h SER 96 CO 1.14 -0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.92