#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x49 s SER 2 N 0.00 0.62 0.38 1.61 0.15 -1.26 -5.02 113.70 110.18 1x49 s SER 2 Ca 0.00 0.16 0.16 0.00 0.70 0.00 0.00 55.95 56.97 1x49 s SER 2 Cb 0.00 0.02 1.03 0.00 -1.71 0.00 0.00 66.02 65.36 1x49 s SER 2 CO 0.00 -0.21 1.77 0.77 1.20 0.00 0.00 173.24 176.78 1x49 h SER 3 N 7.98 0.51 -2.59 5.45 4.64 -2.11 -3.47 113.55 123.97 1x49 h SER 3 Ca -0.25 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1x49 h SER 3 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1x49 h SER 3 CO 0.26 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 1x49 n GLY 4 N -1.44 -0.98 2.73 -0.77 0.00 -1.26 -5.04 105.19 98.44 1x49 n GLY 4 Ca 0.25 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.27 2.73 0.17 1.61 0.01 -1.26 -5.03 113.70 110.66 1x49 s SER 5 Ca 0.00 -0.72 -0.22 0.00 1.31 0.00 0.00 55.95 56.32 1x49 s SER 5 Cb 0.00 -0.56 0.08 0.00 0.21 0.00 0.00 66.02 65.75 1x49 s SER 5 CO 0.00 -0.29 1.60 -1.28 0.41 0.00 0.00 173.24 173.67 1x49 h SER 6 N 8.26 -1.06 0.00 2.44 0.87 -2.05 -3.43 113.55 118.58 1x49 h SER 6 Ca -0.17 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1x49 h SER 6 Cb 1.12 0.51 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1x49 h SER 6 CO 0.33 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 176.93 1x49 n GLY 7 N -1.42 1.14 4.04 5.77 0.00 -1.26 -4.96 105.19 108.51 1x49 n GLY 7 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1x49 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x49 n MET 8 N 0.00 -4.15 -3.94 1.61 0.00 -1.26 -4.93 117.12 104.45 1x49 n MET 8 Ca 0.00 0.47 -0.32 0.00 -0.00 0.00 0.00 57.70 57.85 1x49 n MET 8 Cb 0.00 -5.16 -0.14 0.00 0.00 0.00 0.00 33.22 27.92 1x49 n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x49 s ALA 9 N -3.42 3.07 0.55 -5.12 0.00 -1.26 -5.10 121.76 110.48 1x49 s ALA 9 Ca 0.56 -2.73 0.06 0.00 0.00 0.00 0.00 51.96 49.85 1x49 s ALA 9 Cb -0.29 -2.14 0.06 0.00 0.00 0.00 0.00 23.12 20.75 1x49 s ALA 9 CO 0.88 -1.80 0.76 0.45 0.00 0.00 0.00 175.76 176.05 1x49 s SER 10 N 0.84 5.17 -1.21 0.00 0.15 -1.26 -5.02 113.70 112.37 1x49 s SER 10 Ca 0.12 -0.48 -0.11 0.00 0.70 0.00 0.00 55.95 56.17 1x49 s SER 10 Cb -0.21 -0.26 0.20 0.00 -1.71 0.00 0.00 66.02 64.03 1x49 s SER 10 CO -0.05 -1.22 1.49 0.47 1.20 0.00 0.00 173.24 175.12 1x49 n ASP 11 N -2.25 5.32 -4.74 5.45 9.92 -1.26 -5.00 116.55 123.98 1x49 n ASP 11 Ca 0.12 -3.04 -0.40 0.00 -0.53 0.00 0.00 54.79 50.93 1x49 n ASP 11 Cb 0.60 -1.50 -0.05 0.00 -0.64 0.00 0.00 41.12 39.53 1x49 n ASP 11 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1x49 s THR 12 N 0.61 4.54 -0.02 -3.53 2.01 -1.26 -4.99 115.64 113.00 1x49 s THR 12 Ca 0.40 1.88 -0.25 0.00 0.31 0.00 0.00 61.69 64.03 1x49 s THR 12 Cb -0.01 -4.23 -0.20 0.00 0.01 0.00 0.00 72.50 68.07 1x49 s THR 12 CO -0.00 0.37 1.23 1.55 -0.69 0.00 0.00 174.62 177.07 1x49 h PRO 13 N 5.39 -0.06 -2.51 4.92 0.13 -2.03 -3.36 132.00 134.48 1x49 h PRO 13 Ca -0.44 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.99 1x49 h PRO 13 Cb 1.21 0.01 -0.35 0.00 0.13 0.00 0.00 31.00 32.00 1x49 h PRO 13 CO 0.71 0.41 0.11 0.41 -0.23 0.00 0.00 178.00 179.40 1x49 n GLY 14 N 0.21 5.13 0.00 1.56 0.00 -1.26 -4.78 105.19 106.05 1x49 n GLY 14 Ca -0.08 -2.72 -0.00 0.00 0.00 0.00 0.00 46.02 43.21 1x49 n GLY 14 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1x49 h PHE 15 N 4.62 0.00 -0.59 1.61 3.57 -1.97 -3.33 116.94 120.85 1x49 h PHE 15 Ca 0.22 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.84 1x49 h PHE 15 Cb 0.60 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 39.23 1x49 h PHE 15 CO 0.90 0.00 -0.16 1.88 -2.23 0.00 0.00 178.31 178.70 1x49 h TYR 16 N -0.01 -0.34 -1.07 0.41 0.05 -1.88 0.32 116.97 114.45 1x49 h TYR 16 Ca 0.00 0.05 0.29 0.00 0.05 0.00 0.00 58.73 59.12 1x49 h TYR 16 Cb 0.00 0.24 -0.09 0.00 1.01 0.00 0.00 36.73 37.90 1x49 h TYR 16 CO -0.00 -0.26 0.71 0.52 -1.05 0.00 0.00 178.16 178.07 1x49 h MET 17 N -0.01 0.29 0.01 4.88 2.86 -1.85 0.62 114.93 121.74 1x49 h MET 17 Ca 0.28 -0.02 -0.20 0.00 -2.06 0.00 0.00 59.70 57.71 1x49 h MET 17 Cb 0.44 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1x49 h MET 17 CO -0.62 0.19 -0.92 -0.44 1.06 0.00 0.00 176.91 176.19 1x49 h ASP 18 N 0.30 0.13 0.48 1.22 3.32 -0.50 -3.13 116.42 118.25 1x49 h ASP 18 Ca 0.60 -0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.42 1x49 h ASP 18 Cb 1.69 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 41.18 1x49 h ASP 18 CO -0.25 0.98 -0.51 0.11 -1.72 0.00 0.00 179.24 177.85 1x49 h LYS 19 N 0.05 0.03 0.44 3.56 1.57 0.11 -2.88 116.57 119.45 1x49 h LYS 19 Ca -0.03 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1x49 h LYS 19 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.90 1x49 h LYS 19 CO 0.13 0.54 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.27 1x49 h LEU 20 N 0.03 -0.50 -1.89 2.94 3.38 -1.11 -2.62 115.31 115.53 1x49 h LEU 20 Ca -0.00 -0.07 0.23 0.00 0.09 0.00 0.00 57.88 58.12 1x49 h LEU 20 Cb 0.92 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1x49 h LEU 20 CO 0.07 -0.07 0.58 0.78 0.09 0.00 0.00 178.44 179.88 1x49 h ASN 21 N -1.06 0.09 1.25 -0.43 2.35 -1.60 0.80 115.58 116.98 1x49 h ASN 21 Ca -0.06 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 1x49 h ASN 21 Cb 0.54 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1x49 h ASN 21 CO 0.10 0.04 -0.26 0.11 -1.65 0.00 0.00 177.43 175.76 1x49 h LYS 22 N 0.09 0.00 0.00 0.81 1.57 -1.46 -2.98 116.57 114.59 1x49 h LYS 22 Ca 0.40 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.94 1x49 h LYS 22 Cb 1.45 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.71 1x49 h LYS 22 CO -0.04 0.26 -1.88 0.98 -0.57 0.00 0.00 179.45 178.20 1x49 n TYR 23 N -3.28 0.52 -0.03 -1.35 4.19 0.23 -3.57 117.16 113.87 1x49 n TYR 23 Ca 0.01 0.18 -0.07 0.00 3.31 0.00 0.00 57.90 61.33 1x49 n TYR 23 Cb 0.52 -1.00 0.11 0.00 0.49 0.00 0.00 39.34 39.47 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 0.00 0.63 0.06 2.98 0.11 -0.21 -2.06 114.38 115.89 1x49 h ARG 24 Ca -0.29 -0.28 -0.27 0.00 0.10 0.00 0.00 59.98 59.23 1x49 h ARG 24 Cb 1.81 -0.01 0.02 0.00 1.11 0.00 0.00 29.97 32.89 1x49 h ARG 24 CO 0.04 0.87 -1.12 -0.56 0.10 0.00 0.00 179.97 179.30 1x49 h GLN 25 N 0.54 0.58 0.77 0.08 3.07 -1.69 0.13 115.11 118.59 1x49 h GLN 25 Ca 0.06 -0.71 -0.04 0.00 0.09 0.00 0.00 58.65 58.06 1x49 h GLN 25 Cb 0.81 0.22 0.01 0.00 0.08 0.00 0.00 27.48 28.59 1x49 h GLN 25 CO 0.07 1.30 -0.37 1.98 0.09 0.00 0.00 178.83 181.89 1x49 h MET 26 N 0.29 -1.00 -0.40 0.06 4.05 -1.60 -3.26 114.93 113.08 1x49 h MET 26 Ca -0.14 0.07 -0.16 0.00 -0.28 0.00 0.00 59.70 59.19 1x49 h MET 26 Cb 1.78 0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 32.80 1x49 h MET 26 CO 0.21 -0.67 -0.37 0.45 0.23 0.00 0.00 176.91 176.77 1x49 h HIS 27 N -1.14 1.13 -0.09 1.39 3.86 -1.52 -3.48 115.15 115.32 1x49 h HIS 27 Ca -0.11 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 1x49 h HIS 27 Cb 0.80 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1x49 h HIS 27 CO 0.03 1.17 0.00 0.41 0.86 0.00 0.00 177.93 180.40 1x49 n GLY 28 N 0.11 0.73 3.08 2.45 0.00 0.25 -5.09 105.19 106.73 1x49 n GLY 28 Ca -0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 1x49 n GLY 28 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x49 n VAL 29 N -0.09 0.00 -4.03 1.61 0.24 0.02 -5.01 118.33 111.07 1x49 n VAL 29 Ca 0.00 -1.69 -0.31 0.00 -2.04 0.00 0.00 64.34 60.30 1x49 n VAL 29 Cb 0.03 -0.27 -0.15 0.00 -1.47 0.00 0.00 33.84 31.97 1x49 n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1x49 s ALA 30 N -2.61 2.30 -0.20 2.33 0.00 -1.26 -4.74 121.76 117.58 1x49 s ALA 30 Ca 0.33 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 1x49 s ALA 30 Cb -0.03 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.57 1x49 s ALA 30 CO 0.21 -1.08 0.17 0.42 0.00 0.00 0.00 175.76 175.48 1x49 s ILE 31 N 1.24 5.38 -0.05 0.00 1.01 -1.25 -2.35 121.20 125.18 1x49 s ILE 31 Ca -0.06 0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1x49 s ILE 31 Cb -0.19 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.78 1x49 s ILE 31 CO -0.06 0.42 -0.09 -0.89 0.00 0.00 0.00 174.94 174.31 1x49 s THR 32 N 0.47 0.91 -0.48 2.92 2.01 0.17 -4.92 115.64 116.72 1x49 s THR 32 Ca 0.10 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 1x49 s THR 32 Cb -0.12 -0.85 0.08 0.00 0.01 0.00 0.00 72.50 71.63 1x49 s THR 32 CO 0.00 0.30 0.40 -0.31 -0.69 0.00 0.00 174.62 174.32 1x49 s TYR 33 N 0.66 3.26 0.05 4.92 1.51 -1.26 0.24 117.35 126.72 1x49 s TYR 33 Ca -0.12 -1.07 -0.24 0.00 -1.01 0.00 0.00 57.07 54.63 1x49 s TYR 33 Cb -0.14 -3.27 -0.06 0.00 -0.11 0.00 0.00 41.96 38.37 1x49 s TYR 33 CO 0.02 -0.85 0.74 0.21 -1.11 0.00 0.00 175.55 174.57 1x49 s LYS 34 N 1.61 4.47 -0.31 -0.62 2.20 -0.18 -4.95 119.74 121.96 1x49 s LYS 34 Ca 0.04 1.02 -0.18 0.00 -0.36 0.00 0.00 55.97 56.49 1x49 s LYS 34 Cb -0.25 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.70 1x49 s LYS 34 CO 0.05 0.32 0.51 -2.00 -0.36 0.00 0.00 175.35 173.87 1x49 s GLU 35 N -0.16 3.81 0.71 4.03 2.12 -1.26 -2.67 118.70 125.28 1x49 s GLU 35 Ca 0.37 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.74 1x49 s GLU 35 Cb -0.20 -3.74 0.12 0.00 0.26 0.00 0.00 34.13 30.57 1x49 s GLU 35 CO 0.22 -0.52 0.98 -0.51 -0.54 0.00 0.00 175.26 174.89 1x49 s LEU 36 N 2.36 2.99 0.00 2.70 1.43 -0.99 -5.05 118.68 122.11 1x49 s LEU 36 Ca 0.19 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 1x49 s LEU 36 Cb -0.15 -1.94 0.20 0.00 0.03 0.00 0.00 46.19 44.32 1x49 s LEU 36 CO 0.12 -1.82 0.76 -0.24 0.23 0.00 0.00 176.35 175.40 1x49 n SER 37 N -2.78 -1.47 -4.53 2.29 2.88 -1.26 -4.60 113.62 104.15 1x49 n SER 37 Ca 0.15 -1.01 -0.34 0.00 -1.33 0.00 0.00 58.87 56.35 1x49 n SER 37 Cb 0.61 -0.68 -0.12 0.00 -0.75 0.00 0.00 64.21 63.27 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 -2.44 3.82 0.09 2.46 2.01 -1.26 -3.26 115.64 117.06 1x49 s THR 38 Ca 0.49 -0.40 0.06 0.00 0.31 0.00 0.00 61.69 62.14 1x49 s THR 38 Cb -0.04 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 1x49 s THR 38 CO 0.37 0.54 -0.15 -0.55 -0.69 0.00 0.00 174.62 174.14 1x49 s SER 39 N -0.09 1.85 0.00 3.53 0.15 -0.86 -4.98 113.70 113.30 1x49 s SER 39 Ca 0.02 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1x49 s SER 39 Cb -0.13 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1x49 s SER 39 CO 0.03 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1x49 n GLY 40 N 1.06 0.66 3.67 9.45 0.00 -1.26 -2.16 105.19 116.61 1x49 n GLY 40 Ca -0.20 -2.19 -0.28 0.00 0.00 0.00 0.00 46.02 43.35 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 -0.80 0.31 0.04 1.61 0.04 -1.17 -4.94 135.00 130.08 1x49 s PRO 41 Ca 0.00 0.48 -0.21 0.00 0.04 0.00 0.00 61.00 61.31 1x49 s PRO 41 Cb 0.00 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.67 1x49 s PRO 41 CO 0.00 -2.81 1.34 -1.00 0.04 0.00 0.00 177.00 174.57 1x49 h PRO 42 N -1.95 0.34 0.55 0.56 0.13 -2.02 -3.32 132.00 126.29 1x49 h PRO 42 Ca -0.55 -0.18 -0.03 0.00 -0.87 0.00 0.00 66.00 64.37 1x49 h PRO 42 Cb 1.33 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.48 1x49 h PRO 42 CO 0.58 0.73 -0.26 1.12 -0.23 0.00 0.00 178.00 179.93 1x49 h HIS 43 N -0.04 -0.68 -3.59 1.56 2.07 -2.05 -3.40 115.15 109.03 1x49 h HIS 43 Ca 0.02 -0.02 -0.67 0.00 -2.85 0.00 0.00 60.37 56.85 1x49 h HIS 43 Cb 0.67 0.22 -0.27 0.00 2.57 0.00 0.00 27.41 30.61 1x49 h HIS 43 CO 0.08 -0.42 -0.64 0.34 -3.07 0.00 0.00 177.93 174.23 1x49 s ASP 44 N -4.56 5.03 -0.19 3.10 -1.08 -1.25 -5.09 116.67 112.64 1x49 s ASP 44 Ca -0.17 -0.70 -0.09 0.00 -0.52 0.00 0.00 52.55 51.08 1x49 s ASP 44 Cb 0.04 -1.86 -0.05 0.00 -1.46 0.00 0.00 42.92 39.59 1x49 s ASP 44 CO 0.62 -0.17 0.11 -0.13 0.52 0.00 0.00 175.17 176.12 1x49 s ARG 45 N 1.49 4.06 -0.25 4.34 1.81 -1.25 -3.07 118.95 126.08 1x49 s ARG 45 Ca 0.03 -0.25 -0.06 0.00 -1.72 0.00 0.00 55.73 53.72 1x49 s ARG 45 Cb -0.17 -3.34 -0.02 0.00 -0.45 0.00 0.00 34.95 30.97 1x49 s ARG 45 CO 0.02 0.34 0.04 1.03 -0.68 0.00 0.00 175.30 176.04 1x49 s ARG 46 N 0.24 3.52 -0.19 3.54 1.81 -0.92 -4.85 118.95 122.11 1x49 s ARG 46 Ca 0.07 -0.56 -0.21 0.00 -1.72 0.00 0.00 55.73 53.32 1x49 s ARG 46 Cb -0.11 -3.25 -0.03 0.00 -0.45 0.00 0.00 34.95 31.11 1x49 s ARG 46 CO -0.01 -0.22 0.62 -0.06 -0.68 0.00 0.00 175.30 174.95 1x49 s PHE 47 N 1.57 3.38 0.02 -0.53 0.08 -1.00 -2.02 117.98 119.48 1x49 s PHE 47 Ca 0.06 0.92 -0.14 0.00 0.12 0.00 0.00 56.93 57.89 1x49 s PHE 47 Cb -0.15 -2.78 -0.06 0.00 -0.57 0.00 0.00 43.02 39.46 1x49 s PHE 47 CO 0.02 -0.15 0.42 0.99 -0.10 0.00 0.00 175.22 176.39 1x49 s THR 48 N 1.83 5.01 0.08 0.64 2.01 -1.20 -2.06 115.64 121.95 1x49 s THR 48 Ca 0.29 0.81 -0.02 0.00 0.31 0.00 0.00 61.69 63.07 1x49 s THR 48 Cb -0.16 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1x49 s THR 48 CO 0.10 0.52 0.02 -0.36 -0.69 0.00 0.00 174.62 174.22 1x49 s PHE 49 N -1.14 0.55 0.01 4.92 0.40 -0.30 -2.34 117.98 120.08 1x49 s PHE 49 Ca 0.26 -1.04 -0.16 0.00 -0.60 0.00 0.00 56.93 55.38 1x49 s PHE 49 Cb -0.16 -0.36 0.03 0.00 0.51 0.00 0.00 43.02 43.03 1x49 s PHE 49 CO 0.15 -0.44 0.36 1.14 0.70 0.00 0.00 175.22 177.12 1x49 s GLN 50 N -3.94 0.80 0.15 0.44 -2.07 -1.09 -0.09 119.66 113.85 1x49 s GLN 50 Ca 0.11 -0.29 0.08 0.00 -1.82 0.00 0.00 55.36 53.43 1x49 s GLN 50 Cb 0.07 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.31 1x49 s GLN 50 CO -0.07 -0.25 -0.08 0.08 -1.32 0.00 0.00 175.29 173.66 1x49 s VAL 51 N -1.94 3.39 -0.19 3.63 1.01 -1.26 -1.01 120.40 124.03 1x49 s VAL 51 Ca -0.09 -1.44 -0.01 0.00 0.00 0.00 0.00 61.98 60.44 1x49 s VAL 51 Cb -0.03 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.76 1x49 s VAL 51 CO 0.01 -0.02 -0.01 -0.76 0.00 0.00 0.00 175.10 174.33 1x49 s LEU 52 N -2.59 1.59 -0.18 3.92 1.02 0.14 -2.49 118.68 120.08 1x49 s LEU 52 Ca 0.24 -0.83 -0.02 0.00 0.02 0.00 0.00 54.13 53.54 1x49 s LEU 52 Cb -0.10 -0.80 -0.01 0.00 0.02 0.00 0.00 46.19 45.30 1x49 s LEU 52 CO 0.15 -0.25 -0.09 -0.63 0.02 0.00 0.00 176.35 175.55 1x49 s ILE 53 N 1.70 3.11 -1.26 -0.59 1.01 -1.20 -0.65 121.20 123.32 1x49 s ILE 53 Ca -0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 1x49 s ILE 53 Cb -0.17 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 39.94 1x49 s ILE 53 CO -0.07 0.47 1.09 -0.67 0.00 0.00 0.00 174.94 175.76 1x49 n ASP 54 N 4.33 -4.97 -1.91 3.58 -0.08 -0.99 -1.75 116.55 114.76 1x49 n ASP 54 Ca -0.19 -0.54 -0.17 0.00 -1.51 0.00 0.00 54.79 52.38 1x49 n ASP 54 Cb 0.51 -4.89 -0.01 0.00 2.34 0.00 0.00 41.12 39.07 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 -4.59 -1.35 -4.05 -0.67 -0.58 -1.26 -4.99 120.64 103.14 1x49 n GLU 55 Ca -0.08 0.84 -0.31 0.00 -0.42 0.00 0.00 57.16 57.19 1x49 n GLU 55 Cb 0.59 -5.27 -0.06 0.00 -0.57 0.00 0.00 31.44 26.13 1x49 n GLU 55 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1x49 s LYS 56 N -4.78 2.99 -0.41 3.49 2.20 -0.72 -5.09 119.74 117.43 1x49 s LYS 56 Ca 0.00 -0.60 -0.10 0.00 -0.36 0.00 0.00 55.97 54.91 1x49 s LYS 56 Cb 0.00 -2.80 0.07 0.00 -1.51 0.00 0.00 37.83 33.59 1x49 s LYS 56 CO 0.00 0.60 0.25 -1.21 -0.36 0.00 0.00 175.35 174.63 1x49 s GLU 57 N -2.19 2.67 0.45 4.03 2.02 -1.26 -3.22 118.70 121.19 1x49 s GLU 57 Ca 0.28 -1.38 -0.07 0.00 0.02 0.00 0.00 54.97 53.82 1x49 s GLU 57 Cb -0.12 -3.79 -0.05 0.00 0.10 0.00 0.00 34.13 30.27 1x49 s GLU 57 CO 0.20 -0.91 0.78 -0.06 0.02 0.00 0.00 175.26 175.29 1x49 s PHE 58 N 1.46 3.53 -0.46 1.61 0.40 -1.04 -5.00 117.98 118.48 1x49 s PHE 58 Ca 0.03 0.90 -0.28 0.00 -0.60 0.00 0.00 56.93 56.98 1x49 s PHE 58 Cb -0.22 -2.36 -0.01 0.00 0.51 0.00 0.00 43.02 40.94 1x49 s PHE 58 CO 0.03 -0.21 1.76 -1.25 0.70 0.00 0.00 175.22 176.26 1x49 s PRO 59 N -4.37 3.08 0.97 0.24 0.04 -1.26 -4.61 135.00 129.08 1x49 s PRO 59 Ca 0.49 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1x49 s PRO 59 Cb -0.10 -4.25 0.05 0.00 0.04 0.00 0.00 34.50 30.24 1x49 s PRO 59 CO 0.40 -2.17 -0.20 -0.85 0.04 0.00 0.00 177.00 174.21 1x49 n GLU 60 N 8.69 -1.34 -3.67 4.56 0.00 -1.26 -4.87 120.64 122.76 1x49 n GLU 60 Ca 0.21 -0.39 -0.11 0.00 0.00 0.00 0.00 57.16 56.87 1x49 n GLU 60 Cb 0.49 -1.37 -0.05 0.00 0.00 0.00 0.00 31.44 30.51 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 -0.89 0.08 -1.84 0.00 0.87 -4.88 121.76 113.00 1x49 s ALA 61 Ca 0.37 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1x49 s ALA 61 Cb -0.03 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 1x49 s ALA 61 CO 0.44 -0.56 0.29 0.15 0.00 0.00 0.00 175.76 176.08 1x49 s LYS 62 N -3.32 3.55 0.08 0.00 1.02 -1.26 -1.15 119.74 118.66 1x49 s LYS 62 Ca 0.00 -0.20 -0.09 0.00 0.02 0.00 0.00 55.97 55.70 1x49 s LYS 62 Cb 0.01 -2.98 -0.00 0.00 -0.52 0.00 0.00 37.83 34.34 1x49 s LYS 62 CO -0.08 0.57 0.20 0.20 -0.92 0.00 0.00 175.35 175.31 1x49 s GLY 63 N -2.24 0.08 0.04 -3.33 0.00 -0.88 -4.76 107.32 96.22 1x49 s GLY 63 Ca 0.35 -0.56 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 1x49 s GLY 63 CO 0.23 -0.75 1.48 -0.09 0.00 0.00 0.00 173.10 173.97 1x49 h ARG 64 N 2.83 -0.13 -6.39 2.90 1.12 -1.87 -2.66 114.38 110.17 1x49 h ARG 64 Ca -0.34 0.01 -0.62 0.00 -1.11 0.00 0.00 59.98 57.92 1x49 h ARG 64 Cb 1.20 0.03 -0.15 0.00 -0.01 0.00 0.00 29.97 31.04 1x49 h ARG 64 CO 0.55 0.11 -0.76 0.45 -3.11 0.00 0.00 179.97 177.21 1x49 s SER 65 N -5.28 3.81 0.28 -3.80 0.15 -1.26 -4.59 113.70 103.01 1x49 s SER 65 Ca -0.15 -0.83 -0.08 0.00 0.70 0.00 0.00 55.95 55.60 1x49 s SER 65 Cb 0.04 -0.45 0.47 0.00 -1.71 0.00 0.00 66.02 64.37 1x49 s SER 65 CO 0.64 0.07 1.56 0.11 1.20 0.00 0.00 173.24 176.83 1x49 h LYS 66 N 2.66 0.00 0.23 5.44 1.79 -1.90 0.80 116.57 125.58 1x49 h LYS 66 Ca -0.44 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.02 1x49 h LYS 66 Cb 1.23 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1x49 h LYS 66 CO 0.55 0.00 -0.11 0.37 -1.08 0.00 0.00 179.45 179.18 1x49 h GLN 67 N 0.00 -0.29 -1.07 3.15 5.75 -1.97 -3.09 115.11 117.59 1x49 h GLN 67 Ca 0.48 0.02 0.35 0.00 -0.15 0.00 0.00 58.65 59.36 1x49 h GLN 67 Cb 0.76 0.07 -0.14 0.00 1.07 0.00 0.00 27.48 29.23 1x49 h GLN 67 CO -1.02 0.06 0.64 1.49 -2.65 0.00 0.00 178.83 177.36 1x49 h GLU 68 N -0.73 0.23 -0.04 1.69 4.57 -1.35 0.29 114.58 119.24 1x49 h GLU 68 Ca -0.03 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1x49 h GLU 68 Cb 0.49 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1x49 h GLU 68 CO 0.05 0.15 0.02 0.00 -1.18 0.00 0.00 179.01 178.05 1x49 h ALA 69 N 1.79 0.05 -0.79 2.92 0.00 -0.88 -2.65 119.26 119.71 1x49 h ALA 69 Ca 0.76 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.77 1x49 h ALA 69 Cb 1.93 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 19.57 1x49 h ALA 69 CO -0.56 -0.36 0.09 0.00 0.00 0.00 0.00 179.25 178.42 1x49 h ARG 70 N -0.10 0.15 -0.03 0.00 3.08 -0.34 0.26 114.38 117.40 1x49 h ARG 70 Ca 0.01 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x49 h ARG 70 Cb 0.17 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1x49 h ARG 70 CO -0.00 0.10 0.01 -0.97 -1.07 0.00 0.00 179.97 178.04 1x49 h ASN 71 N 0.15 0.03 -0.55 7.04 -1.24 -1.36 -1.98 115.58 117.68 1x49 h ASN 71 Ca 0.45 -0.10 0.10 0.00 0.71 0.00 0.00 56.30 57.46 1x49 h ASN 71 Cb 0.84 -0.01 -0.08 0.00 0.73 0.00 0.00 38.32 39.80 1x49 h ASN 71 CO -0.65 0.13 0.11 0.00 -1.29 0.00 0.00 177.43 175.72 1x49 h ALA 72 N 0.91 0.63 -0.78 1.57 0.00 -0.66 -0.10 119.26 120.83 1x49 h ALA 72 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1x49 h ALA 72 Cb 0.10 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1x49 h ALA 72 CO -0.00 -0.31 0.43 0.00 0.00 0.00 0.00 179.25 179.37 1x49 h ALA 73 N 1.44 1.29 -0.32 0.00 0.00 -0.96 -2.30 119.26 118.42 1x49 h ALA 73 Ca 0.28 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1x49 h ALA 73 Cb 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1x49 h ALA 73 CO -0.37 0.58 -0.18 0.00 0.00 0.00 0.00 179.25 179.27 1x49 h ALA 74 N 1.39 1.09 -0.43 0.00 0.00 -0.36 -3.05 119.26 117.90 1x49 h ALA 74 Ca 0.28 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1x49 h ALA 74 Cb 0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.58 1x49 h ALA 74 CO -0.05 0.56 -0.17 -0.22 0.00 0.00 0.00 179.25 179.37 1x49 h LYS 75 N 0.52 -0.08 -0.65 0.00 3.64 -0.48 0.23 116.57 119.75 1x49 h LYS 75 Ca 0.08 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1x49 h LYS 75 Cb 0.61 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1x49 h LYS 75 CO 0.04 -0.05 0.22 -0.07 -2.27 0.00 0.00 179.45 177.32 1x49 h LEU 76 N -0.08 0.91 0.53 5.20 3.38 -1.56 -1.72 115.31 121.96 1x49 h LEU 76 Ca 0.21 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1x49 h LEU 76 Cb 0.40 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1x49 h LEU 76 CO -0.49 0.84 -0.25 0.00 0.09 0.00 0.00 178.44 178.63 1x49 h ALA 77 N 1.28 -1.01 -0.71 1.53 0.00 -0.99 -2.31 119.26 117.06 1x49 h ALA 77 Ca 0.21 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.12 1x49 h ALA 77 Cb 0.25 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.21 1x49 h ALA 77 CO -0.01 -0.96 0.14 0.28 0.00 0.00 0.00 179.25 178.70 1x49 h VAL 78 N -0.82 0.52 -0.81 0.00 2.07 -0.65 0.25 116.25 116.80 1x49 h VAL 78 Ca -0.07 -0.08 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1x49 h VAL 78 Cb 0.54 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 1x49 h VAL 78 CO 0.12 0.04 0.53 0.44 0.02 0.00 0.00 177.57 178.72 1x49 h ASP 79 N 0.24 0.63 0.25 0.57 5.19 -1.31 -2.34 116.42 119.65 1x49 h ASP 79 Ca 0.39 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.82 1x49 h ASP 79 Cb 0.66 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.07 1x49 h ASP 79 CO -0.51 0.36 -0.12 0.40 -3.12 0.00 0.00 179.24 176.25 1x49 h ILE 80 N 0.69 0.58 -0.84 0.35 2.04 0.02 -3.32 117.51 117.04 1x49 h ILE 80 Ca 0.39 -0.91 0.14 0.00 1.00 0.00 0.00 64.86 65.47 1x49 h ILE 80 Cb 0.55 0.96 -0.15 0.00 -0.74 0.00 0.00 36.82 37.44 1x49 h ILE 80 CO -0.15 0.14 -0.34 -0.07 0.00 0.00 0.00 178.15 177.73 1x49 h LEU 81 N -0.93 -1.23 -0.92 1.44 3.38 -0.90 0.55 115.31 116.70 1x49 h LEU 81 Ca -0.03 0.27 0.36 0.00 0.09 0.00 0.00 57.88 58.57 1x49 h LEU 81 Cb 0.49 0.66 -0.14 0.00 0.09 0.00 0.00 40.66 41.76 1x49 h LEU 81 CO 0.06 -0.29 0.53 -0.67 0.09 0.00 0.00 178.44 178.15 1x49 n ASP 82 N -5.48 0.25 -0.08 -0.43 2.03 -0.91 0.13 116.55 112.07 1x49 n ASP 82 Ca 0.09 1.30 -0.08 0.00 0.52 0.00 0.00 54.79 56.61 1x49 n ASP 82 Cb 0.39 -0.63 -0.16 0.00 -0.72 0.00 0.00 41.12 40.00 1x49 n ASP 82 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1x49 n ASN 83 N -4.70 0.16 -3.70 1.67 5.15 0.15 -5.00 115.26 108.98 1x49 n ASN 83 Ca 0.32 0.07 -0.25 0.00 -0.60 0.00 0.00 54.58 54.12 1x49 n ASN 83 Cb 1.13 0.88 0.06 0.00 -0.53 0.00 0.00 39.78 41.32 1x49 n ASN 83 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1x49 n GLU 84 N -2.77 -6.62 -1.29 1.20 -0.58 0.35 -4.83 120.64 106.11 1x49 n GLU 84 Ca -0.28 0.73 -0.38 0.00 -0.42 0.00 0.00 57.16 56.81 1x49 n GLU 84 Cb 1.10 -5.66 -0.03 0.00 -0.57 0.00 0.00 31.44 26.28 1x49 n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1x49 n ASN 85 N -2.97 4.54 -4.71 1.62 2.85 -1.26 -4.94 115.26 110.38 1x49 n ASN 85 Ca -0.05 -2.64 -0.40 0.00 -0.11 0.00 0.00 54.58 51.37 1x49 n ASN 85 Cb 0.58 -1.37 0.02 0.00 1.24 0.00 0.00 39.78 40.25 1x49 n ASN 85 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1x49 n LYS 86 N 5.56 1.82 -1.41 1.20 4.76 -1.26 -4.76 118.16 124.07 1x49 n LYS 86 Ca 0.55 0.66 -0.55 0.00 -2.87 0.00 0.00 58.31 56.09 1x49 n LYS 86 Cb 0.32 -2.43 -0.08 0.00 -1.84 0.00 0.00 35.03 31.00 1x49 n LYS 86 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1x49 n VAL 87 N -0.51 0.00 -2.18 -0.18 0.24 -1.26 -4.84 118.33 109.61 1x49 n VAL 87 Ca 0.08 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.00 1x49 n VAL 87 Cb 0.41 -0.35 -0.01 0.00 -1.47 0.00 0.00 33.84 32.43 1x49 n VAL 87 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1x49 s ASP 88 N 2.12 6.19 0.42 -1.34 1.47 -1.26 -5.05 116.67 119.22 1x49 s ASP 88 Ca 0.85 2.43 0.03 0.00 1.18 0.00 0.00 52.55 57.04 1x49 s ASP 88 Cb -1.21 -2.62 -0.04 0.00 -0.34 0.00 0.00 42.92 38.72 1x49 s ASP 88 CO 0.64 -0.92 0.06 0.00 0.68 0.00 0.00 175.17 175.63 1x49 s HIS 90 N -3.04 3.19 -0.38 0.00 3.76 -1.26 -5.04 115.29 112.51 1x49 s HIS 90 Ca 0.23 -0.53 -0.15 0.00 -0.15 0.00 0.00 55.06 54.45 1x49 s HIS 90 Cb 0.05 -2.93 0.00 0.00 1.11 0.00 0.00 32.58 30.81 1x49 s HIS 90 CO 0.12 -0.72 0.36 0.99 -0.85 0.00 0.00 174.74 174.63 1x49 s THR 91 N 1.99 5.17 -0.36 1.30 2.01 -1.26 -5.04 115.64 119.45 1x49 s THR 91 Ca 0.09 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.61 1x49 s THR 91 Cb -0.19 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.45 1x49 s THR 91 CO 0.11 -0.21 1.00 -0.55 -0.69 0.00 0.00 174.62 174.28 1x49 s SER 92 N 1.75 6.76 0.00 3.53 0.15 -1.26 -4.86 113.70 119.77 1x49 s SER 92 Ca 0.10 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.49 1x49 s SER 92 Cb -0.17 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1x49 s SER 92 CO 0.12 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1x49 n GLY 93 N 4.24 2.34 0.00 9.45 0.00 -1.26 -4.68 105.19 115.28 1x49 n GLY 93 Ca 0.09 -1.97 0.06 0.00 0.00 0.00 0.00 46.02 44.20 1x49 n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x49 n PRO 94 N 0.92 0.49 -1.41 1.61 -0.04 -1.26 -4.86 135.00 130.44 1x49 n PRO 94 Ca 0.00 0.00 -0.57 0.00 -0.04 0.00 0.00 63.50 62.89 1x49 n PRO 94 Cb 0.00 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.99 1x49 n PRO 94 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x49 n SER 95 N -0.88 0.96 -0.08 3.54 7.64 -1.26 -4.85 113.62 118.68 1x49 n SER 95 Ca 0.09 0.93 -0.14 0.00 1.01 0.00 0.00 58.87 60.77 1x49 n SER 95 Cb 0.04 -0.76 -0.09 0.00 -1.01 0.00 0.00 64.21 62.40 1x49 n SER 95 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x49 h SER 96 N 4.98 0.00 -0.01 6.43 0.02 -2.01 -3.51 113.55 119.46 1x49 h SER 96 Ca -0.32 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 1x49 h SER 96 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1x49 h SER 96 CO 0.86 1.08 0.00 0.61 -1.14 0.00 0.00 176.83 178.24