#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1flt s VAL 14 N 0.00 4.53 -0.03 6.31 1.01 -1.26 -5.01 120.40 125.95 1flt s VAL 14 Ca 0.00 1.96 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 1flt s VAL 14 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1flt s VAL 14 CO 0.00 0.34 1.23 -0.69 0.00 0.00 0.00 175.10 175.98 1flt s VAL 15 N -0.11 4.14 0.55 2.92 1.01 -1.26 -5.00 120.40 122.65 1flt s VAL 15 Ca 0.44 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.72 1flt s VAL 15 Cb -0.23 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1flt s VAL 15 CO 0.28 0.02 1.15 -0.54 0.00 0.00 0.00 175.10 176.01 1flt s LYS 16 N 2.06 3.30 0.19 2.72 -0.14 -1.26 -4.81 119.74 121.80 1flt s LYS 16 Ca 0.57 1.67 -0.17 0.00 -1.36 0.00 0.00 55.97 56.68 1flt s LYS 16 Cb -0.26 -2.01 0.17 0.00 -1.68 0.00 0.00 37.83 34.05 1flt s LYS 16 CO 0.24 -0.91 1.61 0.35 -0.76 0.00 0.00 175.35 175.89 1flt h PHE 17 N 1.18 -0.56 -0.78 3.18 3.57 -2.00 -1.51 116.94 120.03 1flt h PHE 17 Ca -0.50 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.11 1flt h PHE 17 Cb 1.27 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 40.30 1flt h PHE 17 CO 0.50 -0.31 0.51 0.52 -2.23 0.00 0.00 178.31 177.30 1flt h MET 18 N -0.09 0.86 -0.27 1.11 2.86 -1.99 -0.26 114.93 117.15 1flt h MET 18 Ca 0.26 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.75 1flt h MET 18 Cb 0.49 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1flt h MET 18 CO -0.62 0.57 -0.23 -0.44 1.06 0.00 0.00 176.91 177.24 1flt h ASP 19 N 0.88 0.67 -0.11 1.22 3.32 -1.67 -0.91 116.42 119.81 1flt h ASP 19 Ca 0.32 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1flt h ASP 19 Cb 0.16 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1flt h ASP 19 CO -0.11 0.98 0.06 0.58 -1.72 0.00 0.00 179.24 179.04 1flt h VAL 20 N 0.36 1.09 -0.17 -1.35 2.07 -1.00 -0.99 116.25 116.26 1flt h VAL 20 Ca 0.05 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1flt h VAL 20 Cb 0.78 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1flt h VAL 20 CO 0.06 0.08 0.03 0.22 0.02 0.00 0.00 177.57 177.98 1flt h TYR 21 N 0.09 0.06 -0.41 1.57 5.03 -1.01 -1.98 116.97 120.31 1flt h TYR 21 Ca 0.04 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 1flt h TYR 21 Cb 0.07 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.33 1flt h TYR 21 CO -0.04 0.02 0.07 1.96 -1.32 0.00 0.00 178.16 178.85 1flt h GLN 22 N 0.10 0.68 0.00 1.82 4.20 -1.08 -2.60 115.11 118.23 1flt h GLN 22 Ca 0.07 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1flt h GLN 22 Cb 0.06 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1flt h GLN 22 CO -0.10 0.72 -0.14 0.00 -0.67 0.00 0.00 178.83 178.64 1flt h ARG 23 N 0.53 0.00 0.00 1.46 3.08 -1.13 -3.22 114.38 115.10 1flt h ARG 23 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 1flt h ARG 23 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1flt h ARG 23 CO 0.01 0.14 -1.57 -1.13 -1.07 0.00 0.00 179.97 176.35 1flt n SER 24 N -3.37 0.38 -4.74 7.04 3.41 -0.75 -4.96 113.62 110.63 1flt n SER 24 Ca -0.00 0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.33 1flt n SER 24 Cb 0.34 1.30 -0.02 0.00 -0.26 0.00 0.00 64.21 65.57 1flt n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1flt n TYR 25 N -2.45 2.78 -0.32 7.33 9.36 -0.99 -1.77 117.16 131.10 1flt n TYR 25 Ca -0.03 0.28 -0.13 0.00 3.32 0.00 0.00 57.90 61.35 1flt n TYR 25 Cb 0.57 -2.58 -0.02 0.00 -0.63 0.00 0.00 39.34 36.68 1flt n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1flt s HIS 27 N 0.54 -0.19 -0.06 0.00 -3.43 -0.19 -4.89 115.29 107.07 1flt s HIS 27 Ca 0.19 0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 54.24 1flt s HIS 27 Cb -0.28 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.37 1flt s HIS 27 CO 0.15 -0.38 1.44 -2.14 -2.00 0.00 0.00 174.74 171.81 1flt s PRO 28 N -2.73 4.24 0.07 -0.38 0.02 -1.26 -1.32 135.00 133.64 1flt s PRO 28 Ca 0.09 1.95 0.05 0.00 0.02 0.00 0.00 61.00 63.11 1flt s PRO 28 Cb -0.00 -3.73 -0.03 0.00 0.02 0.00 0.00 34.50 30.75 1flt s PRO 28 CO -0.05 -0.68 -0.13 -1.50 -0.33 0.00 0.00 177.00 174.30 1flt s ILE 29 N 3.11 1.05 0.04 2.83 2.07 0.16 -4.85 121.20 125.60 1flt s ILE 29 Ca 0.64 -1.33 -0.30 0.00 -1.41 0.00 0.00 60.65 58.25 1flt s ILE 29 Cb -0.29 -1.07 -0.08 0.00 0.13 0.00 0.00 42.46 41.15 1flt s ILE 29 CO 0.24 -0.28 1.75 -0.70 -1.91 0.00 0.00 174.94 174.04 1flt s GLU 30 N -1.85 4.17 -0.03 3.50 2.12 -1.26 -1.27 118.70 124.08 1flt s GLU 30 Ca -0.02 2.39 0.04 0.00 0.36 0.00 0.00 54.97 57.75 1flt s GLU 30 Cb -0.09 -3.82 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 1flt s GLU 30 CO 0.02 -0.83 -0.16 0.99 -0.54 0.00 0.00 175.26 174.74 1flt s THR 31 N 3.42 1.31 -0.50 -1.70 2.01 0.70 -4.94 115.64 115.93 1flt s THR 31 Ca 0.78 -0.67 -0.20 0.00 0.31 0.00 0.00 61.69 61.91 1flt s THR 31 Cb -0.40 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.05 1flt s THR 31 CO 0.34 0.38 0.66 -0.76 -0.69 0.00 0.00 174.62 174.55 1flt s LEU 32 N -0.09 4.82 -0.20 4.42 1.43 -1.26 -0.98 118.68 126.82 1flt s LEU 32 Ca -0.00 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.21 1flt s LEU 32 Cb -0.09 -2.51 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 1flt s LEU 32 CO 0.01 -0.91 0.12 -0.69 0.23 0.00 0.00 176.35 175.11 1flt s VAL 33 N 2.78 5.36 0.14 -1.59 1.01 -0.43 -4.86 120.40 122.81 1flt s VAL 33 Ca 0.17 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1flt s VAL 33 Cb -0.18 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1flt s VAL 33 CO 0.13 0.45 1.17 -0.62 0.00 0.00 0.00 175.10 176.23 1flt s ASP 34 N 0.32 7.13 0.39 3.32 -1.08 -1.26 -0.75 116.67 124.74 1flt s ASP 34 Ca 0.08 2.11 0.07 0.00 -0.52 0.00 0.00 52.55 54.29 1flt s ASP 34 Cb -0.11 -2.60 0.81 0.00 -1.46 0.00 0.00 42.92 39.56 1flt s ASP 34 CO -0.02 -0.37 2.01 0.40 0.52 0.00 0.00 175.17 177.72 1flt h ILE 35 N 4.02 1.13 -0.47 4.11 2.04 -1.21 -1.99 117.51 125.15 1flt h ILE 35 Ca -0.43 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1flt h ILE 35 Cb 1.21 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1flt h ILE 35 CO 0.76 0.15 0.17 0.15 0.00 0.00 0.00 178.15 179.37 1flt h PHE 36 N 0.52 0.68 -0.14 1.37 3.57 -1.83 -0.86 116.94 120.25 1flt h PHE 36 Ca 0.13 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1flt h PHE 36 Cb 0.05 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1flt h PHE 36 CO 0.00 0.55 -0.21 0.37 -2.23 0.00 0.00 178.31 176.79 1flt h GLN 37 N 0.67 0.23 0.00 1.11 4.15 -1.75 -2.35 115.11 117.18 1flt h GLN 37 Ca 0.16 -0.07 -0.21 0.00 0.77 0.00 0.00 58.65 59.30 1flt h GLN 37 Cb 0.17 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.80 1flt h GLN 37 CO -0.01 0.44 -1.29 0.93 -1.93 0.00 0.00 178.83 176.97 1flt h GLU 38 N 0.21 0.00 -2.21 1.69 4.39 -1.31 -3.39 114.58 113.97 1flt h GLU 38 Ca 0.04 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.15 1flt h GLU 38 Cb 0.51 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.75 1flt h GLU 38 CO 0.03 0.57 -0.83 0.66 -1.16 0.00 0.00 179.01 178.28 1flt n TYR 39 N -3.10 1.60 0.19 4.33 4.01 -0.39 -4.95 117.16 118.84 1flt n TYR 39 Ca -0.08 -3.86 0.06 0.00 -0.16 0.00 0.00 57.90 53.87 1flt n TYR 39 Cb 0.93 -0.41 0.31 0.00 -0.31 0.00 0.00 39.34 39.86 1flt n TYR 39 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1flt n PRO 40 N 1.35 0.07 -0.06 -0.72 -0.04 -0.90 -2.09 135.00 132.62 1flt n PRO 40 Ca 0.25 0.49 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 1flt n PRO 40 Cb 0.46 -1.70 0.14 0.00 -0.04 0.00 0.00 33.50 32.35 1flt n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1flt n ASP 41 N -1.85 3.14 -4.39 3.54 8.00 -1.26 -4.61 116.55 119.12 1flt n ASP 41 Ca 0.00 -2.00 -0.45 0.00 0.71 0.00 0.00 54.79 53.05 1flt n ASP 41 Cb 0.07 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 1flt n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1flt s GLU 42 N -1.85 3.85 0.00 -1.24 0.41 -0.89 -4.71 118.70 114.27 1flt s GLU 42 Ca 0.31 -2.49 0.13 0.00 -0.41 0.00 0.00 54.97 52.52 1flt s GLU 42 Cb 0.21 -4.72 0.12 0.00 -1.78 0.00 0.00 34.13 27.96 1flt s GLU 42 CO 0.31 -1.50 0.95 0.44 -0.49 0.00 0.00 175.26 174.96 1flt n ILE 43 N 4.19 0.06 0.84 -1.63 -5.35 -1.26 -4.58 119.36 111.63 1flt n ILE 43 Ca 0.24 -0.53 0.12 0.00 -0.27 0.00 0.00 62.75 62.31 1flt n ILE 43 Cb 0.45 1.24 0.19 0.00 -1.74 0.00 0.00 39.64 39.77 1flt n ILE 43 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1flt n GLU 44 N 0.76 0.11 -4.32 6.28 -0.58 -1.26 -4.94 120.64 116.68 1flt n GLU 44 Ca 0.08 0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.67 1flt n GLU 44 Cb 0.34 -1.56 -0.10 0.00 -0.57 0.00 0.00 31.44 29.56 1flt n GLU 44 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1flt s TYR 45 N -3.07 1.54 -0.16 -0.32 1.51 -1.26 -4.36 117.35 111.24 1flt s TYR 45 Ca 0.09 -0.81 -0.05 0.00 -1.01 0.00 0.00 57.07 55.29 1flt s TYR 45 Cb 0.16 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 41.13 1flt s TYR 45 CO 0.72 0.08 0.01 0.42 -1.11 0.00 0.00 175.55 175.68 1flt s ILE 46 N -3.29 4.37 -0.07 2.71 1.01 0.17 -4.89 121.20 121.21 1flt s ILE 46 Ca 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1flt s ILE 46 Cb 0.04 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1flt s ILE 46 CO 0.06 0.50 0.14 -0.36 0.00 0.00 0.00 174.94 175.28 1flt s PHE 47 N 0.18 3.52 -0.14 3.97 0.08 -1.26 -0.58 117.98 123.74 1flt s PHE 47 Ca 0.01 0.42 -0.02 0.00 0.12 0.00 0.00 56.93 57.46 1flt s PHE 47 Cb -0.13 -1.87 0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1flt s PHE 47 CO 0.02 0.67 0.02 0.21 -0.10 0.00 0.00 175.22 176.03 1flt s LYS 48 N -1.38 0.68 0.87 0.44 2.20 0.29 -3.07 119.74 119.76 1flt s LYS 48 Ca 0.20 -0.18 -0.11 0.00 -0.36 0.00 0.00 55.97 55.51 1flt s LYS 48 Cb -0.12 -1.59 0.11 0.00 -1.51 0.00 0.00 37.83 34.72 1flt s LYS 48 CO 0.10 -0.48 1.09 -1.25 -0.36 0.00 0.00 175.35 174.45 1flt s PRO 49 N 1.90 1.48 0.00 4.03 0.04 -1.26 -1.07 135.00 140.12 1flt s PRO 49 Ca 0.02 0.89 0.27 0.00 0.04 0.00 0.00 61.00 62.22 1flt s PRO 49 Cb -0.15 -1.83 0.90 0.00 0.04 0.00 0.00 34.50 33.46 1flt s PRO 49 CO -0.07 -2.11 1.65 -1.13 0.04 0.00 0.00 177.00 175.39 1flt n SER 50 N -3.80 1.41 -3.89 6.66 3.41 -1.17 -4.85 113.62 111.38 1flt n SER 50 Ca 0.07 -1.32 -0.09 0.00 -0.26 0.00 0.00 58.87 57.28 1flt n SER 50 Cb 0.55 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1flt n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1flt s VAL 52 N -3.89 0.37 -0.30 0.00 -7.23 0.07 -4.89 120.40 104.53 1flt s VAL 52 Ca 0.09 -1.11 -0.28 0.00 -1.81 0.00 0.00 61.98 58.87 1flt s VAL 52 Cb 0.05 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.40 1flt s VAL 52 CO -0.08 -0.49 1.01 -2.16 -0.31 0.00 0.00 175.10 173.07 1flt s PRO 53 N -1.80 4.08 0.04 4.82 0.04 -1.26 -1.31 135.00 139.60 1flt s PRO 53 Ca -0.10 1.02 0.03 0.00 0.04 0.00 0.00 61.00 61.99 1flt s PRO 53 Cb -0.08 -3.72 -0.02 0.00 0.04 0.00 0.00 34.50 30.72 1flt s PRO 53 CO -0.01 -0.81 -0.10 -0.51 0.04 0.00 0.00 177.00 175.61 1flt s LEU 54 N 3.43 2.19 -0.16 -3.56 1.43 -0.16 -4.93 118.68 116.93 1flt s LEU 54 Ca 0.42 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1flt s LEU 54 Cb -0.13 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 1flt s LEU 54 CO 0.13 -0.08 1.19 -0.04 0.23 0.00 0.00 176.35 177.78 1flt s MET 55 N -1.22 4.27 0.03 1.70 -1.94 -1.26 -0.22 119.30 120.67 1flt s MET 55 Ca -0.04 1.58 -0.00 0.00 -1.71 0.00 0.00 55.69 55.52 1flt s MET 55 Cb -0.08 -3.69 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 1flt s MET 55 CO 0.01 -0.62 -0.03 1.03 -0.01 0.00 0.00 175.02 175.40 1flt s ARG 56 N 3.11 0.42 0.40 2.03 1.81 -0.40 -0.57 118.95 125.75 1flt s ARG 56 Ca 0.52 -0.82 -0.27 0.00 -1.72 0.00 0.00 55.73 53.45 1flt s ARG 56 Cb -0.21 0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 34.31 1flt s ARG 56 CO 0.14 -0.06 1.38 0.00 -0.68 0.00 0.00 175.30 176.08 1flt s GLY 58 N -0.51 -0.32 0.00 0.00 0.00 -0.44 -4.83 107.32 101.22 1flt s GLY 58 Ca 0.56 0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1flt s GLY 58 CO 0.55 0.05 0.00 0.61 0.00 0.00 0.00 173.10 174.31 1flt n GLY 59 N -0.41 -0.73 3.37 0.20 0.00 -1.26 -1.02 105.19 105.33 1flt n GLY 59 Ca -0.09 -2.19 -0.24 0.00 0.00 0.00 0.00 46.02 43.50 1flt n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1flt n ASN 62 N -0.56 -3.77 -3.42 0.00 3.02 -1.26 -4.95 115.26 104.32 1flt n ASN 62 Ca 0.06 -0.87 0.01 0.00 -0.03 0.00 0.00 54.58 53.75 1flt n ASN 62 Cb 0.32 -3.52 -0.03 0.00 -0.61 0.00 0.00 39.78 35.94 1flt n ASN 62 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1flt s ASP 63 N -3.47 -0.89 0.60 6.41 -1.08 -1.26 -5.06 116.67 111.93 1flt s ASP 63 Ca 0.59 1.02 0.40 0.00 -0.52 0.00 0.00 52.55 54.04 1flt s ASP 63 Cb -0.30 1.93 2.17 0.00 -1.46 0.00 0.00 42.92 45.26 1flt s ASP 63 CO 0.86 -0.17 2.24 -0.33 0.52 0.00 0.00 175.17 178.29 1flt h GLU 64 N 7.81 0.00 0.00 4.34 4.39 -2.04 -1.29 114.58 127.79 1flt h GLU 64 Ca -0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1flt h GLU 64 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1flt h GLU 64 CO 0.10 0.00 -0.26 0.41 -1.16 0.00 0.00 179.01 178.09 1flt n GLY 65 N -1.03 -1.44 3.82 -3.84 0.00 -1.26 -4.89 105.19 96.55 1flt n GLY 65 Ca -0.02 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1flt n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1flt s LEU 66 N -3.47 3.69 -0.02 0.99 1.43 -0.49 0.09 118.68 120.89 1flt s LEU 66 Ca 0.11 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 1flt s LEU 66 Cb 0.16 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 44.15 1flt s LEU 66 CO 0.63 -0.17 0.19 -1.83 0.23 0.00 0.00 176.35 175.40 1flt s GLU 67 N -3.89 0.46 -0.56 1.70 -1.05 0.11 -4.77 118.70 110.69 1flt s GLU 67 Ca 0.36 -0.18 -0.25 0.00 -0.15 0.00 0.00 54.97 54.75 1flt s GLU 67 Cb -0.07 0.20 0.04 0.00 -0.44 0.00 0.00 34.13 33.86 1flt s GLU 67 CO 0.25 -0.10 1.02 0.00 0.95 0.00 0.00 175.26 177.37 1flt s VAL 69 N 4.24 1.95 0.39 0.00 -7.23 -0.55 -4.82 120.40 114.38 1flt s VAL 69 Ca 0.34 -2.02 -0.24 0.00 -1.81 0.00 0.00 61.98 58.25 1flt s VAL 69 Cb -0.11 -1.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.78 1flt s VAL 69 CO 0.21 -0.33 1.04 -2.16 -0.31 0.00 0.00 175.10 173.56 1flt s PRO 70 N -2.96 4.21 0.00 4.82 0.04 -1.26 -1.20 135.00 138.65 1flt s PRO 70 Ca 0.19 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1flt s PRO 70 Cb -0.05 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1flt s PRO 70 CO 0.08 -0.10 0.13 0.25 0.04 0.00 0.00 177.00 177.40 1flt n THR 71 N 0.01 0.00 -3.71 1.26 -2.24 0.38 -4.89 114.28 105.08 1flt n THR 71 Ca 0.05 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1flt n THR 71 Cb 0.49 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 1flt n THR 71 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1flt s GLU 72 N -0.64 0.41 0.28 -0.78 2.12 -1.23 -4.93 118.70 113.93 1flt s GLU 72 Ca 0.00 0.69 0.05 0.00 0.36 0.00 0.00 54.97 56.07 1flt s GLU 72 Cb 0.00 0.07 -0.06 0.00 0.26 0.00 0.00 34.13 34.40 1flt s GLU 72 CO 0.00 -0.12 -0.00 -1.21 -0.54 0.00 0.00 175.26 173.39 1flt s GLU 73 N 0.95 1.52 0.38 4.30 2.02 -1.26 -0.43 118.70 126.17 1flt s GLU 73 Ca -0.06 -1.79 -0.15 0.00 0.02 0.00 0.00 54.97 52.99 1flt s GLU 73 Cb -0.06 -0.90 0.06 0.00 0.10 0.00 0.00 34.13 33.33 1flt s GLU 73 CO -0.08 -0.08 0.78 -1.13 0.02 0.00 0.00 175.26 174.78 1flt n SER 74 N -0.57 -2.23 -4.33 -0.19 3.41 -0.97 -4.85 113.62 103.89 1flt n SER 74 Ca -0.04 -2.53 -0.20 0.00 -0.26 0.00 0.00 58.87 55.84 1flt n SER 74 Cb 0.65 3.71 -0.11 0.00 -0.26 0.00 0.00 64.21 68.20 1flt n SER 74 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1flt s ASN 75 N -3.04 2.56 -0.04 4.04 0.01 -1.26 -1.14 114.94 116.07 1flt s ASN 75 Ca 0.16 -0.94 -0.04 0.00 -0.71 0.00 0.00 52.86 51.32 1flt s ASN 75 Cb -0.05 -0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.49 1flt s ASN 75 CO 0.11 -0.12 0.12 -0.51 -1.51 0.00 0.00 177.10 175.19 1flt s ILE 76 N -2.56 -0.00 -0.12 0.60 2.07 -0.08 -4.94 121.20 116.18 1flt s ILE 76 Ca 0.19 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.42 1flt s ILE 76 Cb -0.03 -0.17 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 1flt s ILE 76 CO 0.06 0.00 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.13 1flt s THR 77 N 0.09 3.60 0.05 4.00 2.01 -1.26 -0.01 115.64 124.12 1flt s THR 77 Ca -0.00 -0.48 0.05 0.00 0.31 0.00 0.00 61.69 61.56 1flt s THR 77 Cb -0.01 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 1flt s THR 77 CO 0.00 0.54 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.30 1flt s MET 78 N -0.06 0.85 -0.29 4.92 1.00 0.10 -4.94 119.30 120.88 1flt s MET 78 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 55.69 54.61 1flt s MET 78 Cb -0.13 -0.84 0.01 0.00 0.00 0.00 0.00 34.83 33.87 1flt s MET 78 CO 0.03 0.20 1.02 -0.65 0.00 0.00 0.00 175.02 175.62 1flt s GLN 79 N -1.32 4.11 0.11 2.03 -0.21 -1.26 -1.02 119.66 122.09 1flt s GLN 79 Ca -0.00 1.09 0.09 0.00 0.02 0.00 0.00 55.36 56.55 1flt s GLN 79 Cb -0.08 -3.71 -0.04 0.00 1.00 0.00 0.00 33.01 30.18 1flt s GLN 79 CO 0.01 -0.79 -0.23 0.42 -2.12 0.00 0.00 175.29 172.59 1flt s ILE 80 N 3.41 1.92 -0.19 1.08 -1.09 0.60 -4.88 121.20 122.05 1flt s ILE 80 Ca 0.43 -1.59 -0.09 0.00 -2.23 0.00 0.00 60.65 57.17 1flt s ILE 80 Cb -0.13 -1.71 -0.05 0.00 -1.58 0.00 0.00 42.46 38.99 1flt s ILE 80 CO 0.12 0.03 0.12 -0.32 -1.23 0.00 0.00 174.94 173.66 1flt s MET 81 N -1.88 4.08 -0.11 2.79 1.75 -0.23 0.08 119.30 125.77 1flt s MET 81 Ca 0.09 -0.23 -0.00 0.00 -1.25 0.00 0.00 55.69 54.30 1flt s MET 81 Cb -0.10 -3.37 -0.02 0.00 2.84 0.00 0.00 34.83 34.18 1flt s MET 81 CO 0.05 0.35 -0.10 -0.98 -0.65 0.00 0.00 175.02 173.69 1flt s ARG 82 N 0.20 3.20 -0.15 4.11 1.70 -0.65 -0.55 118.95 126.82 1flt s ARG 82 Ca 0.08 -0.62 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 1flt s ARG 82 Cb -0.11 -2.65 0.03 0.00 -0.57 0.00 0.00 34.95 31.64 1flt s ARG 82 CO -0.01 0.37 -0.12 0.42 -1.08 0.00 0.00 175.30 174.88 1flt s ILE 83 N -0.04 1.45 -0.22 4.99 1.01 0.25 -1.61 121.20 127.03 1flt s ILE 83 Ca -0.01 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.85 1flt s ILE 83 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1flt s ILE 83 CO 0.03 0.40 0.51 -0.75 0.00 0.00 0.00 174.94 175.13 1flt s LYS 84 N 1.53 4.14 -0.48 2.79 2.20 -0.94 -0.66 119.74 128.32 1flt s LYS 84 Ca 0.04 0.37 -0.23 0.00 -0.36 0.00 0.00 55.97 55.79 1flt s LYS 84 Cb -0.13 -3.60 -0.13 0.00 -1.51 0.00 0.00 37.83 32.46 1flt s LYS 84 CO -0.10 -0.23 1.54 -2.30 -0.36 0.00 0.00 175.35 173.90 1flt n PRO 85 N 5.08 0.00 -0.81 4.03 -0.02 -1.26 0.59 135.00 142.61 1flt n PRO 85 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1flt n PRO 85 Cb 0.50 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.04 1flt n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1flt n HIS 86 N 5.73 0.00 -2.37 6.00 8.25 -1.26 -4.92 115.22 126.66 1flt n HIS 86 Ca 0.38 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.61 1flt n HIS 86 Cb -0.00 -0.64 0.01 0.00 1.12 0.00 0.00 29.99 30.48 1flt n HIS 86 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1flt n GLN 87 N -1.95 3.23 0.00 -0.41 6.02 0.20 -5.11 117.38 119.36 1flt n GLN 87 Ca 0.00 -4.26 0.00 0.00 -0.01 0.00 0.00 57.00 52.73 1flt n GLN 87 Cb 0.02 -2.15 0.00 0.00 1.02 0.00 0.00 30.24 29.13 1flt n GLN 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1flt n GLY 88 N -0.52 -0.77 3.16 1.08 0.00 -1.25 -4.65 105.19 102.24 1flt n GLY 88 Ca 0.37 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 1flt n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1flt s GLN 89 N -2.65 1.69 0.01 1.61 1.11 -1.26 -2.22 119.66 117.94 1flt s GLN 89 Ca 0.00 -0.64 0.00 0.00 0.01 0.00 0.00 55.36 54.73 1flt s GLN 89 Cb 0.00 -1.53 -0.01 0.00 -1.01 0.00 0.00 33.01 30.46 1flt s GLN 89 CO 0.00 0.32 -0.01 -1.01 0.01 0.00 0.00 175.29 174.60 1flt s HIS 90 N -0.18 0.10 0.36 0.91 3.76 -0.64 -4.99 115.29 114.62 1flt s HIS 90 Ca 0.01 -0.19 -0.26 0.00 -0.15 0.00 0.00 55.06 54.47 1flt s HIS 90 Cb -0.10 -0.07 -0.09 0.00 1.11 0.00 0.00 32.58 33.43 1flt s HIS 90 CO 0.01 -0.07 1.07 0.42 -0.85 0.00 0.00 174.74 175.32 1flt s ILE 91 N -0.53 3.60 0.04 0.60 -1.09 -1.26 -1.64 121.20 120.92 1flt s ILE 91 Ca -0.06 1.36 0.00 0.00 -2.23 0.00 0.00 60.65 59.73 1flt s ILE 91 Cb -0.04 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1flt s ILE 91 CO -0.00 0.14 -0.04 -0.83 -1.23 0.00 0.00 174.94 172.98 1flt s GLY 92 N -1.29 0.43 -0.35 6.18 0.00 0.11 -4.93 107.32 107.47 1flt s GLY 92 Ca 0.53 -0.92 -0.02 0.00 0.00 0.00 0.00 44.72 44.31 1flt s GLY 92 CO 0.33 -1.00 0.10 -0.54 0.00 0.00 0.00 173.10 171.99 1flt s GLU 93 N -2.56 2.16 -0.04 2.90 2.02 -1.26 -0.29 118.70 121.63 1flt s GLU 93 Ca -0.04 -1.56 -0.01 0.00 0.02 0.00 0.00 54.97 53.37 1flt s GLU 93 Cb -0.02 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 1flt s GLU 93 CO -0.04 -0.85 0.06 -1.64 0.02 0.00 0.00 175.26 172.81 1flt s MET 94 N 1.17 3.06 -0.06 1.61 -1.94 -0.19 -4.87 119.30 118.08 1flt s MET 94 Ca 0.02 -0.44 -0.09 0.00 -1.71 0.00 0.00 55.69 53.48 1flt s MET 94 Cb -0.21 -2.86 -0.05 0.00 2.01 0.00 0.00 34.83 33.72 1flt s MET 94 CO -0.03 0.67 0.23 0.45 -0.01 0.00 0.00 175.02 176.34 1flt s SER 95 N -1.43 6.52 0.07 3.03 0.15 -1.26 0.02 113.70 120.79 1flt s SER 95 Ca 0.19 0.61 0.03 0.00 0.70 0.00 0.00 55.95 57.49 1flt s SER 95 Cb -0.12 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1flt s SER 95 CO 0.10 0.36 -0.09 -0.36 1.20 0.00 0.00 173.24 174.44 1flt s PHE 96 N -1.10 0.89 0.03 3.44 0.08 0.99 -4.96 117.98 117.36 1flt s PHE 96 Ca 0.20 -0.57 -0.22 0.00 0.12 0.00 0.00 56.93 56.46 1flt s PHE 96 Cb -0.13 -0.51 -0.06 0.00 -0.57 0.00 0.00 43.02 41.75 1flt s PHE 96 CO 0.09 -0.04 0.66 -1.17 -0.10 0.00 0.00 175.22 174.65 1flt s LEU 97 N -1.96 4.45 0.24 -0.37 2.96 -1.26 -0.90 118.68 121.85 1flt s LEU 97 Ca -0.03 1.30 0.10 0.00 -0.22 0.00 0.00 54.13 55.28 1flt s LEU 97 Cb -0.07 -3.04 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 1flt s LEU 97 CO 0.00 0.11 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.86 1flt s GLN 98 N -0.34 1.53 -0.22 1.98 -0.21 -0.29 -4.84 119.66 117.26 1flt s GLN 98 Ca 0.33 -1.68 -0.05 0.00 0.02 0.00 0.00 55.36 53.98 1flt s GLN 98 Cb -0.19 -1.51 -0.02 0.00 1.00 0.00 0.00 33.01 32.28 1flt s GLN 98 CO 0.20 0.28 0.00 -1.01 -2.12 0.00 0.00 175.29 172.64 1flt s HIS 99 N -2.64 3.02 -0.06 0.91 3.76 0.26 -2.30 115.29 118.23 1flt s HIS 99 Ca 0.26 -0.64 0.06 0.00 -0.15 0.00 0.00 55.06 54.59 1flt s HIS 99 Cb -0.04 -2.14 -0.24 0.00 1.11 0.00 0.00 32.58 31.27 1flt s HIS 99 CO 0.11 -0.40 0.58 -0.91 -0.85 0.00 0.00 174.74 173.27 1flt h ASN 100 N 7.96 0.15 -4.62 1.40 4.21 -1.06 -3.41 115.58 120.21 1flt h ASN 100 Ca -0.39 -0.32 -0.20 0.00 1.21 0.00 0.00 56.30 56.60 1flt h ASN 100 Cb 1.17 -0.05 -0.23 0.00 -1.12 0.00 0.00 38.32 38.09 1flt h ASN 100 CO 0.60 1.29 -0.71 -0.54 -1.29 0.00 0.00 177.43 176.78 1flt s LYS 101 N -2.59 0.27 0.07 0.81 1.02 -1.18 -4.88 119.74 113.25 1flt s LYS 101 Ca -0.10 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 55.45 1flt s LYS 101 Cb 0.07 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.37 1flt s LYS 101 CO 0.81 -0.02 -0.10 0.00 -0.92 0.00 0.00 175.35 175.11 1flt s GLU 103 N -2.01 0.79 -0.20 0.00 2.02 -0.34 -4.89 118.70 114.06 1flt s GLU 103 Ca -0.03 -0.82 -0.16 0.00 0.02 0.00 0.00 54.97 53.98 1flt s GLU 103 Cb -0.08 0.32 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 1flt s GLU 103 CO 0.01 -0.24 0.42 0.00 0.02 0.00 0.00 175.26 175.46 1flt s ARG 105 N 1.40 0.89 0.17 0.00 0.52 -0.59 -4.88 118.95 116.46 1flt s ARG 105 Ca 0.20 -1.33 -0.33 0.00 -0.52 0.00 0.00 55.73 53.74 1flt s ARG 105 Cb -0.15 0.26 -0.14 0.00 0.52 0.00 0.00 34.95 35.44 1flt s ARG 105 CO 0.08 -0.25 1.54 -2.30 0.02 0.00 0.00 175.30 174.39 1flt n PRO 106 N -0.07 2.11 0.00 3.54 -0.02 -1.26 0.08 135.00 139.38 1flt n PRO 106 Ca -0.08 0.76 0.07 0.00 -2.02 0.00 0.00 63.50 62.23 1flt n PRO 106 Cb 0.63 -2.51 0.40 0.00 -0.02 0.00 0.00 33.50 32.00 1flt n PRO 106 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11