#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7o n SER 11 N 0.00 0.13 0.01 3.42 7.64 -1.26 -0.50 113.62 123.06 2a7o n SER 11 Ca 0.00 -0.86 -0.11 0.00 1.01 0.00 0.00 58.87 58.90 2a7o n SER 11 Cb 0.00 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 2a7o n SER 11 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2a7o h SER 12 N 0.19 -0.11 0.17 6.43 4.64 -2.00 -3.14 113.55 119.72 2a7o h SER 12 Ca 0.00 -0.48 -0.24 0.00 -0.47 0.00 0.00 61.79 60.60 2a7o h SER 12 Cb 0.10 0.03 0.02 0.00 -0.31 0.00 0.00 62.40 62.24 2a7o h SER 12 CO 0.00 0.52 -1.10 1.05 -0.87 0.00 0.00 176.83 176.43 2a7o h GLU 13 N -0.84 0.36 -0.88 4.77 4.11 -1.90 -2.46 114.58 117.73 2a7o h GLU 13 Ca -0.01 -0.61 0.03 0.00 0.07 0.00 0.00 59.36 58.83 2a7o h GLU 13 Cb 0.58 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 2a7o h GLU 13 CO 0.02 1.29 0.58 1.25 0.07 0.00 0.00 179.01 182.23 2a7o h LEU 14 N -0.22 0.97 0.00 3.06 5.85 -0.98 -0.65 115.31 123.34 2a7o h LEU 14 Ca -0.20 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2a7o h LEU 14 Cb 1.81 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2a7o h LEU 14 CO 0.17 0.68 -0.48 0.00 -0.34 0.00 0.00 178.44 178.46 2a7o h ALA 15 N 1.47 0.69 -0.56 1.25 0.00 -1.65 -1.12 119.26 119.35 2a7o h ALA 15 Ca 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 2a7o h ALA 15 Cb -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2a7o h ALA 15 CO -0.10 0.00 0.19 -0.22 0.00 0.00 0.00 179.25 179.13 2a7o h LYS 16 N 0.00 0.83 0.08 0.00 1.63 -0.61 0.44 116.57 118.93 2a7o h LYS 16 Ca 0.00 -0.14 -0.27 0.00 -0.85 0.00 0.00 60.65 59.39 2a7o h LYS 16 Cb 0.78 -0.14 0.03 0.00 -0.60 0.00 0.00 32.23 32.30 2a7o h LYS 16 CO 0.00 0.70 -1.11 0.87 -3.45 0.00 0.00 179.45 176.46 2a7o h LYS 17 N 0.81 0.62 0.00 1.90 1.79 -1.27 -3.13 116.57 117.29 2a7o h LYS 17 Ca 0.19 -0.77 -0.03 0.00 -2.18 0.00 0.00 60.65 57.86 2a7o h LYS 17 Cb 0.21 0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2a7o h LYS 17 CO -0.01 1.34 -0.13 1.03 -1.08 0.00 0.00 179.45 180.59 2a7o h SER 18 N 0.24 0.00 0.60 0.86 0.87 -0.48 0.72 113.55 116.37 2a7o h SER 18 Ca -0.16 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2a7o h SER 18 Cb 1.79 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.76 2a7o h SER 18 CO 0.22 0.13 -0.29 0.11 -0.53 0.00 0.00 176.83 176.47 2a7o h LYS 19 N 0.00 -0.78 -0.53 2.24 1.79 -0.10 0.20 116.57 119.39 2a7o h LYS 19 Ca -0.00 0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.41 2a7o h LYS 19 Cb 0.35 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.16 2a7o h LYS 19 CO 0.02 -0.47 -0.11 1.05 -1.08 0.00 0.00 179.45 178.86 2a7o h GLU 20 N -0.97 1.00 -0.13 3.15 4.11 -1.42 0.27 114.58 120.60 2a7o h GLU 20 Ca -0.08 -0.37 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 2a7o h GLU 20 Cb 0.67 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2a7o h GLU 20 CO 0.14 1.05 0.03 0.28 0.07 0.00 0.00 179.01 180.57 2a7o h VAL 21 N 0.89 1.21 0.42 -1.06 2.07 -0.84 0.13 116.25 119.08 2a7o h VAL 21 Ca 0.14 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2a7o h VAL 21 Cb 0.67 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 2a7o h VAL 21 CO 0.05 0.20 -0.20 0.15 0.02 0.00 0.00 177.57 177.78 2a7o h PHE 22 N 0.01 -0.52 0.00 1.57 3.57 -0.45 -1.14 116.94 119.98 2a7o h PHE 22 Ca 0.04 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2a7o h PHE 22 Cb 0.28 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 2a7o h PHE 22 CO 0.01 -0.32 -0.02 0.07 -2.23 0.00 0.00 178.31 175.83 2a7o h ARG 23 N -0.58 0.00 0.12 1.11 -0.00 -0.36 0.18 114.38 114.86 2a7o h ARG 23 Ca -0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.92 2a7o h ARG 23 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.41 2a7o h ARG 23 CO 0.09 0.02 -0.06 0.87 -0.00 0.00 0.00 179.97 180.89 2a7o h LYS 24 N 0.00 -0.16 -0.00 0.08 1.57 -0.18 -0.12 116.57 117.75 2a7o h LYS 24 Ca -0.00 0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2a7o h LYS 24 Cb 0.03 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2a7o h LYS 24 CO 0.00 0.21 -0.52 1.05 -0.57 0.00 0.00 179.45 179.63 2a7o h GLU 25 N -0.56 0.01 -0.14 3.15 4.11 -0.70 -0.85 114.58 119.60 2a7o h GLU 25 Ca -0.02 -0.01 -0.21 0.00 0.07 0.00 0.00 59.36 59.19 2a7o h GLU 25 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2a7o h GLU 25 CO 0.03 0.53 -0.77 1.98 0.07 0.00 0.00 179.01 180.85 2a7o h MET 26 N 0.01 0.71 -0.62 1.06 4.05 -0.67 0.13 114.93 119.61 2a7o h MET 26 Ca -0.00 -0.58 0.00 0.00 -0.28 0.00 0.00 59.70 58.84 2a7o h MET 26 Cb 0.92 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.81 2a7o h MET 26 CO 0.07 1.19 0.39 0.77 0.23 0.00 0.00 176.91 179.56 2a7o h SER 27 N 0.49 0.73 -0.25 1.39 0.02 -0.56 0.35 113.55 115.72 2a7o h SER 27 Ca -0.05 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 2a7o h SER 27 Cb 1.38 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2a7o h SER 27 CO 0.15 0.56 -0.59 1.56 -1.14 0.00 0.00 176.83 177.37 2a7o h GLN 28 N 0.84 0.85 -0.21 3.45 4.20 -1.07 0.32 115.11 123.49 2a7o h GLN 28 Ca 0.22 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2a7o h GLN 28 Cb -0.05 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2a7o h GLN 28 CO -0.04 1.19 0.13 0.35 -0.67 0.00 0.00 178.83 179.79 2a7o h PHE 29 N 0.64 0.26 -0.43 2.96 3.57 -0.40 -0.24 116.94 123.30 2a7o h PHE 29 Ca 0.00 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 2a7o h PHE 29 Cb 1.20 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 2a7o h PHE 29 CO 0.07 0.17 0.09 0.82 -2.23 0.00 0.00 178.31 177.23 2a7o h ILE 30 N 0.27 1.24 -0.55 1.41 2.04 -0.11 0.76 117.51 122.58 2a7o h ILE 30 Ca 0.08 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 65.19 2a7o h ILE 30 Cb -0.02 0.96 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 2a7o h ILE 30 CO -0.02 0.30 -0.02 0.58 0.00 0.00 0.00 178.15 178.99 2a7o h VAL 31 N 0.57 0.54 -0.76 1.67 2.07 -0.15 0.38 116.25 120.58 2a7o h VAL 31 Ca 0.13 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 2a7o h VAL 31 Cb 0.35 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2a7o h VAL 31 CO 0.01 0.02 0.36 -0.61 0.02 0.00 0.00 177.57 177.37 2a7o h GLN 32 N 0.10 1.08 -0.40 1.57 5.75 -0.52 0.97 115.11 123.65 2a7o h GLN 32 Ca 0.28 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.53 2a7o h GLN 32 Cb 0.43 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 2a7o h GLN 32 CO -0.48 0.83 -0.14 0.00 -2.65 0.00 0.00 178.83 176.39 2a7o h LEU 34 N 0.66 0.00 -0.96 0.00 3.38 0.41 -3.36 115.31 115.45 2a7o h LEU 34 Ca 0.11 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.25 2a7o h LEU 34 Cb 0.62 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.20 2a7o h LEU 34 CO 0.04 0.03 -0.31 0.59 0.09 0.00 0.00 178.44 178.88 2a7o n ASN 35 N -3.09 -0.50 0.14 -0.43 5.03 0.27 -0.58 115.26 116.10 2a7o n ASN 35 Ca 0.04 1.66 0.12 0.00 0.87 0.00 0.00 54.58 57.27 2a7o n ASN 35 Cb 0.54 -0.43 0.51 0.00 -1.02 0.00 0.00 39.78 39.38 2a7o n ASN 35 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2a7o h PRO 36 N 0.00 0.00 0.00 3.52 0.13 -1.76 -3.02 132.00 130.87 2a7o h PRO 36 Ca 0.39 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.43 2a7o h PRO 36 Cb 0.63 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 2a7o h PRO 36 CO -0.96 0.00 -1.02 1.88 -0.23 0.00 0.00 178.00 177.66 2a7o h TYR 37 N 0.00 0.00 -0.01 1.56 -1.99 -1.08 -3.27 116.97 112.18 2a7o h TYR 37 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2a7o h TYR 37 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.10 2a7o h TYR 37 CO 0.00 0.34 -0.05 2.89 -0.00 0.00 0.00 178.16 181.34 2a7o n ARG 38 N -2.90 1.29 -2.23 4.88 1.85 -0.97 -0.11 116.66 118.48 2a7o n ARG 38 Ca -0.04 -0.62 -0.41 0.00 -1.00 0.00 0.00 57.85 55.78 2a7o n ARG 38 Cb 0.71 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.60 2a7o n ARG 38 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2a7o s LYS 39 N -2.14 4.42 0.06 2.89 -0.14 -1.23 -4.76 119.74 118.83 2a7o s LYS 39 Ca 0.37 2.07 0.09 0.00 -1.36 0.00 0.00 55.97 57.13 2a7o s LYS 39 Cb 0.21 -3.15 0.40 0.00 -1.68 0.00 0.00 37.83 33.60 2a7o s LYS 39 CO 0.39 -0.15 1.27 -0.35 -0.76 0.00 0.00 175.35 175.75 2a7o n PRO 40 N 1.75 0.03 -0.27 -1.68 -0.04 -1.26 -1.13 135.00 132.40 2a7o n PRO 40 Ca 0.03 0.44 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 2a7o n PRO 40 Cb 0.43 -1.59 0.19 0.00 -0.04 0.00 0.00 33.50 32.49 2a7o n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2a7o n ASP 41 N -1.65 3.21 -4.69 3.54 2.03 -1.26 -5.00 116.55 112.73 2a7o n ASP 41 Ca 0.01 -2.60 -0.44 0.00 0.52 0.00 0.00 54.79 52.27 2a7o n ASP 41 Cb 0.07 -0.38 -0.04 0.00 -0.72 0.00 0.00 41.12 40.06 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7o h LYS 43 N 6.10 0.44 -3.38 0.00 3.64 -1.89 -3.42 116.57 118.07 2a7o h LYS 43 Ca -0.44 -0.64 -0.29 0.00 -1.27 0.00 0.00 60.65 58.00 2a7o h LYS 43 Cb 1.23 0.22 -0.34 0.00 -0.41 0.00 0.00 32.23 32.93 2a7o h LYS 43 CO 0.90 1.28 -0.69 0.54 -2.27 0.00 0.00 179.45 179.21 2a7o s VAL 44 N -2.86 -0.08 -0.64 2.00 0.11 -1.26 -4.62 120.40 113.05 2a7o s VAL 44 Ca -0.07 0.25 -0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2a7o s VAL 44 Cb 0.07 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.76 2a7o s VAL 44 CO 0.90 0.10 0.53 0.61 -3.33 0.00 0.00 175.10 173.92 2a7o n GLY 45 N 4.46 0.02 3.65 6.54 0.00 0.52 -4.89 105.19 115.49 2a7o n GLY 45 Ca -0.22 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2a7o n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a7o s ARG 46 N -4.75 4.16 -0.15 1.61 3.52 0.43 -4.47 118.95 119.30 2a7o s ARG 46 Ca 0.01 1.55 -0.29 0.00 -0.13 0.00 0.00 55.73 56.87 2a7o s ARG 46 Cb -0.00 -3.78 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 2a7o s ARG 46 CO 0.39 -0.80 1.46 0.42 -0.81 0.00 0.00 175.30 175.96 2a7o s ILE 47 N 3.68 3.93 0.09 4.11 1.01 0.85 -0.09 121.20 134.78 2a7o s ILE 47 Ca 0.54 1.10 -0.24 0.00 0.00 0.00 0.00 60.65 62.06 2a7o s ILE 47 Cb -0.20 -3.77 -0.14 0.00 0.01 0.00 0.00 42.46 38.35 2a7o s ILE 47 CO 0.16 -0.16 1.72 0.71 0.00 0.00 0.00 174.94 177.37 2a7o h THR 48 N 5.67 0.91 -4.13 2.92 1.35 -1.89 -3.43 112.91 114.32 2a7o h THR 48 Ca -0.32 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.41 2a7o h THR 48 Cb 1.14 0.91 -0.14 0.00 -1.73 0.00 0.00 68.15 68.33 2a7o h THR 48 CO 0.98 0.00 -0.53 -0.89 -0.25 0.00 0.00 175.52 174.82 2a7o s THR 49 N -6.18 0.14 0.27 6.82 2.01 -1.26 -5.03 115.64 112.41 2a7o s THR 49 Ca -0.13 -1.62 -0.04 0.00 0.31 0.00 0.00 61.69 60.20 2a7o s THR 49 Cb 0.06 -1.70 0.26 0.00 0.01 0.00 0.00 72.50 71.13 2a7o s THR 49 CO 0.66 -0.63 1.94 0.00 -0.69 0.00 0.00 174.62 175.90 2a7o h THR 50 N 2.86 1.23 -0.72 -0.82 1.03 -1.98 0.14 112.91 114.65 2a7o h THR 50 Ca -0.34 -0.44 0.03 0.00 -0.01 0.00 0.00 66.41 65.66 2a7o h THR 50 Cb 1.19 -0.15 -0.04 0.00 -1.07 0.00 0.00 68.15 68.08 2a7o h THR 50 CO 0.58 0.23 0.48 1.05 -0.01 0.00 0.00 175.52 177.85 2a7o h GLU 51 N 1.27 0.86 -0.05 0.00 4.11 -1.99 0.16 114.58 118.96 2a7o h GLU 51 Ca 0.35 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 59.48 2a7o h GLU 51 Cb -0.13 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 28.94 2a7o h GLU 51 CO -0.08 0.57 -0.96 -0.44 0.07 0.00 0.00 179.01 178.17 2a7o h ASP 52 N 0.89 0.89 -0.19 3.06 3.32 -1.68 -0.28 116.42 122.44 2a7o h ASP 52 Ca 0.29 -0.67 0.03 0.00 0.02 0.00 0.00 57.03 56.69 2a7o h ASP 52 Cb 0.04 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2a7o h ASP 52 CO -0.08 1.48 -0.00 0.15 -1.72 0.00 0.00 179.24 179.06 2a7o h PHE 53 N 0.43 -0.02 -0.67 4.55 3.04 -0.07 0.15 116.94 124.35 2a7o h PHE 53 Ca -0.10 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.82 2a7o h PHE 53 Cb 1.60 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 40.12 2a7o h PHE 53 CO 0.09 -0.03 0.26 0.87 -2.02 0.00 0.00 178.31 177.48 2a7o h LYS 54 N 0.06 1.01 -0.06 1.11 1.57 -0.60 0.11 116.57 119.76 2a7o h LYS 54 Ca 0.09 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2a7o h LYS 54 Cb 0.11 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2a7o h LYS 54 CO -0.16 0.84 0.03 1.25 -0.57 0.00 0.00 179.45 180.85 2a7o h HIS 55 N 0.95 0.08 -0.43 -1.35 2.76 -0.60 -0.93 115.15 115.63 2a7o h HIS 55 Ca 0.22 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 2a7o h HIS 55 Cb 0.22 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 2a7o h HIS 55 CO 0.01 0.11 -0.07 1.25 -1.30 0.00 0.00 177.93 177.93 2a7o h LEU 56 N 0.03 0.82 -1.17 0.26 6.46 -0.52 -0.99 115.31 120.19 2a7o h LEU 56 Ca 0.02 -0.35 0.07 0.00 -0.12 0.00 0.00 57.88 57.50 2a7o h LEU 56 Cb 0.06 -0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 39.71 2a7o h LEU 56 CO -0.00 0.97 0.58 0.00 -0.62 0.00 0.00 178.44 179.37 2a7o h ALA 57 N 0.87 1.54 0.83 1.25 0.00 -0.54 0.12 119.26 123.34 2a7o h ALA 57 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2a7o h ALA 57 Cb 0.60 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2a7o h ALA 57 CO 0.04 0.32 -0.40 0.00 0.00 0.00 0.00 179.25 179.21 2a7o h ARG 58 N 0.99 -1.07 -0.45 0.00 2.47 -0.77 -1.44 114.38 114.10 2a7o h ARG 58 Ca 0.39 0.07 0.08 0.00 -1.26 0.00 0.00 59.98 59.26 2a7o h ARG 58 Cb 0.23 0.24 -0.07 0.00 -1.65 0.00 0.00 29.97 28.73 2a7o h ARG 58 CO -0.15 -0.71 0.06 0.87 0.56 0.00 0.00 179.97 180.60 2a7o h LYS 59 N -1.12 0.17 -0.28 0.04 1.79 -0.50 -0.91 116.57 115.76 2a7o h LYS 59 Ca -0.11 -0.01 -0.14 0.00 -2.18 0.00 0.00 60.65 58.20 2a7o h LYS 59 Cb 0.85 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.46 2a7o h LYS 59 CO 0.19 0.11 -0.38 -0.07 -1.08 0.00 0.00 179.45 178.22 2a7o h LEU 60 N 0.18 0.82 -1.00 2.94 3.38 -0.76 0.85 115.31 121.73 2a7o h LEU 60 Ca 0.22 -0.50 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2a7o h LEU 60 Cb 0.31 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2a7o h LEU 60 CO -0.32 1.16 0.65 0.74 0.09 0.00 0.00 178.44 180.76 2a7o h THR 61 N 0.50 1.13 -0.11 0.22 2.02 -0.94 -1.68 112.91 114.06 2a7o h THR 61 Ca 0.03 -0.42 -0.19 0.00 0.77 0.00 0.00 66.41 66.60 2a7o h THR 61 Cb 0.97 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2a7o h THR 61 CO 0.09 0.22 -0.73 -0.74 0.37 0.00 0.00 175.52 174.73 2a7o h HIS 62 N 1.21 0.71 -0.33 3.16 -0.00 -0.91 -2.81 115.15 116.19 2a7o h HIS 62 Ca 0.41 -0.31 -0.13 0.00 -0.00 0.00 0.00 60.37 60.34 2a7o h HIS 62 Cb 0.09 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2a7o h HIS 62 CO -0.00 1.09 -0.32 0.78 -0.00 0.00 0.00 177.93 179.47 2a7o h GLY 63 N 1.06 0.87 1.45 5.26 0.00 -0.02 0.77 103.07 112.45 2a7o h GLY 63 Ca -0.03 -0.88 -0.09 0.00 0.00 0.00 0.00 47.33 46.32 2a7o h GLY 63 CO 0.13 0.80 -0.17 -2.08 0.00 0.00 0.00 176.54 175.23 2a7o h VAL 64 N 0.57 1.26 -0.33 4.60 2.07 -1.39 0.20 116.25 123.23 2a7o h VAL 64 Ca 0.05 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 2a7o h VAL 64 Cb 0.90 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2a7o h VAL 64 CO 0.08 0.40 0.11 -0.03 0.02 0.00 0.00 177.57 178.15 2a7o h MET 65 N 0.58 0.50 -0.66 1.57 -1.53 -1.33 -1.20 114.93 112.86 2a7o h MET 65 Ca 0.10 -0.10 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 2a7o h MET 65 Cb 0.61 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.56 2a7o h MET 65 CO 0.04 0.52 0.26 -0.91 0.14 0.00 0.00 176.91 176.96 2a7o h ASN 66 N 0.37 0.91 -0.09 1.39 2.35 -0.42 0.40 115.58 120.49 2a7o h ASN 66 Ca 0.11 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2a7o h ASN 66 Cb 0.22 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2a7o h ASN 66 CO -0.01 0.84 0.00 0.11 -1.65 0.00 0.00 177.43 176.72 2a7o h LYS 67 N 0.93 0.03 0.00 0.81 1.79 -0.35 0.17 116.57 119.96 2a7o h LYS 67 Ca 0.22 -0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.43 2a7o h LYS 67 Cb 0.21 -0.01 0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2a7o h LYS 67 CO -0.02 0.02 -1.03 1.05 -1.08 0.00 0.00 179.45 178.40 2a7o h GLU 68 N 0.03 0.64 0.00 3.15 4.11 -1.18 -1.01 114.58 120.33 2a7o h GLU 68 Ca 0.04 -0.70 -0.00 0.00 0.07 0.00 0.00 59.36 58.77 2a7o h GLU 68 Cb 0.05 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2a7o h GLU 68 CO -0.07 1.29 -0.02 -0.07 0.07 0.00 0.00 179.01 180.20 2a7o h LEU 69 N 0.36 0.00 0.00 3.06 3.38 -0.72 0.63 115.31 122.03 2a7o h LEU 69 Ca -0.12 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2a7o h LEU 69 Cb 1.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2a7o h LEU 69 CO 0.20 0.02 -1.35 2.29 0.09 0.00 0.00 178.44 179.68 2a7o n LYS 70 N -3.50 0.62 -0.03 1.13 2.85 0.59 -1.79 118.16 118.03 2a7o n LYS 70 Ca -0.03 0.18 -0.02 0.00 -1.05 0.00 0.00 58.31 57.40 2a7o n LYS 70 Cb 0.12 -1.80 -0.13 0.00 -0.65 0.00 0.00 35.03 32.57 2a7o n LYS 70 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2a7o n TYR 71 N -2.82 0.43 -0.12 5.58 4.01 -0.41 -4.54 117.16 119.29 2a7o n TYR 71 Ca -0.08 0.15 -0.22 0.00 -0.16 0.00 0.00 57.90 57.59 2a7o n TYR 71 Cb 0.77 -0.94 -0.09 0.00 -0.31 0.00 0.00 39.34 38.76 2a7o n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a7o n LYS 73 N -3.74 0.00 -3.07 0.00 5.02 -0.74 -4.85 118.16 110.78 2a7o n LYS 73 Ca -0.45 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.43 2a7o n LYS 73 Cb 0.87 -0.11 -0.06 0.00 -0.02 0.00 0.00 35.03 35.72 2a7o n LYS 73 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2a7o s ASN 74 N 0.00 6.53 0.00 4.39 0.01 -1.26 -4.92 114.94 119.69 2a7o s ASN 74 Ca 0.00 0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.61 2a7o s ASN 74 Cb 0.00 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.31 2a7o s ASN 74 CO 0.00 -0.52 0.58 -0.81 -1.51 0.00 0.00 177.10 174.83 2a7o n PRO 75 N 5.98 0.61 0.00 -0.60 -0.04 -1.26 -2.79 135.00 136.90 2a7o n PRO 75 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2a7o n PRO 75 Cb 0.49 -1.04 0.50 0.00 -0.04 0.00 0.00 33.50 33.41 2a7o n PRO 75 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2a7o n GLU 76 N -0.42 0.26 -0.00 0.54 2.13 -1.26 -1.74 120.64 120.15 2a7o n GLU 76 Ca 0.00 0.10 0.03 0.00 0.66 0.00 0.00 57.16 57.95 2a7o n GLU 76 Cb 0.02 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 2a7o n GLU 76 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2a7o n ASP 77 N -1.30 2.06 -4.55 4.31 2.03 -1.12 -4.93 116.55 113.05 2a7o n ASP 77 Ca 0.09 -0.30 -0.40 0.00 0.52 0.00 0.00 54.79 54.71 2a7o n ASP 77 Cb 0.17 1.15 -0.03 0.00 -0.72 0.00 0.00 41.12 41.68 2a7o n ASP 77 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2a7o s LEU 78 N -2.89 3.25 -0.05 -2.67 2.96 -0.71 -4.87 118.68 113.71 2a7o s LEU 78 Ca -0.00 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.28 2a7o s LEU 78 Cb 0.04 -2.56 0.02 0.00 0.50 0.00 0.00 46.19 44.19 2a7o s LEU 78 CO 0.25 -1.93 0.24 -0.70 -1.32 0.00 0.00 176.35 172.89 2a7o s GLU 79 N 5.90 0.46 -1.38 1.98 2.56 -1.26 -4.70 118.70 122.26 2a7o s GLU 79 Ca 0.45 -0.01 -0.12 0.00 0.00 0.00 0.00 54.97 55.29 2a7o s GLU 79 Cb -0.07 0.21 0.09 0.00 2.00 0.00 0.00 34.13 36.36 2a7o s GLU 79 CO 0.10 -0.10 2.07 0.00 -0.56 0.00 0.00 175.26 176.77 2a7o n ASN 81 N 5.17 0.05 0.23 0.00 0.23 -1.26 -4.80 115.26 114.88 2a7o n ASN 81 Ca 0.47 -1.04 -0.15 0.00 -0.53 0.00 0.00 54.58 53.33 2a7o n ASN 81 Cb 0.38 -0.01 -0.08 0.00 -2.08 0.00 0.00 39.78 37.99 2a7o n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2a7o h GLU 82 N 0.00 -0.60 -0.35 -3.83 5.08 -1.98 0.44 114.58 113.34 2a7o h GLU 82 Ca -0.01 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2a7o h GLU 82 Cb 0.03 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.34 2a7o h GLU 82 CO 0.01 -0.40 -0.19 -0.97 -1.00 0.00 0.00 179.01 176.46 2a7o h ASN 83 N -0.62 -0.63 -0.24 1.42 -1.24 -1.95 0.27 115.58 112.59 2a7o h ASN 83 Ca -0.03 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.09 2a7o h ASN 83 Cb 0.53 0.33 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 2a7o h ASN 83 CO 0.01 -0.22 0.06 0.58 -1.29 0.00 0.00 177.43 176.58 2a7o h VAL 84 N -0.13 1.21 -0.30 2.57 2.07 -1.69 -1.35 116.25 118.63 2a7o h VAL 84 Ca 0.18 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.07 2a7o h VAL 84 Cb 0.40 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2a7o h VAL 84 CO -0.43 0.22 -0.00 0.11 0.02 0.00 0.00 177.57 177.48 2a7o h LYS 85 N 0.22 0.08 -0.19 1.57 1.57 0.41 0.47 116.57 120.70 2a7o h LYS 85 Ca 0.08 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 2a7o h LYS 85 Cb 0.27 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 2a7o h LYS 85 CO 0.00 0.05 -0.26 1.25 -0.57 0.00 0.00 179.45 179.93 2a7o h HIS 86 N 0.08 -0.69 -0.87 -1.35 2.76 -0.18 0.39 115.15 115.29 2a7o h HIS 86 Ca 0.14 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2a7o h HIS 86 Cb 0.19 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 2a7o h HIS 86 CO -0.22 -0.34 0.58 0.87 -1.30 0.00 0.00 177.93 177.51 2a7o h LYS 87 N -0.29 1.13 0.35 5.26 1.57 -0.69 -1.91 116.57 121.98 2a7o h LYS 87 Ca 0.12 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2a7o h LYS 87 Cb 0.48 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2a7o h LYS 87 CO -0.36 0.75 -0.17 1.15 -0.57 0.00 0.00 179.45 180.26 2a7o h THR 88 N 1.17 0.00 -0.55 -0.16 2.02 0.52 0.17 112.91 116.07 2a7o h THR 88 Ca 0.32 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2a7o h THR 88 Cb -0.12 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.26 2a7o h THR 88 CO -0.07 0.00 0.30 0.07 0.37 0.00 0.00 175.52 176.19 2a7o h LYS 89 N -1.02 0.76 -0.23 6.66 5.09 -0.99 0.40 116.57 127.24 2a7o h LYS 89 Ca -0.05 -0.07 -0.13 0.00 0.09 0.00 0.00 60.65 60.49 2a7o h LYS 89 Cb 0.36 -0.16 -0.01 0.00 0.10 0.00 0.00 32.23 32.52 2a7o h LYS 89 CO 0.08 0.56 -0.38 0.93 -2.09 0.00 0.00 179.45 178.54 2a7o h GLU 90 N 0.77 0.52 -0.18 0.07 4.39 -1.37 -1.47 114.58 117.31 2a7o h GLU 90 Ca 0.20 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2a7o h GLU 90 Cb 0.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2a7o h GLU 90 CO -0.03 0.83 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.69 2a7o h TYR 91 N 0.44 0.38 -0.24 4.33 3.20 0.97 -1.69 116.97 124.36 2a7o h TYR 91 Ca 0.04 -0.08 0.06 0.00 3.14 0.00 0.00 58.73 61.90 2a7o h TYR 91 Cb 0.86 -0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.97 2a7o h TYR 91 CO 0.03 0.59 -0.27 0.82 -1.64 0.00 0.00 178.16 177.69 2a7o h ILE 92 N 0.06 0.34 -0.01 1.81 1.08 -0.17 0.42 117.51 121.04 2a7o h ILE 92 Ca 0.05 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 2a7o h ILE 92 Cb 0.46 0.34 -0.06 0.00 -3.07 0.00 0.00 36.82 34.50 2a7o h ILE 92 CO 0.02 0.00 -0.39 0.11 -0.69 0.00 0.00 178.15 177.19 2a7o h LYS 93 N -0.28 -0.52 -0.60 2.37 1.57 -1.13 0.16 116.57 118.14 2a7o h LYS 93 Ca 0.13 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2a7o h LYS 93 Cb 0.49 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 2a7o h LYS 93 CO -0.40 -0.35 0.26 -0.22 -0.57 0.00 0.00 179.45 178.16 2a7o h LYS 94 N -0.54 0.86 0.05 3.15 3.64 -0.72 -1.03 116.57 121.97 2a7o h LYS 94 Ca 0.05 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2a7o h LYS 94 Cb 0.63 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2a7o h LYS 94 CO -0.31 0.69 -0.02 -0.92 -2.27 0.00 0.00 179.45 176.62 2a7o h TYR 95 N 0.85 -0.06 0.00 1.91 3.20 0.45 -2.63 116.97 120.70 2a7o h TYR 95 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2a7o h TYR 95 Cb 0.14 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2a7o h TYR 95 CO 0.01 0.16 0.00 0.52 -1.64 0.00 0.00 178.16 177.21 2a7o h MET 96 N -0.27 0.00 0.00 1.82 2.86 0.50 -1.74 114.93 118.11 2a7o h MET 96 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2a7o h MET 96 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 2a7o h MET 96 CO 0.01 0.00 0.00 1.96 1.06 0.00 0.00 176.91 179.94 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -0.87 -2.72 115.11 114.32 2a7o h GLN 97 Ca 0.00 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 2a7o h GLN 97 Cb 0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2a7o h GLN 97 CO 0.00 0.00 -0.63 1.57 -0.95 0.00 0.00 178.83 178.82 2a7o h LYS 98 N 0.00 0.00 -0.08 1.46 5.09 -1.38 -3.26 116.57 118.40 2a7o h LYS 98 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.57 2a7o h LYS 98 Cb 0.30 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.62 2a7o h LYS 98 CO 0.00 0.63 -0.68 0.74 -2.09 0.00 0.00 179.45 178.05 2a7o h PHE 99 N 0.00 0.44 0.00 0.07 0.04 -1.64 -3.49 116.94 112.36 2a7o h PHE 99 Ca -0.01 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 60.58 2a7o h PHE 99 Cb 1.46 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.54 2a7o h PHE 99 CO 0.00 0.91 0.00 0.41 -0.60 0.00 0.00 178.31 179.03 2a7o n GLY 100 N 0.44 0.74 0.12 -1.45 0.00 -1.23 -4.38 105.19 99.42 2a7o n GLY 100 Ca -0.03 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 2a7o n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7o h ALA 101 N 0.00 -0.05 -3.33 4.61 0.00 -1.91 0.15 119.26 118.73 2a7o h ALA 101 Ca 0.00 -0.65 -0.64 0.00 0.00 0.00 0.00 54.91 53.62 2a7o h ALA 101 Cb 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 17.79 17.67 2a7o h ALA 101 CO 0.00 0.35 -0.83 0.14 0.00 0.00 0.00 179.25 178.91 2a7o s VAL 102 N -2.60 2.21 -0.42 0.00 -7.23 -1.26 -0.43 120.40 110.67 2a7o s VAL 102 Ca -0.14 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 57.82 2a7o s VAL 102 Cb 0.01 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.96 2a7o s VAL 102 CO 0.82 -0.10 1.10 -0.47 -0.31 0.00 0.00 175.10 176.14 2a7o s TYR 103 N -1.57 2.95 -0.50 2.82 5.04 0.87 -4.60 117.35 122.36 2a7o s TYR 103 Ca 0.18 0.89 0.03 0.00 -2.44 0.00 0.00 57.07 55.72 2a7o s TYR 103 Cb -0.08 -4.12 0.14 0.00 0.35 0.00 0.00 41.96 38.24 2a7o s TYR 103 CO 0.08 -1.07 0.28 -1.59 -1.34 0.00 0.00 175.55 171.92 2a7o s LYS 104 N 4.11 1.64 0.66 4.97 -2.85 -1.26 -4.49 119.74 122.53 2a7o s LYS 104 Ca 0.46 -2.39 0.43 0.00 -1.00 0.00 0.00 55.97 53.48 2a7o s LYS 104 Cb -0.09 -2.75 2.36 0.00 -2.06 0.00 0.00 37.83 35.29 2a7o s LYS 104 CO 0.25 -1.17 2.35 -1.00 0.10 0.00 0.00 175.35 175.88 2a7o h PRO 105 N 6.43 0.00 -0.04 1.78 0.13 -1.99 -1.56 132.00 136.75 2a7o h PRO 105 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2a7o h PRO 105 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 2a7o h PRO 105 CO 0.57 0.00 0.30 0.87 -0.23 0.00 0.00 178.00 179.51 2a7o h LYS 106 N 0.00 0.00 -0.39 0.86 1.57 -2.02 0.15 116.57 116.74 2a7o h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a7o h LYS 106 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2a7o h LYS 106 CO -0.00 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.03 2a7o n GLU 107 N -3.01 2.89 -1.01 3.15 0.28 -0.58 -5.04 120.64 117.31 2a7o n GLU 107 Ca -0.01 -2.20 -0.32 0.00 -0.16 0.00 0.00 57.16 54.47 2a7o n GLU 107 Cb 0.36 -1.36 0.13 0.00 1.43 0.00 0.00 31.44 32.01 2a7o n GLU 107 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2a7o s ASP 108 N -1.06 3.48 0.00 -1.84 2.15 0.53 -5.04 116.67 114.90 2a7o s ASP 108 Ca 0.28 2.25 0.00 0.00 0.43 0.00 0.00 52.55 55.51 2a7o s ASP 108 Cb 0.16 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2a7o s ASP 108 CO 0.17 -2.73 0.44 0.35 -0.17 0.00 0.00 175.17 173.23