#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 0.81 0.01 1.09 7.64 -1.26 -2.22 113.62 119.69 2a7o n SER 11 Ca 0.00 0.52 -0.12 0.00 1.01 0.00 0.00 58.87 60.28 2a7o n SER 11 Cb 0.00 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.44 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 0.00 0.03 0.90 6.43 4.64 -1.99 -2.04 113.55 121.51 2a7o h SER 12 Ca 0.00 -0.19 -0.23 0.00 -0.47 0.00 0.00 61.79 60.90 2a7o h SER 12 Cb 0.74 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 2a7o h SER 12 CO 0.00 0.21 -1.11 1.05 -0.87 0.00 0.00 176.83 176.11 2a7o h GLU 13 N -0.16 0.04 -0.73 4.77 4.11 -2.00 -3.08 114.58 117.53 2a7o h GLU 13 Ca 0.01 -0.06 0.08 0.00 0.07 0.00 0.00 59.36 59.45 2a7o h GLU 13 Cb 0.19 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 2a7o h GLU 13 CO -0.00 0.98 0.48 1.25 0.07 0.00 0.00 179.01 181.79 2a7o h LEU 14 N 0.01 0.61 0.00 3.06 5.85 -1.42 0.21 115.31 123.63 2a7o h LEU 14 Ca -0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2a7o h LEU 14 Cb 1.82 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.73 2a7o h LEU 14 CO 0.13 0.38 -0.28 0.00 -0.34 0.00 0.00 178.44 178.33 2a7o n ALA 15 N -2.46 2.57 -0.19 1.25 0.00 -0.77 -0.91 120.51 120.00 2a7o n ALA 15 Ca 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 2a7o n ALA 15 Cb 0.28 -1.34 0.11 0.00 0.00 0.00 0.00 19.45 18.51 2a7o n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2a7o h LYS 16 N 0.00 0.99 0.20 0.00 3.64 -0.86 0.25 116.57 120.78 2a7o h LYS 16 Ca 0.00 -0.23 -0.32 0.00 -1.27 0.00 0.00 60.65 58.83 2a7o h LYS 16 Cb 0.75 -0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2a7o h LYS 16 CO 0.00 0.89 -1.49 0.87 -2.27 0.00 0.00 179.45 177.45 2a7o h LYS 17 N 0.94 0.41 -0.38 1.90 6.56 -1.51 -3.33 116.57 121.16 2a7o h LYS 17 Ca 0.20 -0.71 -0.06 0.00 -1.06 0.00 0.00 60.65 59.02 2a7o h LYS 17 Cb 0.37 0.26 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 2a7o h LYS 17 CO 0.00 1.32 -0.02 1.03 -2.06 0.00 0.00 179.45 179.73 2a7o h SER 18 N 0.11 0.57 -0.35 0.86 0.87 -0.52 -0.65 113.55 114.44 2a7o h SER 18 Ca -0.25 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.10 2a7o h SER 18 Cb 2.09 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.89 2a7o h SER 18 CO 0.23 0.65 -0.13 0.11 -0.53 0.00 0.00 176.83 177.16 2a7o h LYS 19 N 0.57 0.71 -0.36 2.24 1.57 -0.67 0.28 116.57 120.91 2a7o h LYS 19 Ca 0.12 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 2a7o h LYS 19 Cb 0.39 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2a7o h LYS 19 CO 0.02 0.89 -0.11 1.05 -0.57 0.00 0.00 179.45 180.72 2a7o h GLU 20 N 0.50 0.71 -0.30 3.15 4.11 -1.56 0.25 114.58 121.44 2a7o h GLU 20 Ca 0.08 -0.28 -0.03 0.00 0.07 0.00 0.00 59.36 59.20 2a7o h GLU 20 Cb 0.65 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2a7o h GLU 20 CO 0.04 0.88 0.07 0.28 0.07 0.00 0.00 179.01 180.35 2a7o h VAL 21 N 0.50 1.22 0.28 -1.06 2.07 -1.03 0.72 116.25 118.95 2a7o h VAL 21 Ca 0.09 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 2a7o h VAL 21 Cb 0.63 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2a7o h VAL 21 CO 0.04 0.25 -0.14 0.15 0.02 0.00 0.00 177.57 177.89 2a7o h PHE 22 N 0.32 -0.35 -0.02 1.57 3.57 -0.31 -0.52 116.94 121.19 2a7o h PHE 22 Ca 0.09 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2a7o h PHE 22 Cb 0.31 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 2a7o h PHE 22 CO 0.02 -0.17 -0.00 0.07 -2.23 0.00 0.00 178.31 175.99 2a7o h ARG 23 N -0.45 0.02 0.31 1.11 -0.00 -0.39 0.21 114.38 115.19 2a7o h ARG 23 Ca -0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.92 2a7o h ARG 23 Cb 0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.31 2a7o h ARG 23 CO 0.06 0.03 -0.15 -0.22 -0.00 0.00 0.00 179.97 179.70 2a7o h LYS 24 N 0.03 -0.40 0.00 0.08 3.11 -0.09 0.19 116.57 119.48 2a7o h LYS 24 Ca 0.01 0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.77 2a7o h LYS 24 Cb 0.02 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 2a7o h LYS 24 CO 0.00 -0.08 -0.51 1.05 -2.81 0.00 0.00 179.45 177.10 2a7o h GLU 25 N -0.79 0.00 -0.01 1.90 4.11 -0.51 -0.71 114.58 118.57 2a7o h GLU 25 Ca -0.04 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.18 2a7o h GLU 25 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2a7o h GLU 25 CO 0.07 0.51 -0.87 1.98 0.07 0.00 0.00 179.01 180.77 2a7o h MET 26 N 0.00 0.29 -0.82 1.06 4.05 -0.64 0.26 114.93 119.13 2a7o h MET 26 Ca -0.01 -0.30 -0.03 0.00 -0.28 0.00 0.00 59.70 59.08 2a7o h MET 26 Cb 0.96 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 2a7o h MET 26 CO 0.07 1.00 0.40 0.77 0.23 0.00 0.00 176.91 179.37 2a7o h SER 27 N 0.17 1.07 -0.20 1.39 0.02 -0.39 0.36 113.55 115.97 2a7o h SER 27 Ca -0.05 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.67 2a7o h SER 27 Cb 1.49 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 2a7o h SER 27 CO 0.14 0.89 -0.29 1.56 -1.14 0.00 0.00 176.83 178.00 2a7o h GLN 28 N 1.17 0.55 -0.33 3.45 1.08 -0.89 0.23 115.11 120.37 2a7o h GLN 28 Ca 0.28 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2a7o h GLN 28 Cb 0.11 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 2a7o h GLN 28 CO -0.04 0.92 0.21 0.35 -0.95 0.00 0.00 178.83 179.33 2a7o h PHE 29 N 0.22 0.42 -0.40 2.96 3.57 -0.20 0.15 116.94 123.66 2a7o h PHE 29 Ca 0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2a7o h PHE 29 Cb 0.86 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2a7o h PHE 29 CO 0.09 0.28 0.13 0.82 -2.23 0.00 0.00 178.31 177.40 2a7o h ILE 30 N 0.44 1.21 -0.55 1.41 2.04 -0.20 0.10 117.51 121.95 2a7o h ILE 30 Ca 0.12 -0.68 0.11 0.00 1.00 0.00 0.00 64.86 65.41 2a7o h ILE 30 Cb -0.03 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 36.87 2a7o h ILE 30 CO -0.02 0.24 0.06 0.58 0.00 0.00 0.00 178.15 179.01 2a7o h VAL 31 N 0.50 0.62 -0.74 1.67 2.07 -0.17 0.31 116.25 120.51 2a7o h VAL 31 Ca 0.13 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2a7o h VAL 31 Cb 0.24 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2a7o h VAL 31 CO -0.01 0.03 0.48 -0.61 0.02 0.00 0.00 177.57 177.49 2a7o h GLN 32 N 0.18 0.93 -0.51 1.57 4.15 -0.20 0.04 115.11 121.27 2a7o h GLN 32 Ca 0.29 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 2a7o h GLN 32 Cb 0.43 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2a7o h GLN 32 CO -0.42 0.62 0.02 0.00 -1.93 0.00 0.00 178.83 177.12 2a7o h LEU 34 N 0.79 0.00 -0.90 0.00 3.38 0.29 -3.36 115.31 115.50 2a7o h LEU 34 Ca 0.15 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.32 2a7o h LEU 34 Cb 0.44 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.02 2a7o h LEU 34 CO 0.02 0.26 -0.15 0.78 0.09 0.00 0.00 178.44 179.43 2a7o h ASN 35 N 0.00 -0.72 0.72 -0.43 2.35 -0.82 0.40 115.58 117.08 2a7o h ASN 35 Ca -0.00 0.27 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 2a7o h ASN 35 Cb 1.17 0.52 0.00 0.00 0.05 0.00 0.00 38.32 40.06 2a7o h ASN 35 CO 0.03 -0.30 0.00 1.55 -1.65 0.00 0.00 177.43 177.07 2a7o h PRO 36 N 0.01 0.00 0.00 0.81 0.13 -1.75 -2.88 132.00 128.32 2a7o h PRO 36 Ca 0.46 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.47 2a7o h PRO 36 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 2a7o h PRO 36 CO -0.90 0.00 -1.03 1.88 -0.23 0.00 0.00 178.00 177.72 2a7o h TYR 37 N 0.00 0.00 -0.01 1.56 -1.99 -1.16 -3.26 116.97 112.11 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 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 2a7o h TYR 37 CO 0.00 0.49 -0.04 2.89 -0.00 0.00 0.00 178.16 181.50 2a7o n ARG 38 N -2.99 1.19 -2.30 4.88 1.85 -0.89 -0.01 116.66 118.37 2a7o n ARG 38 Ca -0.04 -0.47 -0.37 0.00 -1.00 0.00 0.00 57.85 55.96 2a7o n ARG 38 Cb 0.77 -1.49 -0.02 0.00 -1.05 0.00 0.00 32.46 30.67 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 3.87 0.32 2.89 -0.14 -1.23 -4.72 119.74 118.59 2a7o s LYS 39 Ca 0.38 1.75 0.26 0.00 -1.36 0.00 0.00 55.97 57.00 2a7o s LYS 39 Cb 0.21 -2.48 1.10 0.00 -1.68 0.00 0.00 37.83 34.99 2a7o s LYS 39 CO 0.39 -0.45 1.77 -1.00 -0.76 0.00 0.00 175.35 175.30 2a7o h PRO 40 N 2.22 0.00 -0.55 -1.68 0.13 -1.91 -1.99 132.00 128.22 2a7o h PRO 40 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2a7o h PRO 40 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2a7o h PRO 40 CO 0.61 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.91 2a7o n ASP 41 N -2.41 3.97 -4.69 1.44 2.03 -1.26 -4.97 116.55 110.66 2a7o n ASP 41 Ca 0.01 -2.27 -0.44 0.00 0.52 0.00 0.00 54.79 52.61 2a7o n ASP 41 Cb 0.22 -0.46 -0.03 0.00 -0.72 0.00 0.00 41.12 40.13 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 5.55 0.17 -3.04 0.00 1.57 -1.89 -3.44 116.57 115.50 2a7o h LYS 43 Ca -0.45 -0.29 -0.23 0.00 -1.87 0.00 0.00 60.65 57.81 2a7o h LYS 43 Cb 1.25 0.11 -0.32 0.00 0.08 0.00 0.00 32.23 33.34 2a7o h LYS 43 CO 0.86 0.99 -0.55 0.54 -0.57 0.00 0.00 179.45 180.72 2a7o s VAL 44 N -2.62 -0.19 -0.60 0.50 0.11 -1.26 -4.48 120.40 111.85 2a7o s VAL 44 Ca -0.07 0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 59.21 2a7o s VAL 44 Cb 0.07 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.57 2a7o s VAL 44 CO 0.84 0.10 0.50 0.61 -3.33 0.00 0.00 175.10 173.82 2a7o n GLY 45 N 4.77 0.03 3.64 6.54 0.00 -0.63 -4.86 105.19 114.67 2a7o n GLY 45 Ca -0.16 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.64 3.97 -0.25 1.61 3.52 0.87 -4.45 118.95 119.57 2a7o s ARG 46 Ca 0.01 1.70 -0.29 0.00 -0.13 0.00 0.00 55.73 57.02 2a7o s ARG 46 Cb -0.00 -3.95 -0.01 0.00 -1.56 0.00 0.00 34.95 29.43 2a7o s ARG 46 CO 0.37 -1.07 1.33 0.42 -0.81 0.00 0.00 175.30 175.54 2a7o s ILE 47 N 4.54 4.12 0.04 4.11 1.01 0.98 0.21 121.20 136.21 2a7o s ILE 47 Ca 0.66 1.29 -0.28 0.00 0.00 0.00 0.00 60.65 62.33 2a7o s ILE 47 Cb -0.25 -4.05 -0.15 0.00 0.01 0.00 0.00 42.46 38.02 2a7o s ILE 47 CO 0.26 -0.35 1.40 0.71 0.00 0.00 0.00 174.94 176.96 2a7o h THR 48 N 5.85 0.00 -3.00 2.92 1.35 -1.88 -3.41 112.91 114.73 2a7o h THR 48 Ca -0.27 -0.01 -0.44 0.00 -0.55 0.00 0.00 66.41 65.14 2a7o h THR 48 Cb 1.11 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.38 2a7o h THR 48 CO 1.01 0.00 -0.74 -0.89 -0.25 0.00 0.00 175.52 174.66 2a7o s THR 49 N -5.18 1.66 0.27 6.82 2.01 -1.26 -5.03 115.64 114.93 2a7o s THR 49 Ca -0.15 -2.15 -0.04 0.00 0.31 0.00 0.00 61.69 59.66 2a7o s THR 49 Cb 0.01 -1.98 0.24 0.00 0.01 0.00 0.00 72.50 70.78 2a7o s THR 49 CO 0.44 -0.59 1.92 0.00 -0.69 0.00 0.00 174.62 175.70 2a7o h THR 50 N 2.67 1.24 -0.42 -0.82 1.03 -1.98 0.14 112.91 114.77 2a7o h THR 50 Ca -0.38 -0.52 -0.02 0.00 -0.01 0.00 0.00 66.41 65.49 2a7o h THR 50 Cb 1.21 0.03 -0.02 0.00 -1.07 0.00 0.00 68.15 68.30 2a7o h THR 50 CO 0.61 0.25 0.19 1.05 -0.01 0.00 0.00 175.52 177.61 2a7o h GLU 51 N 1.18 0.59 -0.04 0.00 4.11 -1.98 0.98 114.58 119.41 2a7o h GLU 51 Ca 0.31 -0.07 -0.21 0.00 0.07 0.00 0.00 59.36 59.46 2a7o h GLU 51 Cb -0.05 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.10 2a7o h GLU 51 CO -0.06 0.47 -0.78 -0.44 0.07 0.00 0.00 179.01 178.27 2a7o h ASP 52 N 0.59 0.75 0.06 3.06 3.32 -1.66 -0.20 116.42 122.33 2a7o h ASP 52 Ca 0.15 -0.72 0.02 0.00 0.02 0.00 0.00 57.03 56.50 2a7o h ASP 52 Cb 0.08 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 2a7o h ASP 52 CO -0.02 1.36 -0.22 0.15 -1.72 0.00 0.00 179.24 178.80 2a7o h PHE 53 N 0.21 -0.57 -0.62 4.55 3.04 -0.26 -0.38 116.94 122.90 2a7o h PHE 53 Ca -0.09 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.79 2a7o h PHE 53 Cb 1.45 0.25 -0.02 0.00 2.56 0.00 0.00 35.95 40.18 2a7o h PHE 53 CO 0.12 -0.31 0.06 0.87 -2.02 0.00 0.00 178.31 177.04 2a7o h LYS 54 N -0.37 1.05 -0.16 1.11 1.57 -0.82 0.13 116.57 119.07 2a7o h LYS 54 Ca 0.04 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2a7o h LYS 54 Cb 0.42 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2a7o h LYS 54 CO -0.16 0.98 0.10 1.25 -0.57 0.00 0.00 179.45 181.06 2a7o h HIS 55 N 0.97 0.20 -0.26 -1.35 2.76 -0.70 -1.09 115.15 115.68 2a7o h HIS 55 Ca 0.19 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.22 2a7o h HIS 55 Cb 0.47 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 2a7o h HIS 55 CO 0.03 0.13 -0.40 1.25 -1.30 0.00 0.00 177.93 177.64 2a7o h LEU 56 N 0.21 0.80 -0.94 0.26 5.85 -0.88 -0.91 115.31 119.71 2a7o h LEU 56 Ca 0.06 -0.52 0.12 0.00 0.84 0.00 0.00 57.88 58.38 2a7o h LEU 56 Cb -0.02 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 2a7o h LEU 56 CO -0.01 1.17 0.57 0.00 -0.34 0.00 0.00 178.44 179.82 2a7o h ALA 57 N 0.66 1.39 -0.29 1.25 0.00 -0.45 0.23 119.26 122.06 2a7o h ALA 57 Ca 0.02 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2a7o h ALA 57 Cb 1.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2a7o h ALA 57 CO 0.09 0.15 0.03 0.00 0.00 0.00 0.00 179.25 179.52 2a7o h ARG 58 N 0.90 0.49 -0.53 0.00 3.08 -1.03 -1.50 114.38 115.78 2a7o h ARG 58 Ca 0.47 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 2a7o h ARG 58 Cb 0.47 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2a7o h ARG 58 CO -0.27 0.61 0.06 -0.22 -1.07 0.00 0.00 179.97 179.08 2a7o h LYS 59 N 0.29 0.90 -0.38 0.04 3.64 0.39 -0.73 116.57 120.71 2a7o h LYS 59 Ca 0.08 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 2a7o h LYS 59 Cb 0.38 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2a7o h LYS 59 CO 0.01 0.89 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.82 2a7o h LEU 60 N 0.78 0.83 -0.98 5.20 3.38 -0.62 -0.89 115.31 123.01 2a7o h LEU 60 Ca 0.16 -0.41 0.06 0.00 0.09 0.00 0.00 57.88 57.78 2a7o h LEU 60 Cb 0.45 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2a7o h LEU 60 CO 0.02 1.05 0.63 0.74 0.09 0.00 0.00 178.44 180.97 2a7o h THR 61 N 0.60 1.10 -0.26 0.22 2.02 -1.00 -1.47 112.91 114.13 2a7o h THR 61 Ca 0.08 -0.40 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 2a7o h THR 61 Cb 0.74 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2a7o h THR 61 CO 0.06 0.21 -0.37 -0.74 0.37 0.00 0.00 175.52 175.05 2a7o h HIS 62 N 1.16 0.67 -0.13 3.16 -0.00 -0.72 -2.08 115.15 117.21 2a7o h HIS 62 Ca 0.41 -0.18 -0.21 0.00 -0.00 0.00 0.00 60.37 60.39 2a7o h HIS 62 Cb 0.13 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 27.40 2a7o h HIS 62 CO -0.01 0.86 -0.73 0.78 -0.00 0.00 0.00 177.93 178.83 2a7o h GLY 63 N 1.04 0.79 1.18 5.26 0.00 -0.27 -1.32 103.07 109.77 2a7o h GLY 63 Ca 0.05 -1.15 -0.12 0.00 0.00 0.00 0.00 47.33 46.12 2a7o h GLY 63 CO 0.07 1.02 -0.15 -2.08 0.00 0.00 0.00 176.54 175.40 2a7o h VAL 64 N 0.42 1.27 -0.40 4.60 2.07 -1.28 -0.84 116.25 122.09 2a7o h VAL 64 Ca -0.06 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 2a7o h VAL 64 Cb 1.37 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2a7o h VAL 64 CO 0.15 0.45 0.20 -0.03 0.02 0.00 0.00 177.57 178.36 2a7o h MET 65 N 0.83 0.57 -0.51 1.57 -1.53 -1.37 -0.14 114.93 114.35 2a7o h MET 65 Ca 0.12 -0.08 -0.05 0.00 -3.44 0.00 0.00 59.70 56.25 2a7o h MET 65 Cb 0.70 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.63 2a7o h MET 65 CO 0.05 0.49 0.14 -0.91 0.14 0.00 0.00 176.91 176.82 2a7o h ASN 66 N 0.50 0.77 -0.24 1.39 2.35 -1.02 0.54 115.58 119.87 2a7o h ASN 66 Ca 0.14 -0.22 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2a7o h ASN 66 Cb 0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2a7o h ASN 66 CO -0.02 0.79 0.14 0.11 -1.65 0.00 0.00 177.43 176.81 2a7o h LYS 67 N 0.71 0.33 -0.09 0.81 1.57 -0.59 0.74 116.57 120.06 2a7o h LYS 67 Ca 0.16 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.67 2a7o h LYS 67 Cb 0.32 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.57 2a7o h LYS 67 CO -0.00 0.28 -0.89 1.05 -0.57 0.00 0.00 179.45 179.32 2a7o h GLU 68 N 0.30 0.76 0.00 3.15 4.11 -0.98 -1.31 114.58 120.60 2a7o h GLU 68 Ca 0.09 -0.69 -0.00 0.00 0.07 0.00 0.00 59.36 58.82 2a7o h GLU 68 Cb 0.03 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2a7o h GLU 68 CO -0.02 1.28 -0.02 -0.07 0.07 0.00 0.00 179.01 180.26 2a7o h LEU 69 N 0.48 0.00 0.00 3.06 3.38 -0.72 0.85 115.31 122.36 2a7o h LEU 69 Ca -0.08 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.67 2a7o h LEU 69 Cb 1.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 2a7o h LEU 69 CO 0.18 0.02 -1.20 0.07 0.09 0.00 0.00 178.44 177.60 2a7o h LYS 70 N 0.00 0.00 0.02 1.13 2.10 -0.39 -3.37 116.57 116.07 2a7o h LYS 70 Ca -0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 2a7o h LYS 70 Cb 0.05 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.33 2a7o h LYS 70 CO 0.00 0.67 -2.09 0.66 -2.00 0.00 0.00 179.45 176.70 2a7o n TYR 71 N -3.18 0.60 -3.20 0.07 4.01 -0.54 -4.64 117.16 110.29 2a7o n TYR 71 Ca -0.06 0.18 -0.46 0.00 -0.16 0.00 0.00 57.90 57.40 2a7o n TYR 71 Cb 0.93 -1.10 -0.04 0.00 -0.31 0.00 0.00 39.34 38.83 2a7o n TYR 71 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2a7o h LYS 73 N 8.66 0.00 -5.08 0.00 1.79 -1.80 -3.39 116.57 116.74 2a7o h LYS 73 Ca -0.13 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.69 2a7o h LYS 73 Cb 1.07 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.45 2a7o h LYS 73 CO 0.99 0.07 -0.72 0.54 -1.08 0.00 0.00 179.45 179.24 2a7o s ASN 74 N -5.79 4.36 0.00 0.86 2.20 -1.26 -4.96 114.94 110.35 2a7o s ASN 74 Ca -0.01 -0.34 0.11 0.00 -0.94 0.00 0.00 52.86 51.68 2a7o s ASN 74 Cb 0.11 -1.73 0.65 0.00 -2.00 0.00 0.00 41.25 38.27 2a7o s ASN 74 CO 0.55 0.03 1.15 -0.81 -2.94 0.00 0.00 177.10 175.08 2a7o n PRO 75 N 4.43 0.63 0.02 3.55 -0.04 -1.26 -1.82 135.00 140.52 2a7o n PRO 75 Ca -0.18 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.35 2a7o n PRO 75 Cb 0.51 -1.27 0.29 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.77 0.03 -0.01 0.54 2.13 -1.26 -1.32 120.64 119.98 2a7o n GLU 76 Ca 0.08 0.33 0.02 0.00 0.66 0.00 0.00 57.16 58.25 2a7o n GLU 76 Cb 0.04 -1.56 0.02 0.00 0.27 0.00 0.00 31.44 30.21 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 -1.62 1.51 -4.43 4.31 2.03 -0.76 -4.88 116.55 112.71 2a7o n ASP 77 Ca 0.03 -1.31 -0.44 0.00 0.52 0.00 0.00 54.79 53.59 2a7o n ASP 77 Cb 0.14 -0.01 -0.04 0.00 -0.72 0.00 0.00 41.12 40.49 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 -0.46 4.84 -0.02 -2.67 2.96 -0.43 -4.94 118.68 117.96 2a7o s LEU 78 Ca 0.06 -1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 52.51 2a7o s LEU 78 Cb 0.04 -2.38 0.01 0.00 0.50 0.00 0.00 46.19 44.36 2a7o s LEU 78 CO 0.05 -1.26 0.19 -0.70 -1.32 0.00 0.00 176.35 173.32 2a7o s GLU 79 N 3.33 0.45 -1.37 1.98 2.56 -1.26 -4.76 118.70 119.64 2a7o s GLU 79 Ca 0.22 -0.17 -0.12 0.00 0.00 0.00 0.00 54.97 54.90 2a7o s GLU 79 Cb -0.16 0.20 0.10 0.00 2.00 0.00 0.00 34.13 36.27 2a7o s GLU 79 CO 0.04 -0.10 2.03 0.00 -0.56 0.00 0.00 175.26 176.67 2a7o s ASN 81 N 2.14 5.01 0.16 0.00 2.20 -1.26 -4.83 114.94 118.36 2a7o s ASN 81 Ca 0.44 -0.79 -0.22 0.00 -0.94 0.00 0.00 52.86 51.34 2a7o s ASN 81 Cb 0.11 0.26 0.06 0.00 -2.00 0.00 0.00 41.25 39.68 2a7o s ASN 81 CO -0.04 -1.40 1.61 -0.08 -2.94 0.00 0.00 177.10 174.24 2a7o h GLU 82 N 0.09 -0.24 -0.21 3.55 4.81 -1.98 0.54 114.58 121.15 2a7o h GLU 82 Ca -0.31 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 2a7o h GLU 82 Cb 1.29 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.67 2a7o h GLU 82 CO 0.41 -0.16 -0.08 -0.91 -0.73 0.00 0.00 179.01 177.53 2a7o h ASN 83 N -0.24 -0.29 -0.27 1.04 2.35 -1.95 0.28 115.58 116.50 2a7o h ASN 83 Ca 0.17 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2a7o h ASN 83 Cb 0.52 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 2a7o h ASN 83 CO -0.51 -0.11 0.15 0.58 -1.65 0.00 0.00 177.43 175.89 2a7o h VAL 84 N -0.05 1.11 -0.21 2.81 2.07 -1.51 -1.37 116.25 119.10 2a7o h VAL 84 Ca 0.11 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.38 2a7o h VAL 84 Cb 0.22 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2a7o h VAL 84 CO -0.24 0.11 -0.07 0.11 0.02 0.00 0.00 177.57 177.50 2a7o h LYS 85 N 0.33 -0.03 -0.23 1.57 1.57 0.40 0.90 116.57 121.08 2a7o h LYS 85 Ca 0.10 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 2a7o h LYS 85 Cb 0.05 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.31 2a7o h LYS 85 CO -0.02 -0.02 -0.12 1.25 -0.57 0.00 0.00 179.45 179.97 2a7o h HIS 86 N -0.03 -0.30 -0.17 -1.35 2.76 -0.10 0.23 115.15 116.18 2a7o h HIS 86 Ca 0.10 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 2a7o h HIS 86 Cb 0.19 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 2a7o h HIS 86 CO -0.24 -0.19 -0.12 0.87 -1.30 0.00 0.00 177.93 176.95 2a7o h LYS 87 N -0.10 0.27 0.33 5.26 1.57 -0.77 -1.71 116.57 121.42 2a7o h LYS 87 Ca 0.13 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2a7o h LYS 87 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2a7o h LYS 87 CO -0.30 0.41 -0.16 1.15 -0.57 0.00 0.00 179.45 179.98 2a7o h THR 88 N 0.26 0.01 -0.27 -0.16 2.02 0.98 0.14 112.91 115.88 2a7o h THR 88 Ca 0.05 -0.68 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 2a7o h THR 88 Cb 0.39 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2a7o h THR 88 CO 0.02 0.00 0.06 0.07 0.37 0.00 0.00 175.52 176.05 2a7o h LYS 89 N -1.12 0.39 -0.28 6.66 5.09 -0.61 0.39 116.57 127.09 2a7o h LYS 89 Ca -0.05 -0.05 -0.13 0.00 0.09 0.00 0.00 60.65 60.51 2a7o h LYS 89 Cb 0.34 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.59 2a7o h LYS 89 CO 0.07 0.37 -0.37 0.93 -2.09 0.00 0.00 179.45 178.36 2a7o h GLU 90 N 0.39 0.64 -0.14 0.07 4.39 -1.34 -1.36 114.58 117.22 2a7o h GLU 90 Ca 0.09 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 2a7o h GLU 90 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2a7o h GLU 90 CO -0.00 0.91 0.01 -0.92 -1.16 0.00 0.00 179.01 177.85 2a7o h TYR 91 N 0.53 0.27 -0.30 4.33 3.20 0.12 -1.61 116.97 123.50 2a7o h TYR 91 Ca 0.05 -0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.95 2a7o h TYR 91 Cb 0.89 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.01 2a7o h TYR 91 CO 0.04 0.46 -0.25 0.82 -1.64 0.00 0.00 178.16 177.59 2a7o h ILE 92 N 0.00 0.37 0.01 1.81 1.08 -0.22 0.41 117.51 120.97 2a7o h ILE 92 Ca 0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.54 2a7o h ILE 92 Cb 0.34 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.41 2a7o h ILE 92 CO 0.01 0.00 -0.33 0.11 -0.69 0.00 0.00 178.15 177.24 2a7o h LYS 93 N -0.22 -0.48 -0.15 2.37 1.57 -1.04 0.16 116.57 118.79 2a7o h LYS 93 Ca 0.16 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2a7o h LYS 93 Cb 0.47 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 2a7o h LYS 93 CO -0.43 -0.32 -0.20 0.87 -0.57 0.00 0.00 179.45 178.80 2a7o h LYS 94 N -0.50 0.26 0.28 3.15 1.57 -0.63 -1.02 116.57 119.68 2a7o h LYS 94 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2a7o h LYS 94 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2a7o h LYS 94 CO -0.27 0.46 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.01 2a7o h TYR 95 N 0.24 -0.35 0.00 -1.35 3.20 0.47 -3.09 116.97 116.09 2a7o h TYR 95 Ca 0.04 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2a7o h TYR 95 Cb 0.50 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2a7o h TYR 95 CO 0.01 -0.04 0.00 0.52 -1.64 0.00 0.00 178.16 177.00 2a7o h MET 96 N -0.66 0.00 0.00 1.82 2.86 0.36 -0.98 114.93 118.33 2a7o h MET 96 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2a7o h MET 96 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2a7o h MET 96 CO 0.06 0.00 0.00 1.96 1.06 0.00 0.00 176.91 179.99 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.14 -1.87 115.11 114.90 2a7o h GLN 97 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2a7o h GLN 97 Cb 0.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2a7o h GLN 97 CO 0.00 0.00 0.00 1.57 -0.95 0.00 0.00 178.83 179.45 2a7o h LYS 98 N 0.00 0.00 0.00 1.46 2.10 -1.27 -3.24 116.57 115.62 2a7o h LYS 98 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 2a7o h LYS 98 Cb 0.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.51 2a7o h LYS 98 CO 0.00 0.00 -0.57 0.74 -2.00 0.00 0.00 179.45 177.62 2a7o h PHE 99 N 0.00 0.00 0.00 0.07 0.04 -1.50 -3.49 116.94 112.06 2a7o h PHE 99 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2a7o h PHE 99 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 2a7o h PHE 99 CO 0.00 0.57 0.00 0.41 -0.60 0.00 0.00 178.31 178.69 2a7o n GLY 100 N 1.24 0.89 0.13 -1.45 0.00 -1.22 -4.23 105.19 100.55 2a7o n GLY 100 Ca 0.02 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.71 2a7o n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a7o n ALA 101 N 1.90 1.01 -2.43 4.61 0.00 -1.26 -1.61 120.51 122.73 2a7o n ALA 101 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 53.44 52.46 2a7o n ALA 101 Cb 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 19.45 18.82 2a7o n ALA 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2a7o s VAL 102 N -2.53 2.34 -0.63 0.00 1.01 -1.26 -0.09 120.40 119.23 2a7o s VAL 102 Ca -0.26 -2.07 -0.25 0.00 0.00 0.00 0.00 61.98 59.40 2a7o s VAL 102 Cb 0.07 -2.13 0.05 0.00 0.00 0.00 0.00 36.38 34.37 2a7o s VAL 102 CO 0.71 -0.16 1.05 -0.47 0.00 0.00 0.00 175.10 176.22 2a7o s TYR 103 N -1.79 2.63 -0.61 5.22 5.04 0.13 -4.50 117.35 123.47 2a7o s TYR 103 Ca 0.21 -0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.68 2a7o s TYR 103 Cb -0.07 -4.31 0.16 0.00 0.35 0.00 0.00 41.96 38.08 2a7o s TYR 103 CO 0.10 -1.63 0.41 0.15 -1.34 0.00 0.00 175.55 173.24 2a7o s LYS 104 N 4.47 2.45 0.46 4.97 1.02 -1.26 -4.50 119.74 127.34 2a7o s LYS 104 Ca 0.30 -2.58 0.31 0.00 0.02 0.00 0.00 55.97 54.02 2a7o s LYS 104 Cb -0.12 -3.64 1.63 0.00 -0.52 0.00 0.00 37.83 35.18 2a7o s LYS 104 CO 0.16 -1.16 1.96 -1.00 -0.92 0.00 0.00 175.35 174.39 2a7o h PRO 105 N 6.87 0.00 0.00 -1.68 0.13 -1.98 -1.32 132.00 134.01 2a7o h PRO 105 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2a7o h PRO 105 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 2a7o h PRO 105 CO 0.71 0.00 0.15 1.57 -0.23 0.00 0.00 178.00 180.20 2a7o h LYS 106 N 0.00 0.00 -0.40 0.86 2.10 -2.02 0.12 116.57 117.23 2a7o h LYS 106 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2a7o h LYS 106 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2a7o h LYS 106 CO 0.00 0.00 0.00 -0.85 -2.00 0.00 0.00 179.45 176.60 2a7o n GLU 107 N -2.72 2.89 -1.39 0.07 0.28 -0.50 -5.03 120.64 114.24 2a7o n GLU 107 Ca -0.02 -2.21 -0.30 0.00 -0.16 0.00 0.00 57.16 54.47 2a7o n GLU 107 Cb 0.20 -1.37 0.11 0.00 1.43 0.00 0.00 31.44 31.81 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 4.15 0.00 -1.84 2.15 0.42 -5.04 116.67 115.46 2a7o s ASP 108 Ca 0.29 1.44 0.30 0.00 0.43 0.00 0.00 52.55 55.01 2a7o s ASP 108 Cb 0.16 -2.16 1.57 0.00 -0.30 0.00 0.00 42.92 42.19 2a7o s ASP 108 CO 0.18 -2.20 2.04 1.07 -0.17 0.00 0.00 175.17 176.08