#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 0.71 0.18 3.42 7.64 -1.26 -1.59 113.62 122.72 2a7o n SER 11 Ca 0.00 0.61 -0.14 0.00 1.01 0.00 0.00 58.87 60.35 2a7o n SER 11 Cb 0.00 -0.78 -0.07 0.00 -1.01 0.00 0.00 64.21 62.35 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 -0.57 0.74 6.43 4.64 -2.00 -0.40 113.55 122.39 2a7o h SER 12 Ca 0.00 0.05 -0.26 0.00 -0.47 0.00 0.00 61.79 61.11 2a7o h SER 12 Cb 0.56 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 2a7o h SER 12 CO 0.00 -0.33 -1.23 1.05 -0.87 0.00 0.00 176.83 175.45 2a7o h GLU 13 N -0.50 0.14 -0.45 4.77 4.11 -1.98 -3.13 114.58 117.53 2a7o h GLU 13 Ca -0.02 -0.24 -0.02 0.00 0.07 0.00 0.00 59.36 59.16 2a7o h GLU 13 Cb 0.44 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2a7o h GLU 13 CO -0.02 1.06 0.19 1.25 0.07 0.00 0.00 179.01 181.56 2a7o h LEU 14 N 0.04 0.57 0.00 3.06 7.12 -1.25 -0.87 115.31 123.98 2a7o h LEU 14 Ca -0.12 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 57.84 2a7o h LEU 14 Cb 1.90 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.89 2a7o h LEU 14 CO 0.16 0.51 -0.24 0.00 -0.13 0.00 0.00 178.44 178.74 2a7o n ALA 15 N -2.47 2.82 -0.12 1.25 0.00 -0.17 -1.29 120.51 120.53 2a7o n ALA 15 Ca 0.03 -0.20 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 2a7o n ALA 15 Cb 0.14 -1.32 0.19 0.00 0.00 0.00 0.00 19.45 18.46 2a7o n ALA 15 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2a7o h LYS 16 N 0.00 0.81 0.20 0.00 1.57 -1.10 0.31 116.57 118.36 2a7o h LYS 16 Ca 0.00 -0.18 -0.27 0.00 -1.87 0.00 0.00 60.65 58.33 2a7o h LYS 16 Cb 0.55 -0.11 0.03 0.00 0.08 0.00 0.00 32.23 32.77 2a7o h LYS 16 CO 0.00 0.75 -1.21 0.87 -0.57 0.00 0.00 179.45 179.29 2a7o h LYS 17 N 0.77 0.42 -0.23 3.15 6.56 -1.47 -3.28 116.57 122.49 2a7o h LYS 17 Ca 0.16 -0.72 -0.07 0.00 -1.06 0.00 0.00 60.65 58.97 2a7o h LYS 17 Cb 0.34 0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 32.25 2a7o h LYS 17 CO 0.00 1.35 -0.15 0.77 -2.06 0.00 0.00 179.45 179.36 2a7o h SER 18 N -0.10 0.38 -0.42 0.86 0.02 -0.89 0.64 113.55 114.05 2a7o h SER 18 Ca -0.22 -0.10 -0.14 0.00 -0.84 0.00 0.00 61.79 60.50 2a7o h SER 18 Cb 1.93 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.36 2a7o h SER 18 CO 0.21 0.56 -0.28 0.11 -1.14 0.00 0.00 176.83 176.29 2a7o h LYS 19 N 0.37 0.95 -0.10 3.45 1.57 -0.53 0.32 116.57 122.60 2a7o h LYS 19 Ca 0.07 -0.44 -0.21 0.00 -1.87 0.00 0.00 60.65 58.20 2a7o h LYS 19 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2a7o h LYS 19 CO 0.03 1.11 -0.78 1.05 -0.57 0.00 0.00 179.45 180.28 2a7o h GLU 20 N 0.80 0.59 -0.16 3.15 4.11 -1.52 0.19 114.58 121.74 2a7o h GLU 20 Ca 0.09 -0.50 -0.03 0.00 0.07 0.00 0.00 59.36 58.99 2a7o h GLU 20 Cb 0.87 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2a7o h GLU 20 CO 0.08 1.12 -0.03 0.28 0.07 0.00 0.00 179.01 180.53 2a7o h VAL 21 N 0.39 1.28 0.08 -1.06 2.07 -0.77 0.13 116.25 118.37 2a7o h VAL 21 Ca -0.05 -0.97 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 2a7o h VAL 21 Cb 1.39 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2a7o h VAL 21 CO 0.15 0.29 -0.04 0.15 0.02 0.00 0.00 177.57 178.14 2a7o h PHE 22 N 0.02 -0.10 -0.07 1.57 3.57 -0.34 -0.63 116.94 120.97 2a7o h PHE 22 Ca 0.04 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 2a7o h PHE 22 Cb 0.45 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2a7o h PHE 22 CO 0.05 -0.04 -0.04 0.07 -2.23 0.00 0.00 178.31 176.12 2a7o h ARG 23 N -0.13 0.09 -0.04 1.11 -0.00 -0.58 0.26 114.38 115.09 2a7o h ARG 23 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 2a7o h ARG 23 Cb 0.10 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.06 2a7o h ARG 23 CO 0.02 0.15 -0.03 -0.22 -0.00 0.00 0.00 179.97 179.88 2a7o h LYS 24 N 0.09 0.10 0.00 0.08 1.63 -0.02 0.11 116.57 118.57 2a7o h LYS 24 Ca 0.02 -0.05 -0.11 0.00 -0.85 0.00 0.00 60.65 59.66 2a7o h LYS 24 Cb 0.14 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 2a7o h LYS 24 CO 0.01 0.53 -0.54 1.05 -3.45 0.00 0.00 179.45 177.04 2a7o h GLU 25 N -0.33 0.00 -0.27 1.90 4.11 -0.63 0.91 114.58 120.27 2a7o h GLU 25 Ca 0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.25 2a7o h GLU 25 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2a7o h GLU 25 CO 0.01 0.54 -0.56 1.98 0.07 0.00 0.00 179.01 181.05 2a7o h MET 26 N 0.00 0.83 -0.69 1.06 4.05 -0.50 0.23 114.93 119.92 2a7o h MET 26 Ca -0.01 -0.54 -0.01 0.00 -0.28 0.00 0.00 59.70 58.87 2a7o h MET 26 Cb 1.09 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.92 2a7o h MET 26 CO 0.07 1.17 0.39 0.77 0.23 0.00 0.00 176.91 179.54 2a7o h SER 27 N 0.63 0.85 -0.30 1.39 0.02 -0.24 0.35 113.55 116.25 2a7o h SER 27 Ca 0.01 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 2a7o h SER 27 Cb 1.17 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 2a7o h SER 27 CO 0.12 0.68 -0.11 1.56 -1.14 0.00 0.00 176.83 177.94 2a7o h GLN 28 N 0.94 0.61 0.02 3.45 1.08 -0.64 0.37 115.11 120.95 2a7o h GLN 28 Ca 0.24 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2a7o h GLN 28 Cb 0.01 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2a7o h GLN 28 CO -0.04 0.83 -0.03 0.35 -0.95 0.00 0.00 178.83 178.98 2a7o h PHE 29 N 0.37 -0.08 -0.34 2.96 3.57 -0.27 -0.15 116.94 123.01 2a7o h PHE 29 Ca 0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2a7o h PHE 29 Cb 0.62 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2a7o h PHE 29 CO 0.06 -0.05 0.10 0.82 -2.23 0.00 0.00 178.31 177.01 2a7o h ILE 30 N -0.07 1.21 -0.53 1.41 2.04 -0.15 0.87 117.51 122.29 2a7o h ILE 30 Ca 0.01 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.28 2a7o h ILE 30 Cb 0.07 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 2a7o h ILE 30 CO -0.02 0.23 0.05 0.58 0.00 0.00 0.00 178.15 178.99 2a7o h VAL 31 N 0.39 0.63 -0.52 1.67 2.07 -0.14 0.47 116.25 120.82 2a7o h VAL 31 Ca 0.11 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2a7o h VAL 31 Cb 0.26 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2a7o h VAL 31 CO -0.00 0.03 0.33 -0.61 0.02 0.00 0.00 177.57 177.34 2a7o h GLN 32 N 0.17 0.69 -0.34 1.57 5.75 -0.52 0.73 115.11 123.17 2a7o h GLN 32 Ca 0.27 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.65 2a7o h GLN 32 Cb 0.40 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 2a7o h GLN 32 CO -0.41 0.48 -0.07 0.00 -2.65 0.00 0.00 178.83 176.18 2a7o h LEU 34 N 0.52 0.00 -0.93 0.00 3.38 0.48 -3.37 115.31 115.40 2a7o h LEU 34 Ca 0.10 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.26 2a7o h LEU 34 Cb 0.45 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.02 2a7o h LEU 34 CO 0.02 0.31 -0.21 0.78 0.09 0.00 0.00 178.44 179.44 2a7o h ASN 35 N 0.00 -0.82 0.50 -0.43 2.35 -0.54 0.13 115.58 116.77 2a7o h ASN 35 Ca -0.00 0.28 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2a7o h ASN 35 Cb 1.24 0.56 0.00 0.00 0.05 0.00 0.00 38.32 40.17 2a7o h ASN 35 CO 0.04 -0.31 0.00 1.55 -1.65 0.00 0.00 177.43 177.06 2a7o h PRO 36 N 0.00 0.00 0.00 0.81 0.13 -1.75 -2.63 132.00 128.56 2a7o h PRO 36 Ca 0.45 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.42 2a7o h PRO 36 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 2a7o h PRO 36 CO -0.94 0.00 -0.99 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 -0.99 -3.23 116.97 112.31 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 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 2a7o h TYR 37 CO 0.00 0.70 0.00 2.89 -0.00 0.00 0.00 178.16 181.75 2a7o n ARG 38 N -3.15 1.56 -2.54 4.88 1.85 -0.95 0.09 116.66 118.40 2a7o n ARG 38 Ca -0.03 -0.81 -0.39 0.00 -1.00 0.00 0.00 57.85 55.62 2a7o n ARG 38 Cb 0.85 -1.48 -0.04 0.00 -1.05 0.00 0.00 32.46 30.73 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 -2.00 4.49 0.00 2.89 -0.14 -1.22 -4.72 119.74 119.04 2a7o s LYS 39 Ca 0.39 1.65 0.12 0.00 -1.36 0.00 0.00 55.97 56.77 2a7o s LYS 39 Cb 0.21 -2.95 0.51 0.00 -1.68 0.00 0.00 37.83 33.93 2a7o s LYS 39 CO 0.34 0.12 1.35 -0.35 -0.76 0.00 0.00 175.35 176.05 2a7o n PRO 40 N 0.73 0.03 -0.16 -1.68 -0.04 -1.26 -1.31 135.00 131.31 2a7o n PRO 40 Ca 0.01 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.85 2a7o n PRO 40 Cb 0.47 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.61 2a7o n PRO 40 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2a7o n ASP 41 N -1.46 3.22 -4.67 3.54 5.68 -1.26 -4.99 116.55 116.60 2a7o n ASP 41 Ca 0.03 -1.93 -0.45 0.00 -0.50 0.00 0.00 54.79 51.94 2a7o n ASP 41 Cb 0.13 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 39.86 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2a7o h LYS 43 N 4.87 0.34 -3.35 0.00 1.79 -1.90 -3.44 116.57 114.88 2a7o h LYS 43 Ca -0.45 -0.33 -0.26 0.00 -2.18 0.00 0.00 60.65 57.43 2a7o h LYS 43 Cb 1.26 0.09 -0.32 0.00 -1.58 0.00 0.00 32.23 31.68 2a7o h LYS 43 CO 0.81 1.00 -0.64 0.54 -1.08 0.00 0.00 179.45 180.08 2a7o s VAL 44 N -3.33 -0.05 -0.54 0.50 0.11 -1.26 -4.69 120.40 111.14 2a7o s VAL 44 Ca -0.14 0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 59.08 2a7o s VAL 44 Cb 0.03 -0.18 -0.01 0.00 -1.53 0.00 0.00 36.38 34.69 2a7o s VAL 44 CO 0.79 0.07 0.46 0.61 -3.33 0.00 0.00 175.10 173.70 2a7o n GLY 45 N 4.12 0.04 3.66 6.54 0.00 0.57 -4.88 105.19 115.24 2a7o n GLY 45 Ca -0.26 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.39 4.22 -0.23 1.61 3.52 0.27 -4.45 118.95 119.50 2a7o s ARG 46 Ca 0.05 1.84 -0.29 0.00 -0.13 0.00 0.00 55.73 57.20 2a7o s ARG 46 Cb -0.01 -3.84 0.01 0.00 -1.56 0.00 0.00 34.95 29.55 2a7o s ARG 46 CO 0.34 -0.75 1.10 0.42 -0.81 0.00 0.00 175.30 175.60 2a7o s ILE 47 N 3.66 4.55 0.02 4.11 1.01 0.11 0.27 121.20 134.93 2a7o s ILE 47 Ca 0.61 1.86 -0.26 0.00 0.00 0.00 0.00 60.65 62.86 2a7o s ILE 47 Cb -0.26 -4.25 -0.17 0.00 0.01 0.00 0.00 42.46 37.80 2a7o s ILE 47 CO 0.20 -0.22 1.28 0.71 0.00 0.00 0.00 174.94 176.91 2a7o h THR 48 N 5.52 0.67 -3.22 2.92 1.35 -1.88 -3.40 112.91 114.86 2a7o h THR 48 Ca -0.21 -0.53 -0.45 0.00 -0.55 0.00 0.00 66.41 64.67 2a7o h THR 48 Cb 1.07 0.94 -0.16 0.00 -1.73 0.00 0.00 68.15 68.27 2a7o h THR 48 CO 0.99 0.10 -0.75 -0.89 -0.25 0.00 0.00 175.52 174.72 2a7o s THR 49 N -4.82 1.60 0.26 6.82 2.01 -1.26 -5.02 115.64 115.23 2a7o s THR 49 Ca -0.14 -1.99 -0.04 0.00 0.31 0.00 0.00 61.69 59.83 2a7o s THR 49 Cb 0.02 -1.84 0.26 0.00 0.01 0.00 0.00 72.50 70.96 2a7o s THR 49 CO 0.55 -0.49 1.89 0.00 -0.69 0.00 0.00 174.62 175.89 2a7o h THR 50 N 3.02 1.14 -0.99 -0.82 1.03 -1.98 0.20 112.91 114.51 2a7o h THR 50 Ca -0.39 -0.42 0.01 0.00 -0.01 0.00 0.00 66.41 65.60 2a7o h THR 50 Cb 1.21 -0.20 -0.05 0.00 -1.07 0.00 0.00 68.15 68.04 2a7o h THR 50 CO 0.56 0.22 0.66 -0.33 -0.01 0.00 0.00 175.52 176.62 2a7o h GLU 51 N 1.23 1.30 -0.30 0.00 5.08 -1.98 0.24 114.58 120.15 2a7o h GLU 51 Ca 0.41 -0.08 -0.14 0.00 -1.00 0.00 0.00 59.36 58.55 2a7o h GLU 51 Cb 0.07 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 2a7o h GLU 51 CO -0.14 0.86 -0.37 -0.44 -1.00 0.00 0.00 179.01 177.92 2a7o h ASP 52 N 1.34 0.84 -0.02 1.42 3.32 -1.68 -0.37 116.42 121.27 2a7o h ASP 52 Ca 0.36 -0.49 0.02 0.00 0.02 0.00 0.00 57.03 56.94 2a7o h ASP 52 Cb -0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.14 2a7o h ASP 52 CO -0.08 1.16 -0.09 0.15 -1.72 0.00 0.00 179.24 178.66 2a7o h PHE 53 N 0.53 -0.22 -0.78 4.55 3.57 0.04 -0.20 116.94 124.43 2a7o h PHE 53 Ca 0.04 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2a7o h PHE 53 Cb 0.96 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 2a7o h PHE 53 CO 0.07 -0.14 0.42 0.87 -2.23 0.00 0.00 178.31 177.30 2a7o h LYS 54 N -0.15 1.10 -0.06 1.11 1.57 -0.42 0.15 116.57 119.87 2a7o h LYS 54 Ca 0.04 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2a7o h LYS 54 Cb 0.20 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2a7o h LYS 54 CO -0.11 0.82 0.02 1.25 -0.57 0.00 0.00 179.45 180.86 2a7o h HIS 55 N 1.09 0.09 -0.36 -1.35 2.76 -0.71 -0.68 115.15 116.00 2a7o h HIS 55 Ca 0.27 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.27 2a7o h HIS 55 Cb 0.05 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 2a7o h HIS 55 CO 0.00 0.24 -0.42 1.25 -1.30 0.00 0.00 177.93 177.71 2a7o h LEU 56 N -0.08 0.99 -1.13 0.26 5.85 -0.88 -0.72 115.31 119.60 2a7o h LEU 56 Ca 0.02 -0.48 0.11 0.00 0.84 0.00 0.00 57.88 58.37 2a7o h LEU 56 Cb 0.19 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 2a7o h LEU 56 CO -0.00 1.27 0.60 0.00 -0.34 0.00 0.00 178.44 179.97 2a7o h ALA 57 N 0.75 1.61 -0.37 1.25 0.00 -0.50 0.10 119.26 122.10 2a7o h ALA 57 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2a7o h ALA 57 Cb 1.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2a7o h ALA 57 CO 0.10 0.18 0.06 0.00 0.00 0.00 0.00 179.25 179.59 2a7o h ARG 58 N 0.92 0.61 -0.13 0.00 2.47 -0.68 -1.50 114.38 116.06 2a7o h ARG 58 Ca 0.45 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2a7o h ARG 58 Cb 0.48 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 2a7o h ARG 58 CO -0.22 0.67 0.06 0.87 0.56 0.00 0.00 179.97 181.92 2a7o h LYS 59 N 0.45 0.18 -0.30 0.04 1.57 0.47 -0.91 116.57 118.07 2a7o h LYS 59 Ca 0.11 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2a7o h LYS 59 Cb 0.36 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2a7o h LYS 59 CO 0.01 0.23 0.02 -0.07 -0.57 0.00 0.00 179.45 179.07 2a7o h LEU 60 N 0.09 0.50 -0.71 2.94 3.38 -0.85 0.20 115.31 120.87 2a7o h LEU 60 Ca 0.04 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.79 2a7o h LEU 60 Cb 0.11 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 2a7o h LEU 60 CO -0.01 0.67 0.39 0.74 0.09 0.00 0.00 178.44 180.33 2a7o h THR 61 N 0.32 0.96 0.00 0.22 2.02 -1.16 -0.72 112.91 114.55 2a7o h THR 61 Ca 0.09 -0.24 -0.16 0.00 0.77 0.00 0.00 66.41 66.87 2a7o h THR 61 Cb 0.40 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2a7o h THR 61 CO 0.01 0.13 -0.75 -0.74 0.37 0.00 0.00 175.52 174.55 2a7o h HIS 62 N 0.71 0.00 -0.17 3.16 -0.00 -0.72 -2.45 115.15 115.68 2a7o h HIS 62 Ca 0.32 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.48 2a7o h HIS 62 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.64 2a7o h HIS 62 CO -0.08 0.75 -0.73 0.78 -0.00 0.00 0.00 177.93 178.65 2a7o h GLY 63 N 2.91 0.84 1.21 5.26 0.00 0.11 -0.97 103.07 112.43 2a7o h GLY 63 Ca -0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 47.33 46.12 2a7o h GLY 63 CO 0.10 1.02 0.16 -2.08 0.00 0.00 0.00 176.54 175.74 2a7o h VAL 64 N 0.53 1.25 -0.19 4.60 2.07 -1.13 -0.61 116.25 122.76 2a7o h VAL 64 Ca -0.04 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.60 2a7o h VAL 64 Cb 1.35 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2a7o h VAL 64 CO 0.15 0.34 0.10 -0.03 0.02 0.00 0.00 177.57 178.15 2a7o h MET 65 N 0.94 0.21 -0.43 1.57 -1.53 -1.32 -0.30 114.93 114.08 2a7o h MET 65 Ca 0.20 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.44 2a7o h MET 65 Cb 0.32 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 2a7o h MET 65 CO -0.00 0.14 0.22 -0.91 0.14 0.00 0.00 176.91 176.49 2a7o h ASN 66 N 0.21 0.55 -0.52 1.39 2.35 -0.65 0.18 115.58 119.09 2a7o h ASN 66 Ca 0.07 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2a7o h ASN 66 Cb 0.00 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 2a7o h ASN 66 CO -0.04 0.50 0.34 0.11 -1.65 0.00 0.00 177.43 176.69 2a7o h LYS 67 N 0.55 0.69 0.13 0.81 1.57 -0.51 0.11 116.57 119.93 2a7o h LYS 67 Ca 0.15 -0.05 -0.28 0.00 -1.87 0.00 0.00 60.65 58.61 2a7o h LYS 67 Cb 0.09 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2a7o h LYS 67 CO -0.02 0.47 -1.26 1.05 -0.57 0.00 0.00 179.45 179.12 2a7o h GLU 68 N 0.71 0.28 0.00 3.15 4.11 -0.98 -1.68 114.58 120.16 2a7o h GLU 68 Ca 0.19 -0.47 -0.01 0.00 0.07 0.00 0.00 59.36 59.14 2a7o h GLU 68 Cb -0.07 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2a7o h GLU 68 CO -0.04 1.22 -0.03 -0.07 0.07 0.00 0.00 179.01 180.16 2a7o h LEU 69 N 0.08 0.00 0.06 3.06 3.38 -0.33 1.01 115.31 122.57 2a7o h LEU 69 Ca -0.14 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.56 2a7o h LEU 69 Cb 1.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 2a7o h LEU 69 CO 0.20 0.03 -1.36 0.07 0.09 0.00 0.00 178.44 177.47 2a7o h LYS 70 N 0.00 0.13 0.00 1.13 2.10 -0.59 -3.32 116.57 116.02 2a7o h LYS 70 Ca -0.00 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2a7o h LYS 70 Cb 0.09 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2a7o h LYS 70 CO 0.00 0.98 -0.95 0.66 -2.00 0.00 0.00 179.45 178.15 2a7o n TYR 71 N -3.36 0.64 -3.87 0.07 4.02 -0.65 -4.50 117.16 109.52 2a7o n TYR 71 Ca -0.10 0.19 -0.30 0.00 -0.01 0.00 0.00 57.90 57.67 2a7o n TYR 71 Cb 1.01 -0.73 -0.14 0.00 -0.02 0.00 0.00 39.34 39.46 2a7o n TYR 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2a7o n LYS 73 N 3.75 0.28 -3.94 0.00 4.76 -1.25 -4.12 118.16 117.64 2a7o n LYS 73 Ca 0.05 0.07 -0.33 0.00 -2.87 0.00 0.00 58.31 55.23 2a7o n LYS 73 Cb 0.36 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.92 2a7o n LYS 73 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2a7o s ASN 74 N -2.63 4.85 0.00 4.39 -0.87 -1.26 -4.97 114.94 114.45 2a7o s ASN 74 Ca 0.21 -1.76 0.06 0.00 -1.57 0.00 0.00 52.86 49.79 2a7o s ASN 74 Cb 0.16 -1.68 0.36 0.00 -0.02 0.00 0.00 41.25 40.06 2a7o s ASN 74 CO 0.36 -0.35 0.89 -0.81 -2.57 0.00 0.00 177.10 174.62 2a7o n PRO 75 N 4.46 0.59 0.00 -0.60 -0.04 -1.26 -2.05 135.00 136.10 2a7o n PRO 75 Ca -0.05 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.49 2a7o n PRO 75 Cb 0.42 -1.16 0.41 0.00 -0.04 0.00 0.00 33.50 33.14 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 -0.66 0.18 -0.00 0.54 4.07 -1.26 -1.59 120.64 121.92 2a7o n GLU 76 Ca 0.04 0.15 0.01 0.00 -0.06 0.00 0.00 57.16 57.31 2a7o n GLU 76 Cb 0.02 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 29.92 2a7o n GLU 76 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2a7o n ASP 77 N -1.34 1.33 -4.48 4.31 2.03 -0.87 -4.91 116.55 112.62 2a7o n ASP 77 Ca 0.07 -1.20 -0.43 0.00 0.52 0.00 0.00 54.79 53.76 2a7o n ASP 77 Cb 0.15 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.31 4.12 -0.01 -2.67 2.96 -0.62 -4.93 118.68 117.22 2a7o s LEU 78 Ca 0.04 -1.01 -0.07 0.00 -0.22 0.00 0.00 54.13 52.87 2a7o s LEU 78 Cb 0.02 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.26 2a7o s LEU 78 CO 0.04 -1.50 0.14 -0.70 -1.32 0.00 0.00 176.35 173.01 2a7o s GLU 79 N 4.36 0.41 -1.39 1.98 2.56 -1.26 -4.75 118.70 120.61 2a7o s GLU 79 Ca 0.28 -0.25 -0.12 0.00 0.00 0.00 0.00 54.97 54.87 2a7o s GLU 79 Cb -0.12 0.17 0.09 0.00 2.00 0.00 0.00 34.13 36.27 2a7o s GLU 79 CO 0.08 -0.09 2.12 0.00 -0.56 0.00 0.00 175.26 176.80 2a7o n ASN 81 N 5.12 0.19 0.13 0.00 0.23 -1.26 -4.78 115.26 114.89 2a7o n ASN 81 Ca 0.48 -1.15 -0.13 0.00 -0.53 0.00 0.00 54.58 53.25 2a7o n ASN 81 Cb 0.37 -0.06 -0.06 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.54 -0.49 -3.83 5.08 -1.98 0.41 114.58 113.23 2a7o h GLU 82 Ca -0.03 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2a7o h GLU 82 Cb 0.13 0.12 -0.09 0.00 0.50 0.00 0.00 28.75 29.42 2a7o h GLU 82 CO 0.04 -0.36 -0.07 -0.97 -1.00 0.00 0.00 179.01 176.65 2a7o h ASN 83 N -0.56 -0.35 -0.10 1.42 -0.73 -1.95 0.28 115.58 113.59 2a7o h ASN 83 Ca 0.02 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.31 2a7o h ASN 83 Cb 0.57 0.26 -0.00 0.00 0.27 0.00 0.00 38.32 39.42 2a7o h ASN 83 CO -0.16 -0.13 0.02 0.58 -0.37 0.00 0.00 177.43 177.37 2a7o h VAL 84 N 0.05 1.21 -0.09 2.57 2.07 -1.66 -1.29 116.25 119.10 2a7o h VAL 84 Ca 0.24 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.14 2a7o h VAL 84 Cb 0.37 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2a7o h VAL 84 CO -0.46 0.19 -0.14 0.11 0.02 0.00 0.00 177.57 177.29 2a7o h LYS 85 N -0.07 -0.18 -0.22 1.57 1.57 0.38 0.90 116.57 120.54 2a7o h LYS 85 Ca 0.03 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2a7o h LYS 85 Cb 0.28 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 2a7o h LYS 85 CO 0.00 -0.12 -0.22 1.25 -0.57 0.00 0.00 179.45 179.80 2a7o h HIS 86 N -0.18 -0.57 -0.73 -1.35 2.76 -0.37 0.14 115.15 114.85 2a7o h HIS 86 Ca 0.08 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2a7o h HIS 86 Cb 0.30 0.29 -0.04 0.00 1.55 0.00 0.00 27.41 29.51 2a7o h HIS 86 CO -0.24 -0.30 0.40 -0.22 -1.30 0.00 0.00 177.93 176.27 2a7o h LYS 87 N -0.23 1.01 0.35 5.26 3.64 -0.83 -1.69 116.57 124.08 2a7o h LYS 87 Ca 0.13 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2a7o h LYS 87 Cb 0.43 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2a7o h LYS 87 CO -0.35 0.75 -0.17 1.15 -2.27 0.00 0.00 179.45 178.55 2a7o h THR 88 N 1.02 0.00 -0.35 1.00 2.02 0.81 0.89 112.91 118.30 2a7o h THR 88 Ca 0.26 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2a7o h THR 88 Cb 0.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 2a7o h THR 88 CO -0.04 0.00 0.23 0.07 0.37 0.00 0.00 175.52 176.15 2a7o h LYS 89 N -1.10 0.47 -0.54 6.66 5.09 -0.79 0.46 116.57 126.82 2a7o h LYS 89 Ca -0.05 -0.03 -0.09 0.00 0.09 0.00 0.00 60.65 60.57 2a7o h LYS 89 Cb 0.36 -0.10 -0.02 0.00 0.10 0.00 0.00 32.23 32.56 2a7o h LYS 89 CO 0.08 0.31 -0.04 0.93 -2.09 0.00 0.00 179.45 178.65 2a7o h GLU 90 N 0.48 0.96 -0.08 0.07 5.08 -1.30 -1.49 114.58 118.31 2a7o h GLU 90 Ca 0.13 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2a7o h GLU 90 Cb -0.05 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2a7o h GLU 90 CO -0.03 0.97 -0.01 -0.92 -1.00 0.00 0.00 179.01 178.02 2a7o h TYR 91 N 0.87 0.16 -0.12 4.33 3.20 0.13 -1.62 116.97 123.93 2a7o h TYR 91 Ca 0.15 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.04 2a7o h TYR 91 Cb 0.56 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 2a7o h TYR 91 CO 0.04 0.44 -0.27 0.82 -1.64 0.00 0.00 178.16 177.54 2a7o h ILE 92 N -0.16 0.37 -0.03 1.81 1.08 -0.11 0.61 117.51 121.08 2a7o h ILE 92 Ca 0.02 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.52 2a7o h ILE 92 Cb 0.38 0.37 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 2a7o h ILE 92 CO 0.01 0.00 -0.17 0.11 -0.69 0.00 0.00 178.15 177.41 2a7o h LYS 93 N -0.35 -0.25 -0.25 2.37 1.57 -1.19 0.13 116.57 118.60 2a7o h LYS 93 Ca 0.10 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2a7o h LYS 93 Cb 0.49 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 2a7o h LYS 93 CO -0.32 -0.17 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.09 2a7o h LYS 94 N -0.26 0.41 0.51 3.15 3.64 -0.70 -1.11 116.57 122.21 2a7o h LYS 94 Ca 0.06 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2a7o h LYS 94 Cb 0.34 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2a7o h LYS 94 CO -0.18 0.51 -0.24 -0.92 -2.27 0.00 0.00 179.45 176.35 2a7o h TYR 95 N 0.39 -0.63 0.00 1.91 5.03 0.76 -3.06 116.97 121.37 2a7o h TYR 95 Ca 0.08 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.37 2a7o h TYR 95 Cb 0.40 0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.89 2a7o h TYR 95 CO 0.01 -0.31 0.00 0.52 -1.32 0.00 0.00 178.16 177.06 2a7o h MET 96 N -0.89 0.00 0.00 1.82 0.00 0.36 -0.17 114.93 116.04 2a7o h MET 96 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 59.70 59.63 2a7o h MET 96 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.20 2a7o h MET 96 CO 0.11 0.00 -0.00 1.96 0.00 0.00 0.00 176.91 178.98 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.14 -1.58 115.11 115.19 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 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 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 0.07 1.46 2.10 -1.12 -3.06 116.57 116.01 2a7o h LYS 98 Ca -0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.35 2a7o h LYS 98 Cb 0.18 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.49 2a7o h LYS 98 CO 0.00 0.00 -1.57 0.74 -2.00 0.00 0.00 179.45 176.62 2a7o h PHE 99 N 0.00 0.27 0.00 0.07 0.04 -1.46 -3.49 116.94 112.38 2a7o h PHE 99 Ca 0.00 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.57 2a7o h PHE 99 Cb 0.66 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.80 2a7o h PHE 99 CO 0.00 1.28 0.00 0.41 -0.60 0.00 0.00 178.31 179.40 2a7o n GLY 100 N 1.63 1.05 0.13 -1.45 0.00 -1.16 -4.21 105.19 101.17 2a7o n GLY 100 Ca -0.16 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 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 0.06 -3.30 4.61 0.00 -1.91 0.16 119.26 118.88 2a7o h ALA 101 Ca 0.00 -0.97 -0.60 0.00 0.00 0.00 0.00 54.91 53.34 2a7o h ALA 101 Cb 0.00 0.34 -0.19 0.00 0.00 0.00 0.00 17.79 17.94 2a7o h ALA 101 CO 0.00 0.74 -0.82 0.08 0.00 0.00 0.00 179.25 179.25 2a7o s VAL 102 N -2.50 2.05 -0.63 0.00 1.01 -1.26 -0.57 120.40 118.50 2a7o s VAL 102 Ca -0.16 -1.86 -0.27 0.00 0.00 0.00 0.00 61.98 59.68 2a7o s VAL 102 Cb 0.04 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.54 2a7o s VAL 102 CO 0.82 -0.14 1.20 -0.47 0.00 0.00 0.00 175.10 176.51 2a7o s TYR 103 N -1.60 2.52 -0.57 5.22 5.04 0.14 -4.55 117.35 123.55 2a7o s TYR 103 Ca 0.15 0.21 -0.00 0.00 -2.44 0.00 0.00 57.07 54.99 2a7o s TYR 103 Cb -0.08 -4.51 0.15 0.00 0.35 0.00 0.00 41.96 37.86 2a7o s TYR 103 CO 0.07 -1.72 0.36 0.15 -1.34 0.00 0.00 175.55 173.07 2a7o s LYS 104 N 5.10 2.32 0.52 4.97 1.02 -1.26 -4.63 119.74 127.78 2a7o s LYS 104 Ca 0.39 -2.52 0.27 0.00 0.02 0.00 0.00 55.97 54.13 2a7o s LYS 104 Cb -0.08 -3.57 1.46 0.00 -0.52 0.00 0.00 37.83 35.11 2a7o s LYS 104 CO 0.21 -1.14 2.08 -1.00 -0.92 0.00 0.00 175.35 174.58 2a7o h PRO 105 N 6.90 0.00 0.00 -1.68 0.13 -1.98 0.05 132.00 135.43 2a7o h PRO 105 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2a7o h PRO 105 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2a7o h PRO 105 CO 0.70 0.11 0.03 1.57 -0.23 0.00 0.00 178.00 180.18 2a7o h LYS 106 N 0.00 0.00 0.00 0.86 2.10 -2.02 -1.21 116.57 116.29 2a7o h LYS 106 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2a7o h LYS 106 Cb 0.32 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.63 2a7o h LYS 106 CO 0.01 0.00 -0.24 0.39 -2.00 0.00 0.00 179.45 177.61 2a7o n GLU 107 N -2.78 1.29 -1.70 0.07 1.02 -0.01 -5.06 120.64 113.46 2a7o n GLU 107 Ca -0.02 -2.75 -0.29 0.00 -0.02 0.00 0.00 57.16 54.08 2a7o n GLU 107 Cb 0.08 -1.44 0.11 0.00 -0.02 0.00 0.00 31.44 30.17 2a7o n GLU 107 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2a7o s ASP 108 N -2.89 4.01 0.00 1.62 2.15 -0.46 -4.90 116.67 116.20 2a7o s ASP 108 Ca 0.33 0.90 0.05 0.00 0.43 0.00 0.00 52.55 54.26 2a7o s ASP 108 Cb 0.30 -1.45 0.28 0.00 -0.30 0.00 0.00 42.92 41.75 2a7o s ASP 108 CO -0.01 -2.23 0.75 1.07 -0.17 0.00 0.00 175.17 174.58