#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 0.00 -0.04 3.42 7.64 -1.26 -0.22 113.62 123.15 2a7o n SER 11 Ca 0.00 -0.79 -0.20 0.00 1.01 0.00 0.00 58.87 58.89 2a7o n SER 11 Cb 0.00 -0.06 -0.13 0.00 -1.01 0.00 0.00 64.21 63.01 2a7o n SER 11 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2a7o h SER 12 N 0.00 0.18 0.40 6.43 0.87 -1.99 -3.29 113.55 116.14 2a7o h SER 12 Ca 0.00 -0.77 -0.31 0.00 -1.23 0.00 0.00 61.79 59.47 2a7o h SER 12 Cb 0.06 -0.06 0.03 0.00 -0.44 0.00 0.00 62.40 61.99 2a7o h SER 12 CO 0.00 1.46 -1.39 1.05 -0.53 0.00 0.00 176.83 177.42 2a7o h GLU 13 N -0.66 0.45 -0.71 2.24 4.11 -1.91 -2.46 114.58 115.63 2a7o h GLU 13 Ca -0.26 -0.76 0.01 0.00 0.07 0.00 0.00 59.36 58.42 2a7o h GLU 13 Cb 1.47 0.28 -0.04 0.00 0.50 0.00 0.00 28.75 30.96 2a7o h GLU 13 CO -0.04 1.36 0.47 1.25 0.07 0.00 0.00 179.01 182.13 2a7o h LEU 14 N 0.12 0.81 -0.37 3.06 6.46 -0.82 -1.76 115.31 122.81 2a7o h LEU 14 Ca -0.21 -0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.38 2a7o h LEU 14 Cb 2.10 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.80 2a7o h LEU 14 CO 0.25 0.59 -0.71 0.00 -0.62 0.00 0.00 178.44 177.95 2a7o h ALA 15 N 1.56 0.69 -0.88 1.25 0.00 -1.62 0.03 119.26 120.28 2a7o h ALA 15 Ca 0.26 -0.64 0.08 0.00 0.00 0.00 0.00 54.91 54.61 2a7o h ALA 15 Cb -0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 2a7o h ALA 15 CO -0.06 0.88 0.57 0.87 0.00 0.00 0.00 179.25 181.52 2a7o h LYS 16 N 0.00 0.91 0.20 0.00 1.79 -0.82 0.24 116.57 118.88 2a7o h LYS 16 Ca -0.01 -0.05 -0.32 0.00 -2.18 0.00 0.00 60.65 58.09 2a7o h LYS 16 Cb 1.37 -0.20 0.03 0.00 -1.58 0.00 0.00 32.23 31.85 2a7o h LYS 16 CO 0.09 0.60 -1.38 0.87 -1.08 0.00 0.00 179.45 178.56 2a7o h LYS 17 N 0.94 0.57 -0.12 3.15 6.56 -1.46 -3.33 116.57 122.87 2a7o h LYS 17 Ca 0.40 -0.87 -0.04 0.00 -1.06 0.00 0.00 60.65 59.08 2a7o h LYS 17 Cb 0.31 0.31 -0.01 0.00 -0.57 0.00 0.00 32.23 32.27 2a7o h LYS 17 CO -0.16 1.41 -0.09 1.03 -2.06 0.00 0.00 179.45 179.58 2a7o h SER 18 N 0.20 0.17 0.34 0.86 0.87 0.76 0.16 113.55 116.92 2a7o h SER 18 Ca -0.22 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.14 2a7o h SER 18 Cb 2.06 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.97 2a7o h SER 18 CO 0.26 0.29 -0.69 0.11 -0.53 0.00 0.00 176.83 176.27 2a7o h LYS 19 N 0.18 0.31 -0.02 2.24 1.57 -0.75 0.33 116.57 120.43 2a7o h LYS 19 Ca 0.04 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.47 2a7o h LYS 19 Cb 0.28 0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.65 2a7o h LYS 19 CO 0.01 0.88 -0.43 0.93 -0.57 0.00 0.00 179.45 180.28 2a7o h GLU 20 N 0.21 0.33 -0.68 3.15 5.08 -1.36 0.22 114.58 121.54 2a7o h GLU 20 Ca -0.02 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 2a7o h GLU 20 Cb 1.24 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 2a7o h GLU 20 CO 0.11 1.00 0.33 0.28 -1.00 0.00 0.00 179.01 179.73 2a7o h VAL 21 N -0.22 1.23 0.37 3.13 2.07 -0.72 -0.22 116.25 121.89 2a7o h VAL 21 Ca -0.05 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2a7o h VAL 21 Cb 1.13 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2a7o h VAL 21 CO 0.08 0.27 -0.18 0.15 0.02 0.00 0.00 177.57 177.91 2a7o h PHE 22 N 0.95 -0.46 -0.39 1.57 3.57 -0.25 0.67 116.94 122.60 2a7o h PHE 22 Ca 0.24 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.78 2a7o h PHE 22 Cb 0.12 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2a7o h PHE 22 CO 0.00 -0.21 0.26 0.07 -2.23 0.00 0.00 178.31 176.21 2a7o h ARG 23 N -0.64 0.27 0.02 1.11 -0.00 -0.36 0.17 114.38 114.94 2a7o h ARG 23 Ca -0.05 -0.02 -0.22 0.00 -0.00 0.00 0.00 59.98 59.70 2a7o h ARG 23 Cb 0.46 -0.06 0.02 0.00 -0.00 0.00 0.00 29.97 30.39 2a7o h ARG 23 CO 0.08 0.18 -0.86 -0.22 -0.00 0.00 0.00 179.97 179.15 2a7o h LYS 24 N 0.27 0.55 0.12 0.08 3.64 -0.58 0.44 116.57 121.09 2a7o h LYS 24 Ca 0.17 -0.62 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 2a7o h LYS 24 Cb 0.33 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2a7o h LYS 24 CO -0.04 1.23 -0.06 0.93 -2.27 0.00 0.00 179.45 179.25 2a7o h GLU 25 N 0.14 -0.15 -0.77 1.90 4.39 0.09 -0.88 114.58 119.30 2a7o h GLU 25 Ca -0.11 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2a7o h GLU 25 Cb 1.54 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 30.19 2a7o h GLU 25 CO 0.17 -0.02 0.35 1.98 -1.16 0.00 0.00 179.01 180.33 2a7o h MET 26 N -0.26 1.11 -0.71 2.33 4.05 -0.74 0.32 114.93 121.04 2a7o h MET 26 Ca -0.02 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 2a7o h MET 26 Cb 0.21 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 2a7o h MET 26 CO 0.03 0.87 0.42 0.77 0.23 0.00 0.00 176.91 179.23 2a7o h SER 27 N 1.10 0.85 -0.06 1.39 0.02 -0.59 0.37 113.55 116.63 2a7o h SER 27 Ca 0.26 -0.07 -0.25 0.00 -0.84 0.00 0.00 61.79 60.89 2a7o h SER 27 Cb 0.14 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.48 2a7o h SER 27 CO -0.03 0.67 -0.95 0.06 -1.14 0.00 0.00 176.83 175.44 2a7o h GLN 28 N 0.96 0.74 0.05 3.45 3.07 -0.39 0.30 115.11 123.29 2a7o h GLN 28 Ca 0.25 -0.72 0.00 0.00 0.09 0.00 0.00 58.65 58.27 2a7o h GLN 28 Cb -0.02 0.19 -0.00 0.00 0.08 0.00 0.00 27.48 27.72 2a7o h GLN 28 CO -0.05 1.31 -0.04 0.35 0.09 0.00 0.00 178.83 180.48 2a7o h PHE 29 N 0.46 -0.11 -0.69 0.06 3.57 -0.24 -0.09 116.94 119.89 2a7o h PHE 29 Ca -0.10 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.36 2a7o h PHE 29 Cb 1.59 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 2a7o h PHE 29 CO 0.10 -0.07 0.29 0.82 -2.23 0.00 0.00 178.31 177.22 2a7o h ILE 30 N -0.10 1.24 -0.49 1.41 2.04 -0.12 0.37 117.51 121.85 2a7o h ILE 30 Ca 0.00 -0.72 0.10 0.00 1.00 0.00 0.00 64.86 65.24 2a7o h ILE 30 Cb 0.10 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 36.52 2a7o h ILE 30 CO -0.01 0.29 -0.10 0.58 0.00 0.00 0.00 178.15 178.91 2a7o h VAL 31 N 0.97 0.52 -0.67 1.67 2.07 -0.11 0.38 116.25 121.07 2a7o h VAL 31 Ca 0.23 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 2a7o h VAL 31 Cb 0.18 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2a7o h VAL 31 CO -0.02 0.00 0.25 -0.61 0.02 0.00 0.00 177.57 177.21 2a7o h GLN 32 N 0.02 0.99 -0.53 1.57 5.75 -0.18 0.15 115.11 122.88 2a7o h GLN 32 Ca 0.24 -0.17 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 2a7o h GLN 32 Cb 0.37 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 2a7o h GLN 32 CO -0.50 0.82 0.00 0.00 -2.65 0.00 0.00 178.83 176.50 2a7o h LEU 34 N 0.82 0.00 -0.87 0.00 3.38 0.50 -3.36 115.31 115.78 2a7o h LEU 34 Ca 0.16 -0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.29 2a7o h LEU 34 Cb 0.49 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.07 2a7o h LEU 34 CO 0.02 0.00 -0.24 0.78 0.09 0.00 0.00 178.44 179.09 2a7o h ASN 35 N 0.00 -0.90 0.64 -0.43 -0.26 -0.49 0.82 115.58 114.96 2a7o h ASN 35 Ca 0.00 0.27 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 2a7o h ASN 35 Cb 0.97 0.57 0.00 0.00 -1.06 0.00 0.00 38.32 38.80 2a7o h ASN 35 CO 0.00 -0.29 0.00 1.55 -1.06 0.00 0.00 177.43 177.63 2a7o h PRO 36 N -0.01 0.00 0.00 0.81 0.13 -1.75 -2.72 132.00 128.46 2a7o h PRO 36 Ca 0.40 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.39 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 -0.90 0.00 -1.07 1.88 -0.23 0.00 0.00 178.00 177.68 2a7o h TYR 37 N 0.00 0.00 -0.00 1.56 -1.99 -1.10 -3.24 116.97 112.20 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 0.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.05 2a7o h TYR 37 CO 0.00 0.55 -0.13 2.89 -0.00 0.00 0.00 178.16 181.47 2a7o n ARG 38 N -3.02 0.75 -2.31 4.88 1.85 -0.74 0.10 116.66 118.17 2a7o n ARG 38 Ca -0.05 -0.30 -0.41 0.00 -1.00 0.00 0.00 57.85 56.09 2a7o n ARG 38 Cb 0.80 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.68 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 -2.46 4.50 0.23 2.89 -0.14 -1.22 -4.72 119.74 118.82 2a7o s LYS 39 Ca 0.29 1.98 0.18 0.00 -1.36 0.00 0.00 55.97 57.05 2a7o s LYS 39 Cb 0.20 -3.16 0.89 0.00 -1.68 0.00 0.00 37.83 34.08 2a7o s LYS 39 CO 0.48 -0.02 1.55 -0.35 -0.76 0.00 0.00 175.35 176.25 2a7o n PRO 40 N 1.44 0.12 0.00 -1.68 -0.04 -1.26 -1.30 135.00 132.28 2a7o n PRO 40 Ca 0.01 0.53 0.14 0.00 -0.04 0.00 0.00 63.50 64.13 2a7o n PRO 40 Cb 0.44 -1.83 0.47 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.07 1.30 -4.74 3.54 5.68 -1.26 -4.94 116.55 114.06 2a7o n ASP 41 Ca 0.00 -1.25 -0.42 0.00 -0.50 0.00 0.00 54.79 52.62 2a7o n ASP 41 Cb 0.09 0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.10 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 5.32 0.27 -3.87 0.00 1.57 -1.90 -3.43 116.57 114.52 2a7o h LYS 43 Ca -0.46 -0.45 -0.43 0.00 -1.87 0.00 0.00 60.65 57.43 2a7o h LYS 43 Cb 1.22 0.17 -0.36 0.00 0.08 0.00 0.00 32.23 33.33 2a7o h LYS 43 CO 0.84 1.22 -0.77 0.08 -0.57 0.00 0.00 179.45 180.24 2a7o s VAL 44 N -2.55 0.50 -0.49 0.50 1.01 -1.26 -4.33 120.40 113.77 2a7o s VAL 44 Ca -0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 2a7o s VAL 44 Cb 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2a7o s VAL 44 CO 0.77 0.26 0.41 0.61 0.00 0.00 0.00 175.10 177.15 2a7o n GLY 45 N 4.71 0.15 3.65 4.51 0.00 0.87 -4.85 105.19 114.22 2a7o n GLY 45 Ca -0.14 -0.25 -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 -4.68 4.13 -0.23 1.61 3.52 0.45 -4.46 118.95 119.29 2a7o s ARG 46 Ca 0.03 1.45 -0.29 0.00 -0.13 0.00 0.00 55.73 56.79 2a7o s ARG 46 Cb -0.01 -3.77 0.00 0.00 -1.56 0.00 0.00 34.95 29.61 2a7o s ARG 46 CO 0.30 -0.83 1.15 0.42 -0.81 0.00 0.00 175.30 175.53 2a7o s ILE 47 N 3.71 4.46 0.06 4.11 1.01 0.11 -0.15 121.20 134.51 2a7o s ILE 47 Ca 0.53 1.74 -0.32 0.00 0.00 0.00 0.00 60.65 62.60 2a7o s ILE 47 Cb -0.18 -4.21 -0.18 0.00 0.01 0.00 0.00 42.46 37.89 2a7o s ILE 47 CO 0.16 -0.25 1.52 0.71 0.00 0.00 0.00 174.94 177.07 2a7o h THR 48 N 5.57 0.32 -3.40 2.92 1.35 -1.88 -3.42 112.91 114.38 2a7o h THR 48 Ca -0.22 -0.11 -0.35 0.00 -0.55 0.00 0.00 66.41 65.18 2a7o h THR 48 Cb 1.08 0.35 -0.15 0.00 -1.73 0.00 0.00 68.15 67.70 2a7o h THR 48 CO 0.99 0.01 -0.72 -0.89 -0.25 0.00 0.00 175.52 174.66 2a7o s THR 49 N -5.73 1.23 0.29 6.82 2.01 -1.26 -5.02 115.64 113.98 2a7o s THR 49 Ca -0.17 -1.98 -0.01 0.00 0.31 0.00 0.00 61.69 59.84 2a7o s THR 49 Cb 0.03 -1.77 0.27 0.00 0.01 0.00 0.00 72.50 71.04 2a7o s THR 49 CO 0.59 -0.66 1.93 0.00 -0.69 0.00 0.00 174.62 175.78 2a7o h THR 50 N 2.95 1.14 -0.90 -0.82 1.03 -1.98 0.11 112.91 114.44 2a7o h THR 50 Ca -0.37 -0.38 0.03 0.00 -0.01 0.00 0.00 66.41 65.67 2a7o h THR 50 Cb 1.19 -0.08 -0.05 0.00 -1.07 0.00 0.00 68.15 68.15 2a7o h THR 50 CO 0.60 0.20 0.59 -0.33 -0.01 0.00 0.00 175.52 176.58 2a7o h GLU 51 N 1.12 1.11 -0.16 0.00 5.08 -1.98 0.26 114.58 120.01 2a7o h GLU 51 Ca 0.37 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.49 2a7o h GLU 51 Cb 0.05 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.06 2a7o h GLU 51 CO -0.12 0.74 -0.58 -0.44 -1.00 0.00 0.00 179.01 177.61 2a7o h ASP 52 N 1.14 0.78 0.07 1.42 5.19 -1.70 -0.65 116.42 122.69 2a7o h ASP 52 Ca 0.35 -0.61 0.01 0.00 -0.62 0.00 0.00 57.03 56.16 2a7o h ASP 52 Cb -0.01 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.25 2a7o h ASP 52 CO -0.10 1.26 -0.14 0.15 -3.12 0.00 0.00 179.24 177.29 2a7o h PHE 53 N 0.35 -0.36 -0.65 4.55 3.04 0.00 -0.29 116.94 123.58 2a7o h PHE 53 Ca -0.03 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 2a7o h PHE 53 Cb 1.21 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.84 2a7o h PHE 53 CO 0.10 -0.21 0.34 0.87 -2.02 0.00 0.00 178.31 177.38 2a7o h LYS 54 N -0.27 0.92 -0.17 1.11 1.57 -0.46 0.16 116.57 119.43 2a7o h LYS 54 Ca 0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2a7o h LYS 54 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2a7o h LYS 54 CO -0.08 0.71 0.08 1.25 -0.57 0.00 0.00 179.45 180.84 2a7o h HIS 55 N 0.89 0.26 -0.31 -1.35 2.76 -0.82 -1.00 115.15 115.58 2a7o h HIS 55 Ca 0.23 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.22 2a7o h HIS 55 Cb 0.08 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 2a7o h HIS 55 CO -0.00 0.30 -0.46 1.25 -1.30 0.00 0.00 177.93 177.72 2a7o h LEU 56 N 0.14 0.87 -0.95 0.26 5.85 -0.86 0.16 115.31 120.79 2a7o h LEU 56 Ca 0.06 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.44 2a7o h LEU 56 Cb 0.15 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 2a7o h LEU 56 CO -0.01 1.20 0.59 0.00 -0.34 0.00 0.00 178.44 179.88 2a7o h ALA 57 N 0.83 1.36 -0.41 1.25 0.00 -0.44 0.25 119.26 122.11 2a7o h ALA 57 Ca 0.04 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2a7o h ALA 57 Cb 1.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2a7o h ALA 57 CO 0.10 0.28 -0.01 0.00 0.00 0.00 0.00 179.25 179.62 2a7o h ARG 58 N 1.01 0.72 -0.33 0.00 2.47 -0.80 -1.53 114.38 115.92 2a7o h ARG 58 Ca 0.44 -0.23 -0.16 0.00 -1.26 0.00 0.00 59.98 58.76 2a7o h ARG 58 Cb 0.32 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2a7o h ARG 58 CO -0.22 0.81 -0.43 -0.22 0.56 0.00 0.00 179.97 180.47 2a7o h LYS 59 N 0.55 0.87 -0.37 0.04 3.64 0.46 -0.36 116.57 121.41 2a7o h LYS 59 Ca 0.11 -0.50 -0.14 0.00 -1.27 0.00 0.00 60.65 58.85 2a7o h LYS 59 Cb 0.49 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2a7o h LYS 59 CO 0.02 1.14 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.97 2a7o h LEU 60 N 0.66 0.92 -0.84 5.20 3.38 -0.57 0.48 115.31 124.55 2a7o h LEU 60 Ca 0.04 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.63 2a7o h LEU 60 Cb 1.03 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2a7o h LEU 60 CO 0.10 1.17 0.51 0.74 0.09 0.00 0.00 178.44 181.06 2a7o h THR 61 N 0.67 1.02 -0.12 0.22 2.02 -1.07 -0.95 112.91 114.69 2a7o h THR 61 Ca 0.07 -0.32 -0.17 0.00 0.77 0.00 0.00 66.41 66.76 2a7o h THR 61 Cb 0.89 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2a7o h THR 61 CO 0.08 0.17 -0.62 -0.74 0.37 0.00 0.00 175.52 174.77 2a7o h HIS 62 N 0.93 0.57 -0.21 3.16 6.17 -0.63 -2.26 115.15 122.87 2a7o h HIS 62 Ca 0.37 -0.22 -0.21 0.00 0.71 0.00 0.00 60.37 61.02 2a7o h HIS 62 Cb 0.20 -0.10 0.01 0.00 2.52 0.00 0.00 27.41 30.04 2a7o h HIS 62 CO -0.04 0.94 -0.68 0.78 0.71 0.00 0.00 177.93 179.64 2a7o h GLY 63 N 1.21 0.92 1.16 5.26 0.00 -0.27 -0.15 103.07 111.20 2a7o h GLY 63 Ca -0.01 -1.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.07 2a7o h GLY 63 CO 0.11 1.07 0.22 -2.08 0.00 0.00 0.00 176.54 175.86 2a7o h VAL 64 N 0.60 1.25 0.08 4.60 2.07 -1.17 -0.33 116.25 123.35 2a7o h VAL 64 Ca -0.02 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2a7o h VAL 64 Cb 1.30 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2a7o h VAL 64 CO 0.15 0.33 -0.04 -0.03 0.02 0.00 0.00 177.57 178.00 2a7o h MET 65 N 1.02 -0.10 -0.61 1.57 -1.53 -1.30 -0.11 114.93 113.87 2a7o h MET 65 Ca 0.23 0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.49 2a7o h MET 65 Cb 0.28 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.32 2a7o h MET 65 CO -0.01 0.02 0.35 -0.91 0.14 0.00 0.00 176.91 176.51 2a7o h ASN 66 N -0.20 0.74 -0.32 1.39 2.35 -0.73 0.22 115.58 119.03 2a7o h ASN 66 Ca -0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2a7o h ASN 66 Cb 0.17 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2a7o h ASN 66 CO 0.02 0.60 0.15 0.11 -1.65 0.00 0.00 177.43 176.65 2a7o h LYS 67 N 0.83 0.47 -0.08 0.81 6.56 -0.72 0.14 116.57 124.58 2a7o h LYS 67 Ca 0.22 -0.07 -0.22 0.00 -1.06 0.00 0.00 60.65 59.51 2a7o h LYS 67 Cb 0.01 -0.08 0.01 0.00 -0.57 0.00 0.00 32.23 31.59 2a7o h LYS 67 CO -0.04 0.45 -0.85 1.05 -2.06 0.00 0.00 179.45 178.00 2a7o h GLU 68 N 0.38 0.60 -0.56 3.15 4.11 -0.80 -0.47 114.58 120.99 2a7o h GLU 68 Ca 0.11 -0.55 0.13 0.00 0.07 0.00 0.00 59.36 59.12 2a7o h GLU 68 Cb 0.14 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2a7o h GLU 68 CO -0.01 1.16 0.39 -0.07 0.07 0.00 0.00 179.01 180.55 2a7o h LEU 69 N 0.38 0.17 0.00 3.06 -0.00 -0.38 0.97 115.31 119.52 2a7o h LEU 69 Ca -0.07 0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.74 2a7o h LEU 69 Cb 1.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 42.09 2a7o h LEU 69 CO 0.16 0.10 -0.87 0.07 -0.00 0.00 0.00 178.44 177.90 2a7o h LYS 70 N 0.19 0.00 0.00 1.13 2.10 -0.43 -1.52 116.57 118.04 2a7o h LYS 70 Ca 0.27 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.56 2a7o h LYS 70 Cb 0.80 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.06 2a7o h LYS 70 CO -0.04 0.20 -2.25 0.66 -2.00 0.00 0.00 179.45 176.01 2a7o n TYR 71 N -2.93 0.24 -0.03 0.07 4.01 -0.23 -4.48 117.16 113.81 2a7o n TYR 71 Ca -0.02 0.08 -0.20 0.00 -0.16 0.00 0.00 57.90 57.60 2a7o n TYR 71 Cb 0.68 -1.04 -0.13 0.00 -0.31 0.00 0.00 39.34 38.53 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 -4.21 0.00 -3.88 0.00 5.02 -0.57 -4.85 118.16 109.67 2a7o n LYS 73 Ca -0.21 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.73 2a7o n LYS 73 Cb 0.75 -0.15 -0.09 0.00 -0.02 0.00 0.00 35.03 35.52 2a7o n LYS 73 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2a7o s ASN 74 N 0.00 5.89 0.00 4.39 2.20 -1.26 -4.97 114.94 121.19 2a7o s ASN 74 Ca 0.00 0.15 0.21 0.00 -0.94 0.00 0.00 52.86 52.27 2a7o s ASN 74 Cb 0.00 -2.02 1.24 0.00 -2.00 0.00 0.00 41.25 38.47 2a7o s ASN 74 CO 0.00 0.18 1.63 -0.81 -2.94 0.00 0.00 177.10 175.15 2a7o n PRO 75 N 3.54 0.67 0.00 3.55 -0.04 -1.26 -2.60 135.00 138.86 2a7o n PRO 75 Ca -0.16 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.35 2a7o n PRO 75 Cb 0.52 -1.48 0.27 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.98 0.05 0.00 0.54 2.13 -1.26 -1.04 120.64 120.08 2a7o n GLU 76 Ca 0.16 0.26 0.01 0.00 0.66 0.00 0.00 57.16 58.25 2a7o n GLU 76 Cb 0.07 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.28 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 -1.44 0.54 -4.45 4.31 2.03 -1.07 -4.93 116.55 111.55 2a7o n ASP 77 Ca 0.04 -0.77 -0.43 0.00 0.52 0.00 0.00 54.79 54.14 2a7o n ASP 77 Cb 0.12 0.58 -0.04 0.00 -0.72 0.00 0.00 41.12 41.06 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 -1.27 4.54 -0.01 -2.67 2.96 -0.21 -4.93 118.68 117.09 2a7o s LEU 78 Ca 0.01 -1.15 -0.09 0.00 -0.22 0.00 0.00 54.13 52.69 2a7o s LEU 78 Cb 0.01 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.31 2a7o s LEU 78 CO 0.05 -1.37 0.18 -0.70 -1.32 0.00 0.00 176.35 173.19 2a7o s GLU 79 N 3.80 0.48 -1.33 1.98 2.56 -1.26 -4.65 118.70 120.29 2a7o s GLU 79 Ca 0.22 -0.26 -0.12 0.00 0.00 0.00 0.00 54.97 54.81 2a7o s GLU 79 Cb -0.16 0.21 0.12 0.00 2.00 0.00 0.00 34.13 36.30 2a7o s GLU 79 CO 0.07 -0.12 1.91 0.00 -0.56 0.00 0.00 175.26 176.57 2a7o n ASN 81 N 5.13 0.00 -0.04 0.00 0.23 -1.26 -4.80 115.26 114.52 2a7o n ASN 81 Ca 0.44 -0.89 -0.10 0.00 -0.53 0.00 0.00 54.58 53.49 2a7o n ASN 81 Cb 0.39 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.05 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 0.25 -0.34 -3.83 4.39 -1.98 0.60 114.58 113.67 2a7o h GLU 82 Ca 0.00 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.76 2a7o h GLU 82 Cb 0.00 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.52 2a7o h GLU 82 CO 0.00 0.17 -0.22 -0.91 -1.16 0.00 0.00 179.01 176.89 2a7o h ASN 83 N 0.25 -0.72 -0.12 1.42 2.35 -1.95 0.26 115.58 117.07 2a7o h ASN 83 Ca 0.07 0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 2a7o h ASN 83 Cb -0.02 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2a7o h ASN 83 CO -0.01 -0.25 0.01 0.58 -1.65 0.00 0.00 177.43 176.11 2a7o h VAL 84 N -0.17 1.23 -0.18 2.81 2.07 -1.68 -1.66 116.25 118.67 2a7o h VAL 84 Ca 0.17 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 67.00 2a7o h VAL 84 Cb 0.44 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 2a7o h VAL 84 CO -0.45 0.21 -0.11 0.11 0.02 0.00 0.00 177.57 177.36 2a7o h LYS 85 N -0.04 -0.11 -0.21 1.57 1.57 0.71 0.29 116.57 120.36 2a7o h LYS 85 Ca 0.04 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2a7o h LYS 85 Cb 0.32 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.59 2a7o h LYS 85 CO 0.00 -0.07 -0.28 1.25 -0.57 0.00 0.00 179.45 179.78 2a7o h HIS 86 N -0.11 -0.76 -0.68 -1.35 2.76 -0.42 0.44 115.15 115.03 2a7o h HIS 86 Ca 0.11 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2a7o h HIS 86 Cb 0.27 0.37 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 2a7o h HIS 86 CO -0.26 -0.36 0.32 -0.22 -1.30 0.00 0.00 177.93 176.11 2a7o h LYS 87 N -0.31 0.97 0.32 5.26 3.64 -0.51 -1.72 116.57 124.23 2a7o h LYS 87 Ca 0.12 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2a7o h LYS 87 Cb 0.50 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2a7o h LYS 87 CO -0.39 0.76 -0.15 1.15 -2.27 0.00 0.00 179.45 178.55 2a7o h THR 88 N 0.97 0.05 -0.61 1.00 2.02 0.58 0.14 112.91 117.05 2a7o h THR 88 Ca 0.24 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 2a7o h THR 88 Cb 0.11 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2a7o h THR 88 CO -0.03 0.01 0.31 0.07 0.37 0.00 0.00 175.52 176.25 2a7o h LYS 89 N -1.11 0.86 -0.18 6.66 5.09 -0.96 0.37 116.57 127.31 2a7o h LYS 89 Ca -0.04 -0.10 -0.09 0.00 0.09 0.00 0.00 60.65 60.50 2a7o h LYS 89 Cb 0.35 -0.17 -0.01 0.00 0.10 0.00 0.00 32.23 32.50 2a7o h LYS 89 CO 0.07 0.66 -0.30 0.93 -2.09 0.00 0.00 179.45 178.72 2a7o h GLU 90 N 0.86 0.35 -0.05 0.07 4.39 -1.34 0.08 114.58 118.93 2a7o h GLU 90 Ca 0.22 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 2a7o h GLU 90 Cb 0.07 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2a7o h GLU 90 CO -0.03 0.62 0.00 -0.92 -1.16 0.00 0.00 179.01 177.52 2a7o h TYR 91 N 0.31 0.10 -0.48 4.33 3.20 0.67 -1.78 116.97 123.32 2a7o h TYR 91 Ca 0.04 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.99 2a7o h TYR 91 Cb 0.68 -0.03 -0.09 0.00 1.54 0.00 0.00 36.73 38.84 2a7o h TYR 91 CO 0.02 0.37 -0.08 0.82 -1.64 0.00 0.00 178.16 177.65 2a7o h ILE 92 N -0.19 0.55 0.05 1.81 1.08 0.00 0.48 117.51 121.29 2a7o h ILE 92 Ca 0.02 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2a7o h ILE 92 Cb 0.33 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 34.54 2a7o h ILE 92 CO 0.00 0.01 -0.49 0.11 -0.69 0.00 0.00 178.15 177.09 2a7o h LYS 93 N 0.04 -0.65 -0.05 2.37 1.79 -0.76 0.96 116.57 120.28 2a7o h LYS 93 Ca 0.24 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.65 2a7o h LYS 93 Cb 0.36 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 2a7o h LYS 93 CO -0.47 -0.43 -0.43 0.87 -1.08 0.00 0.00 179.45 177.92 2a7o h LYS 94 N -0.67 0.10 0.14 3.15 1.57 -0.59 -1.33 116.57 118.94 2a7o h LYS 94 Ca 0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2a7o h LYS 94 Cb 0.71 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2a7o h LYS 94 CO -0.31 0.51 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.09 2a7o h TYR 95 N 0.08 -0.18 0.00 -1.35 3.20 0.48 -2.81 116.97 116.39 2a7o h TYR 95 Ca 0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2a7o h TYR 95 Cb 0.79 0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2a7o h TYR 95 CO 0.01 0.09 0.00 0.52 -1.64 0.00 0.00 178.16 177.14 2a7o h MET 96 N -0.45 0.00 0.00 1.82 2.86 -0.11 -1.43 114.93 117.62 2a7o h MET 96 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2a7o h MET 96 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2a7o h MET 96 CO 0.03 0.00 -0.03 1.96 1.06 0.00 0.00 176.91 179.93 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.00 -2.46 115.11 114.45 2a7o h GLN 97 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 2a7o h GLN 97 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2a7o h GLN 97 CO 0.00 0.03 -0.39 1.57 -0.95 0.00 0.00 178.83 179.09 2a7o h LYS 98 N 0.00 0.00 -0.13 1.46 2.10 -1.27 -3.26 116.57 115.47 2a7o h LYS 98 Ca -0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 2a7o h LYS 98 Cb 0.28 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2a7o h LYS 98 CO 0.00 0.39 -0.22 0.74 -2.00 0.00 0.00 179.45 178.37 2a7o h PHE 99 N 0.00 0.46 0.00 0.07 0.04 -1.57 -3.50 116.94 112.45 2a7o h PHE 99 Ca -0.00 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.61 2a7o h PHE 99 Cb 1.20 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.26 2a7o h PHE 99 CO 0.00 0.83 0.00 0.41 -0.60 0.00 0.00 178.31 178.95 2a7o n GLY 100 N 0.37 0.33 0.11 -1.45 0.00 -1.23 -4.61 105.19 98.71 2a7o n GLY 100 Ca -0.07 -1.41 -0.19 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.04 -2.85 4.61 0.00 -1.91 0.25 119.26 119.31 2a7o h ALA 101 Ca 0.00 -0.64 -0.63 0.00 0.00 0.00 0.00 54.91 53.65 2a7o h ALA 101 Cb 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 17.71 2a7o h ALA 101 CO 0.00 0.32 -0.75 0.08 0.00 0.00 0.00 179.25 178.90 2a7o s VAL 102 N -2.62 2.83 -0.66 0.00 1.01 -1.26 -0.42 120.40 119.29 2a7o s VAL 102 Ca -0.14 -1.93 -0.25 0.00 0.00 0.00 0.00 61.98 59.66 2a7o s VAL 102 Cb 0.01 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 34.02 2a7o s VAL 102 CO 0.81 -0.19 1.08 -0.47 0.00 0.00 0.00 175.10 176.34 2a7o s TYR 103 N -1.89 2.56 -0.61 5.22 5.04 0.79 -4.51 117.35 123.96 2a7o s TYR 103 Ca 0.25 -0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.65 2a7o s TYR 103 Cb -0.08 -4.38 0.16 0.00 0.35 0.00 0.00 41.96 38.01 2a7o s TYR 103 CO 0.14 -1.72 0.43 0.15 -1.34 0.00 0.00 175.55 173.20 2a7o s LYS 104 N 4.66 2.55 0.58 4.97 1.02 -1.26 -4.62 119.74 127.65 2a7o s LYS 104 Ca 0.30 -2.42 0.33 0.00 0.02 0.00 0.00 55.97 54.20 2a7o s LYS 104 Cb -0.12 -3.76 1.82 0.00 -0.52 0.00 0.00 37.83 35.25 2a7o s LYS 104 CO 0.15 -1.17 2.20 -1.00 -0.92 0.00 0.00 175.35 174.61 2a7o h PRO 105 N 7.23 0.00 0.00 -1.68 0.13 -1.98 0.12 132.00 135.82 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 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2a7o h PRO 105 CO 0.72 0.04 0.16 1.57 -0.23 0.00 0.00 178.00 180.27 2a7o h LYS 106 N 0.00 0.00 -0.42 0.86 2.10 -2.02 -0.84 116.57 116.24 2a7o h LYS 106 Ca -0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 2a7o h LYS 106 Cb 0.17 0.00 -0.31 0.00 -0.90 0.00 0.00 32.23 31.19 2a7o h LYS 106 CO 0.01 0.00 -0.81 0.39 -2.00 0.00 0.00 179.45 177.04 2a7o n GLU 107 N -2.88 2.41 0.00 0.07 1.02 0.43 -5.06 120.64 116.63 2a7o n GLU 107 Ca -0.02 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.49 2a7o n GLU 107 Cb 0.22 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 2a7o n GLU 107 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2a7o n ASP 108 N -0.69 -0.30 0.00 1.62 5.68 -0.32 -4.74 116.55 117.81 2a7o n ASP 108 Ca 0.27 -0.81 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 2a7o n ASP 108 Cb 0.88 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 2a7o n ASP 108 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94