#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 0.29 -0.05 3.42 7.64 -1.26 -0.04 113.62 123.62 2a7o n SER 11 Ca 0.00 -0.85 -0.15 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 0.77 -3.01 0.00 0.00 175.04 172.80 2a7o h SER 12 N 0.42 0.08 0.36 6.43 4.64 -1.99 -3.18 113.55 120.31 2a7o h SER 12 Ca 0.00 -0.92 -0.32 0.00 -0.47 0.00 0.00 61.79 60.08 2a7o h SER 12 Cb 0.18 -0.03 0.03 0.00 -0.31 0.00 0.00 62.40 62.27 2a7o h SER 12 CO 0.00 0.99 -1.43 1.05 -0.87 0.00 0.00 176.83 176.57 2a7o h GLU 13 N -0.81 0.48 -0.68 4.77 4.11 -1.88 -3.28 114.58 117.27 2a7o h GLU 13 Ca -0.02 -0.81 0.14 0.00 0.07 0.00 0.00 59.36 58.74 2a7o h GLU 13 Cb 1.02 0.30 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 2a7o h GLU 13 CO 0.02 1.39 0.46 1.25 0.07 0.00 0.00 179.01 182.20 2a7o h LEU 14 N 0.13 0.32 -0.69 3.06 6.46 -0.63 -0.45 115.31 123.51 2a7o h LEU 14 Ca -0.23 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.48 2a7o h LEU 14 Cb 2.13 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 42.00 2a7o h LEU 14 CO 0.26 0.17 -0.31 0.00 -0.62 0.00 0.00 178.44 177.94 2a7o h ALA 15 N 1.67 0.91 -0.32 1.25 0.00 -1.61 0.39 119.26 121.55 2a7o h ALA 15 Ca 0.33 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2a7o h ALA 15 Cb 0.81 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2a7o h ALA 15 CO -0.09 0.39 -0.10 -0.22 0.00 0.00 0.00 179.25 179.23 2a7o h LYS 16 N 0.00 0.54 0.18 0.00 3.64 -1.18 -2.04 116.57 117.71 2a7o h LYS 16 Ca -0.00 -0.15 -0.29 0.00 -1.27 0.00 0.00 60.65 58.94 2a7o h LYS 16 Cb 0.97 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2a7o h LYS 16 CO 0.04 0.64 -1.35 0.87 -2.27 0.00 0.00 179.45 177.38 2a7o h LYS 17 N 0.51 0.39 -0.34 1.90 6.56 -1.40 -3.38 116.57 120.81 2a7o h LYS 17 Ca 0.10 -0.66 -0.02 0.00 -1.06 0.00 0.00 60.65 59.01 2a7o h LYS 17 Cb 0.47 0.25 -0.02 0.00 -0.57 0.00 0.00 32.23 32.36 2a7o h LYS 17 CO 0.03 1.32 0.15 0.66 -2.06 0.00 0.00 179.45 179.55 2a7o h SER 18 N -0.09 0.45 -0.36 0.86 4.64 0.13 -0.89 113.55 118.28 2a7o h SER 18 Ca -0.26 -0.14 0.04 0.00 -0.47 0.00 0.00 61.79 60.96 2a7o h SER 18 Cb 1.93 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.89 2a7o h SER 18 CO 0.18 0.47 0.24 0.11 -0.87 0.00 0.00 176.83 176.96 2a7o h LYS 19 N 0.41 0.30 0.00 4.77 1.57 -1.59 0.77 116.57 122.80 2a7o h LYS 19 Ca 0.12 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2a7o h LYS 19 Cb 0.14 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2a7o h LYS 19 CO -0.01 0.20 -0.13 0.93 -0.57 0.00 0.00 179.45 179.86 2a7o h GLU 20 N 0.31 0.09 -0.77 3.15 4.39 -1.54 0.62 114.58 120.82 2a7o h GLU 20 Ca 0.15 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2a7o h GLU 20 Cb 0.22 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2a7o h GLU 20 CO -0.03 0.87 0.39 0.28 -1.16 0.00 0.00 179.01 179.36 2a7o h VAL 21 N -0.66 1.24 0.32 3.13 2.07 -0.68 0.16 116.25 121.83 2a7o h VAL 21 Ca -0.02 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2a7o h VAL 21 Cb 0.92 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2a7o h VAL 21 CO 0.03 0.28 -0.15 0.15 0.02 0.00 0.00 177.57 177.89 2a7o h PHE 22 N 1.07 -0.40 0.00 1.57 3.57 0.54 0.22 116.94 123.51 2a7o h PHE 22 Ca 0.27 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2a7o h PHE 22 Cb 0.08 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 2a7o h PHE 22 CO 0.01 -0.13 -0.03 0.07 -2.23 0.00 0.00 178.31 175.99 2a7o h ARG 23 N -0.62 0.00 -0.06 1.11 -0.00 -0.70 -0.09 114.38 114.01 2a7o h ARG 23 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.91 2a7o h ARG 23 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.42 2a7o h ARG 23 CO 0.07 0.03 -0.05 -0.22 -0.00 0.00 0.00 179.97 179.80 2a7o h LYS 24 N 0.00 0.15 0.06 0.08 3.11 -0.18 0.31 116.57 120.10 2a7o h LYS 24 Ca -0.00 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 2a7o h LYS 24 Cb 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 2a7o h LYS 24 CO 0.00 0.57 -0.06 0.93 -2.81 0.00 0.00 179.45 178.08 2a7o h GLU 25 N -0.27 -0.12 -0.15 1.90 4.39 -0.40 -1.08 114.58 118.85 2a7o h GLU 25 Ca 0.01 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 2a7o h GLU 25 Cb 0.53 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2a7o h GLU 25 CO 0.01 -0.08 -0.27 1.98 -1.16 0.00 0.00 179.01 179.49 2a7o h MET 26 N -0.13 0.27 -0.71 2.33 4.05 -1.03 0.24 114.93 119.96 2a7o h MET 26 Ca 0.00 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 2a7o h MET 26 Cb 0.13 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.88 2a7o h MET 26 CO -0.02 0.53 0.17 0.77 0.23 0.00 0.00 176.91 178.59 2a7o h SER 27 N 0.25 1.08 -0.17 1.39 0.02 0.16 0.39 113.55 116.66 2a7o h SER 27 Ca 0.04 -0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 60.63 2a7o h SER 27 Cb 0.62 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2a7o h SER 27 CO 0.04 1.04 -0.38 0.06 -1.14 0.00 0.00 176.83 176.46 2a7o h GLN 28 N 1.08 0.56 -0.16 3.45 -0.00 -0.48 0.22 115.11 119.78 2a7o h GLN 28 Ca 0.22 -0.37 -0.00 0.00 -0.00 0.00 0.00 58.65 58.50 2a7o h GLN 28 Cb 0.38 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.91 2a7o h GLN 28 CO 0.00 0.99 0.10 0.35 -0.00 0.00 0.00 178.83 180.27 2a7o h PHE 29 N 0.22 0.21 -0.47 0.06 3.57 -0.32 0.66 116.94 120.87 2a7o h PHE 29 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2a7o h PHE 29 Cb 0.98 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2a7o h PHE 29 CO 0.09 0.16 0.17 0.82 -2.23 0.00 0.00 178.31 177.33 2a7o h ILE 30 N 0.19 1.21 -0.55 1.41 2.04 -0.14 0.56 117.51 122.24 2a7o h ILE 30 Ca 0.06 -0.67 0.10 0.00 1.00 0.00 0.00 64.86 65.34 2a7o h ILE 30 Cb 0.01 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 36.80 2a7o h ILE 30 CO -0.01 0.25 0.11 0.58 0.00 0.00 0.00 178.15 179.08 2a7o h VAL 31 N 0.61 0.68 -0.59 1.67 2.07 -0.29 0.40 116.25 120.80 2a7o h VAL 31 Ca 0.15 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2a7o h VAL 31 Cb 0.22 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2a7o h VAL 31 CO -0.01 0.04 0.37 -0.61 0.02 0.00 0.00 177.57 177.38 2a7o h GLN 32 N 0.24 0.71 -0.55 1.57 5.75 -0.33 0.12 115.11 122.63 2a7o h GLN 32 Ca 0.28 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.68 2a7o h GLN 32 Cb 0.39 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2a7o h GLN 32 CO -0.36 0.47 0.11 0.00 -2.65 0.00 0.00 178.83 176.39 2a7o h LEU 34 N 0.82 0.00 -0.97 0.00 3.38 0.48 -3.37 115.31 115.66 2a7o h LEU 34 Ca 0.18 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.35 2a7o h LEU 34 Cb 0.34 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.90 2a7o h LEU 34 CO 0.00 0.38 -0.22 0.78 0.09 0.00 0.00 178.44 179.48 2a7o h ASN 35 N 0.00 -0.86 0.59 -0.43 2.35 -0.55 0.11 115.58 116.80 2a7o h ASN 35 Ca -0.00 0.29 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2a7o h ASN 35 Cb 1.28 0.59 0.00 0.00 0.05 0.00 0.00 38.32 40.24 2a7o h ASN 35 CO 0.05 -0.32 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 -2.77 132.00 128.43 2a7o h PRO 36 Ca 0.48 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.46 2a7o h PRO 36 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 2a7o h PRO 36 CO -0.99 0.00 -1.09 1.88 -0.23 0.00 0.00 178.00 177.58 2a7o h TYR 37 N 0.00 0.00 -0.00 1.56 -1.99 -1.04 -3.29 116.97 112.22 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 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 2a7o h TYR 37 CO 0.00 0.58 -0.08 2.89 -0.00 0.00 0.00 178.16 181.54 2a7o n ARG 38 N -3.03 0.42 -2.73 4.88 1.85 -0.92 -0.00 116.66 117.14 2a7o n ARG 38 Ca -0.05 -0.09 -0.32 0.00 -1.00 0.00 0.00 57.85 56.39 2a7o n ARG 38 Cb 0.81 -1.50 -0.04 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 -2.64 3.94 0.00 2.89 1.02 -1.24 -4.72 119.74 119.00 2a7o s LYS 39 Ca 0.25 0.78 0.06 0.00 0.02 0.00 0.00 55.97 57.08 2a7o s LYS 39 Cb 0.20 -2.27 0.38 0.00 -0.52 0.00 0.00 37.83 35.61 2a7o s LYS 39 CO 0.50 -0.09 1.03 -0.35 -0.92 0.00 0.00 175.35 175.52 2a7o n PRO 40 N -1.15 0.76 -0.00 -1.68 -0.04 -1.26 -2.07 135.00 129.55 2a7o n PRO 40 Ca 0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 2a7o n PRO 40 Cb 0.54 -1.13 -0.12 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.63 0.91 -4.67 3.54 2.03 -1.26 -4.94 116.55 111.53 2a7o n ASP 41 Ca 0.05 -0.92 -0.42 0.00 0.52 0.00 0.00 54.79 54.02 2a7o n ASP 41 Cb 0.02 1.06 -0.03 0.00 -0.72 0.00 0.00 41.12 41.45 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 8.93 0.27 -4.12 0.00 1.57 -1.91 -3.41 116.57 117.91 2a7o h LYS 43 Ca -0.37 -0.46 -0.50 0.00 -1.87 0.00 0.00 60.65 57.45 2a7o h LYS 43 Cb 1.16 0.17 -0.37 0.00 0.08 0.00 0.00 32.23 33.28 2a7o h LYS 43 CO 0.95 1.17 -0.79 0.08 -0.57 0.00 0.00 179.45 180.28 2a7o s VAL 44 N -2.63 0.85 -0.48 0.50 1.01 -1.26 -4.31 120.40 114.09 2a7o s VAL 44 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2a7o s VAL 44 Cb 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2a7o s VAL 44 CO 0.87 0.33 0.40 0.61 0.00 0.00 0.00 175.10 177.32 2a7o n GLY 45 N 4.86 0.17 3.67 4.51 0.00 0.80 -4.83 105.19 114.38 2a7o n GLY 45 Ca -0.13 -0.27 -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 -4.72 4.28 -0.20 1.61 3.52 0.56 -4.45 118.95 119.55 2a7o s ARG 46 Ca 0.04 1.70 -0.29 0.00 -0.13 0.00 0.00 55.73 57.06 2a7o s ARG 46 Cb -0.02 -3.68 -0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2a7o s ARG 46 CO 0.28 -0.61 1.19 0.42 -0.81 0.00 0.00 175.30 175.78 2a7o s ILE 47 N 2.97 4.41 0.06 4.11 1.01 1.00 0.04 121.20 134.79 2a7o s ILE 47 Ca 0.56 1.69 -0.36 0.00 0.00 0.00 0.00 60.65 62.54 2a7o s ILE 47 Cb -0.24 -4.12 -0.20 0.00 0.01 0.00 0.00 42.46 37.91 2a7o s ILE 47 CO 0.19 -0.18 1.54 0.71 0.00 0.00 0.00 174.94 177.19 2a7o h THR 48 N 5.52 0.00 -3.31 2.92 1.35 -1.87 -3.41 112.91 114.10 2a7o h THR 48 Ca -0.24 -0.00 -0.37 0.00 -0.55 0.00 0.00 66.41 65.25 2a7o h THR 48 Cb 1.09 0.00 -0.14 0.00 -1.73 0.00 0.00 68.15 67.36 2a7o h THR 48 CO 0.98 0.00 -0.67 -0.89 -0.25 0.00 0.00 175.52 174.69 2a7o s THR 49 N -5.84 1.09 0.21 6.82 2.01 -1.26 -5.03 115.64 113.64 2a7o s THR 49 Ca -0.19 -2.05 -0.09 0.00 0.31 0.00 0.00 61.69 59.68 2a7o s THR 49 Cb 0.02 -2.23 0.16 0.00 0.01 0.00 0.00 72.50 70.46 2a7o s THR 49 CO 0.57 -0.43 1.81 0.00 -0.69 0.00 0.00 174.62 175.89 2a7o h THR 50 N 2.54 1.24 -0.46 -0.82 1.03 -1.98 0.64 112.91 115.11 2a7o h THR 50 Ca -0.38 -0.66 -0.02 0.00 -0.01 0.00 0.00 66.41 65.34 2a7o h THR 50 Cb 1.22 0.23 -0.02 0.00 -1.07 0.00 0.00 68.15 68.50 2a7o h THR 50 CO 0.64 0.29 0.22 -0.33 -0.01 0.00 0.00 175.52 176.33 2a7o h GLU 51 N 1.11 0.64 -0.19 0.00 5.08 -1.98 0.19 114.58 119.43 2a7o h GLU 51 Ca 0.27 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.38 2a7o h GLU 51 Cb 0.09 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2a7o h GLU 51 CO -0.04 0.50 -0.60 -0.44 -1.00 0.00 0.00 179.01 177.44 2a7o h ASP 52 N 0.64 0.85 -0.15 1.42 3.32 -1.80 -0.03 116.42 120.68 2a7o h ASP 52 Ca 0.16 -0.59 0.03 0.00 0.02 0.00 0.00 57.03 56.65 2a7o h ASP 52 Cb 0.07 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2a7o h ASP 52 CO -0.02 1.30 -0.03 0.15 -1.72 0.00 0.00 179.24 178.91 2a7o h PHE 53 N 0.46 -0.07 -0.67 4.55 3.04 -0.11 0.01 116.94 124.15 2a7o h PHE 53 Ca -0.02 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 2a7o h PHE 53 Cb 1.22 0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.76 2a7o h PHE 53 CO 0.09 -0.06 0.16 0.87 -2.02 0.00 0.00 178.31 177.35 2a7o h LYS 54 N 0.00 1.07 -0.24 1.11 1.57 -0.56 0.10 116.57 119.62 2a7o h LYS 54 Ca 0.07 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 2a7o h LYS 54 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2a7o h LYS 54 CO -0.15 0.96 0.13 1.25 -0.57 0.00 0.00 179.45 181.07 2a7o h HIS 55 N 1.00 0.33 -0.29 -1.35 2.76 -0.64 -1.09 115.15 115.86 2a7o h HIS 55 Ca 0.21 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 2a7o h HIS 55 Cb 0.37 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 2a7o h HIS 55 CO 0.03 0.27 -0.15 1.25 -1.30 0.00 0.00 177.93 178.04 2a7o h LEU 56 N 0.28 0.64 -1.04 0.26 6.46 -0.81 -1.16 115.31 119.94 2a7o h LEU 56 Ca 0.08 -0.41 0.10 0.00 -0.12 0.00 0.00 57.88 57.54 2a7o h LEU 56 Cb 0.05 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 39.73 2a7o h LEU 56 CO -0.01 0.91 0.63 0.00 -0.62 0.00 0.00 178.44 179.34 2a7o h ALA 57 N 0.75 1.52 0.13 1.25 0.00 -0.52 0.66 119.26 123.04 2a7o h ALA 57 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2a7o h ALA 57 Cb 0.67 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2a7o h ALA 57 CO 0.04 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.50 2a7o h ARG 58 N 1.02 -0.16 -0.21 0.00 3.08 -0.98 -1.48 114.38 115.64 2a7o h ARG 58 Ca 0.47 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.58 2a7o h ARG 58 Cb 0.40 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.44 2a7o h ARG 58 CO -0.23 0.05 -0.11 0.87 -1.07 0.00 0.00 179.97 179.49 2a7o h LYS 59 N -0.36 -0.08 -0.40 0.04 1.79 -0.21 -0.65 116.57 116.69 2a7o h LYS 59 Ca -0.02 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 2a7o h LYS 59 Cb 0.29 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 2a7o h LYS 59 CO 0.03 -0.05 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.21 2a7o h LEU 60 N -0.08 0.74 -0.96 2.94 3.38 -0.87 0.13 115.31 120.59 2a7o h LEU 60 Ca 0.12 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.78 2a7o h LEU 60 Cb 0.26 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 2a7o h LEU 60 CO -0.27 0.91 0.62 0.74 0.09 0.00 0.00 178.44 180.53 2a7o h THR 61 N 0.56 1.15 -0.17 0.22 2.02 -1.08 -1.23 112.91 114.38 2a7o h THR 61 Ca 0.11 -0.41 -0.16 0.00 0.77 0.00 0.00 66.41 66.72 2a7o h THR 61 Cb 0.57 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2a7o h THR 61 CO 0.03 0.22 -0.55 -0.74 0.37 0.00 0.00 175.52 174.85 2a7o h HIS 62 N 1.20 0.65 -0.13 3.16 -0.00 -0.48 -2.45 115.15 117.09 2a7o h HIS 62 Ca 0.39 -0.23 -0.10 0.00 -0.00 0.00 0.00 60.37 60.42 2a7o h HIS 62 Cb 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 2a7o h HIS 62 CO -0.01 0.95 -0.32 0.78 -0.00 0.00 0.00 177.93 179.33 2a7o h GLY 63 N 1.11 0.48 1.27 5.26 0.00 -0.07 -0.97 103.07 110.15 2a7o h GLY 63 Ca 0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 2a7o h GLY 63 CO 0.10 0.54 0.12 -2.08 0.00 0.00 0.00 176.54 175.22 2a7o h VAL 64 N 0.03 1.24 -0.01 4.60 2.07 -1.26 0.52 116.25 123.44 2a7o h VAL 64 Ca -0.00 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2a7o h VAL 64 Cb 0.93 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2a7o h VAL 64 CO 0.07 0.33 0.01 -0.03 0.02 0.00 0.00 177.57 177.97 2a7o h MET 65 N 0.87 0.02 -0.44 1.57 -1.53 -1.42 -0.83 114.93 113.17 2a7o h MET 65 Ca 0.18 -0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.35 2a7o h MET 65 Cb 0.34 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 2a7o h MET 65 CO 0.00 0.05 -0.07 -0.91 0.14 0.00 0.00 176.91 176.13 2a7o h ASN 66 N -0.02 0.82 -0.59 1.39 2.35 -0.76 0.13 115.58 118.91 2a7o h ASN 66 Ca 0.01 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2a7o h ASN 66 Cb 0.04 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 2a7o h ASN 66 CO -0.00 0.97 0.37 0.11 -1.65 0.00 0.00 177.43 177.23 2a7o h LYS 67 N 0.65 0.79 0.09 0.81 6.56 -0.61 -0.84 116.57 124.03 2a7o h LYS 67 Ca 0.12 -0.06 -0.27 0.00 -1.06 0.00 0.00 60.65 59.37 2a7o h LYS 67 Cb 0.60 -0.17 0.01 0.00 -0.57 0.00 0.00 32.23 32.10 2a7o h LYS 67 CO 0.04 0.56 -1.16 1.05 -2.06 0.00 0.00 179.45 177.87 2a7o h GLU 68 N 0.80 0.43 -0.35 3.15 4.11 -1.06 -1.31 114.58 120.36 2a7o h GLU 68 Ca 0.21 -0.59 0.10 0.00 0.07 0.00 0.00 59.36 59.15 2a7o h GLU 68 Cb -0.04 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2a7o h GLU 68 CO -0.04 1.24 0.28 -0.07 0.07 0.00 0.00 179.01 180.49 2a7o h LEU 69 N 0.19 0.00 0.11 3.06 3.38 -0.46 0.83 115.31 122.41 2a7o h LEU 69 Ca -0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2a7o h LEU 69 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2a7o h LEU 69 CO 0.21 0.00 -0.05 0.11 0.09 0.00 0.00 178.44 178.79 2a7o h LYS 70 N 0.00 -0.14 0.00 1.13 1.57 -0.89 -2.22 116.57 116.03 2a7o h LYS 70 Ca 0.16 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2a7o h LYS 70 Cb 0.73 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 2a7o h LYS 70 CO -0.00 0.34 -0.30 1.88 -0.57 0.00 0.00 179.45 180.80 2a7o h TYR 71 N -0.90 0.00 0.00 -1.35 0.05 -0.42 -2.83 116.97 111.52 2a7o h TYR 71 Ca -0.01 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.47 2a7o h TYR 71 Cb 0.54 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.23 2a7o h TYR 71 CO 0.11 0.30 -1.85 0.00 -1.05 0.00 0.00 178.16 175.67 2a7o n LYS 73 N -2.96 0.00 -4.05 0.00 4.01 -0.83 -4.79 118.16 109.54 2a7o n LYS 73 Ca -0.20 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.25 2a7o n LYS 73 Cb 1.06 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 35.47 2a7o n LYS 73 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2a7o s ASN 74 N 0.00 5.30 0.00 4.39 0.01 -1.26 -4.89 114.94 118.48 2a7o s ASN 74 Ca 0.00 -0.04 0.16 0.00 -0.71 0.00 0.00 52.86 52.27 2a7o s ASN 74 Cb 0.00 -1.91 0.97 0.00 0.41 0.00 0.00 41.25 40.72 2a7o s ASN 74 CO 0.00 0.12 1.39 -0.81 -1.51 0.00 0.00 177.10 176.29 2a7o n PRO 75 N 3.88 0.49 0.30 -0.60 -0.04 -1.26 -1.96 135.00 135.81 2a7o n PRO 75 Ca -0.17 0.01 0.20 0.00 -0.04 0.00 0.00 63.50 63.50 2a7o n PRO 75 Cb 0.52 -1.50 1.03 0.00 -0.04 0.00 0.00 33.50 33.51 2a7o n PRO 75 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2a7o h GLU 76 N 0.00 0.00 -0.18 0.54 4.81 -1.94 -0.97 114.58 116.84 2a7o h GLU 76 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2a7o h GLU 76 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2a7o h GLU 76 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 179.01 174.81 2a7o n ASP 77 N -2.96 2.39 -4.45 1.04 2.03 -0.83 -4.85 116.55 108.92 2a7o n ASP 77 Ca -0.02 -1.76 -0.43 0.00 0.52 0.00 0.00 54.79 53.10 2a7o n ASP 77 Cb 0.12 -0.12 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 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 -0.91 5.11 -0.07 -2.67 2.96 -0.37 -5.00 118.68 117.72 2a7o s LEU 78 Ca 0.16 -0.90 -0.16 0.00 -0.22 0.00 0.00 54.13 53.01 2a7o s LEU 78 Cb 0.09 -2.26 0.03 0.00 0.50 0.00 0.00 46.19 44.56 2a7o s LEU 78 CO 0.13 -0.55 0.39 -0.70 -1.32 0.00 0.00 176.35 174.29 2a7o s GLU 79 N 1.88 0.63 -1.32 1.98 2.56 -1.26 -4.84 118.70 118.32 2a7o s GLU 79 Ca 0.08 0.16 -0.14 0.00 0.00 0.00 0.00 54.97 55.07 2a7o s GLU 79 Cb -0.19 0.29 0.11 0.00 2.00 0.00 0.00 34.13 36.34 2a7o s GLU 79 CO 0.11 -0.15 1.84 0.00 -0.56 0.00 0.00 175.26 176.50 2a7o n ASN 81 N 6.09 1.74 -0.09 0.00 0.23 -1.26 -4.85 115.26 117.12 2a7o n ASN 81 Ca 0.45 -2.21 -0.07 0.00 -0.53 0.00 0.00 54.58 52.22 2a7o n ASN 81 Cb 0.41 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 37.85 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 -0.22 -0.33 -3.83 3.07 -1.97 0.62 114.58 111.91 2a7o h GLU 82 Ca -0.22 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.73 2a7o h GLU 82 Cb 0.94 0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.83 2a7o h GLU 82 CO 0.32 -0.15 -0.10 -0.97 -1.40 0.00 0.00 179.01 176.71 2a7o h ASN 83 N -0.23 -0.36 -0.33 1.42 -0.73 -1.95 0.40 115.58 113.80 2a7o h ASN 83 Ca 0.16 0.11 -0.02 0.00 1.87 0.00 0.00 56.30 58.42 2a7o h ASN 83 Cb 0.49 0.23 -0.01 0.00 0.27 0.00 0.00 38.32 39.29 2a7o h ASN 83 CO -0.46 -0.13 0.12 0.58 -0.37 0.00 0.00 177.43 177.16 2a7o h VAL 84 N -0.02 1.20 -0.46 2.57 2.07 -1.54 -1.40 116.25 118.66 2a7o h VAL 84 Ca 0.16 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.11 2a7o h VAL 84 Cb 0.27 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2a7o h VAL 84 CO -0.36 0.22 0.20 0.11 0.02 0.00 0.00 177.57 177.76 2a7o h LYS 85 N 0.38 0.40 -0.01 1.57 1.57 0.78 0.40 116.57 121.66 2a7o h LYS 85 Ca 0.11 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2a7o h LYS 85 Cb 0.22 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2a7o h LYS 85 CO -0.01 0.26 -0.26 1.25 -0.57 0.00 0.00 179.45 180.13 2a7o h HIS 86 N 0.41 -0.69 -0.96 -1.35 2.76 0.07 0.18 115.15 115.57 2a7o h HIS 86 Ca 0.21 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 2a7o h HIS 86 Cb 0.16 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.37 2a7o h HIS 86 CO -0.12 -0.35 0.63 0.87 -1.30 0.00 0.00 177.93 177.66 2a7o h LYS 87 N -0.39 1.22 0.43 5.26 1.57 -0.80 -1.82 116.57 122.05 2a7o h LYS 87 Ca 0.07 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2a7o h LYS 87 Cb 0.48 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2a7o h LYS 87 CO -0.23 0.81 -0.21 1.15 -0.57 0.00 0.00 179.45 180.39 2a7o h THR 88 N 1.26 0.00 -0.37 -0.16 2.02 0.33 0.19 112.91 116.18 2a7o h THR 88 Ca 0.36 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2a7o h THR 88 Cb -0.08 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.31 2a7o h THR 88 CO -0.09 0.00 0.08 0.07 0.37 0.00 0.00 175.52 175.95 2a7o h LYS 89 N -1.12 0.54 -0.11 6.66 5.09 -0.68 0.36 116.57 127.31 2a7o h LYS 89 Ca -0.06 -0.09 -0.15 0.00 0.09 0.00 0.00 60.65 60.45 2a7o h LYS 89 Cb 0.45 -0.09 -0.01 0.00 0.10 0.00 0.00 32.23 32.67 2a7o h LYS 89 CO 0.10 0.50 -0.56 0.93 -2.09 0.00 0.00 179.45 178.33 2a7o h GLU 90 N 0.53 0.35 -0.13 0.07 4.39 -1.34 -1.39 114.58 117.06 2a7o h GLU 90 Ca 0.12 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 2a7o h GLU 90 Cb 0.21 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2a7o h GLU 90 CO -0.00 0.82 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.70 2a7o h TYR 91 N 0.27 0.30 -0.39 4.33 3.20 0.84 -1.67 116.97 123.85 2a7o h TYR 91 Ca 0.00 -0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.88 2a7o h TYR 91 Cb 1.07 -0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 2a7o h TYR 91 CO 0.03 0.58 -0.15 0.82 -1.64 0.00 0.00 178.16 177.80 2a7o h ILE 92 N -0.06 0.50 -0.07 1.81 1.08 -0.30 0.47 117.51 120.95 2a7o h ILE 92 Ca 0.03 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 2a7o h ILE 92 Cb 0.49 0.50 -0.06 0.00 -3.07 0.00 0.00 36.82 34.68 2a7o h ILE 92 CO 0.02 0.00 -0.53 0.11 -0.69 0.00 0.00 178.15 177.06 2a7o h LYS 93 N -0.07 -0.60 -0.23 2.37 1.79 -1.03 0.11 116.57 118.91 2a7o h LYS 93 Ca 0.19 0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.63 2a7o h LYS 93 Cb 0.37 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2a7o h LYS 93 CO -0.44 -0.40 -0.17 -0.22 -1.08 0.00 0.00 179.45 177.14 2a7o h LYS 94 N -0.62 0.40 0.05 3.15 3.64 -0.65 -1.18 116.57 121.37 2a7o h LYS 94 Ca 0.03 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2a7o h LYS 94 Cb 0.70 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2a7o h LYS 94 CO -0.40 0.56 -0.02 -0.92 -2.27 0.00 0.00 179.45 176.40 2a7o h TYR 95 N 0.37 -0.06 0.00 1.91 3.20 0.48 -2.77 116.97 120.10 2a7o h TYR 95 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2a7o h TYR 95 Cb 0.51 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.81 2a7o h TYR 95 CO 0.01 0.17 0.00 0.52 -1.64 0.00 0.00 178.16 177.23 2a7o h MET 96 N -0.29 0.00 0.00 1.82 2.86 0.29 -1.28 114.93 118.32 2a7o h MET 96 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2a7o h MET 96 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 2a7o h MET 96 CO 0.01 0.00 -0.05 1.96 1.06 0.00 0.00 176.91 179.89 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -0.96 -2.27 115.11 114.68 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 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2a7o h GLN 97 CO 0.00 0.05 0.00 0.36 -0.95 0.00 0.00 178.83 178.29 2a7o n LYS 98 N -3.25 0.20 0.06 1.46 2.85 -0.48 -3.34 118.16 115.66 2a7o n LYS 98 Ca -0.01 0.17 -0.21 0.00 -1.05 0.00 0.00 58.31 57.21 2a7o n LYS 98 Cb 0.24 -1.73 -0.15 0.00 -0.65 0.00 0.00 35.03 32.74 2a7o n LYS 98 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2a7o h PHE 99 N 0.00 0.60 0.00 5.58 0.04 -1.54 -3.47 116.94 118.15 2a7o h PHE 99 Ca 0.00 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2a7o h PHE 99 Cb 0.67 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.80 2a7o h PHE 99 CO 0.00 1.37 0.00 0.41 -0.60 0.00 0.00 178.31 179.49 2a7o n GLY 100 N 1.68 0.37 0.10 -1.45 0.00 -1.21 -4.59 105.19 100.09 2a7o n GLY 100 Ca -0.16 -1.42 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.03 -3.48 4.61 0.00 -1.91 0.23 119.26 118.68 2a7o h ALA 101 Ca 0.00 -0.59 -0.66 0.00 0.00 0.00 0.00 54.91 53.66 2a7o h ALA 101 Cb 0.00 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.67 2a7o h ALA 101 CO 0.00 0.21 -0.77 0.08 0.00 0.00 0.00 179.25 178.77 2a7o s VAL 102 N -2.57 2.97 -0.63 0.00 1.01 -1.26 -0.32 120.40 119.59 2a7o s VAL 102 Ca -0.15 -1.55 -0.28 0.00 0.00 0.00 0.00 61.98 60.00 2a7o s VAL 102 Cb -0.00 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 34.00 2a7o s VAL 102 CO 0.77 0.03 1.33 -0.47 0.00 0.00 0.00 175.10 176.76 2a7o s TYR 103 N -1.34 2.35 -0.50 5.22 5.04 0.11 -4.59 117.35 123.64 2a7o s TYR 103 Ca 0.20 0.29 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 2a7o s TYR 103 Cb -0.10 -4.50 0.13 0.00 0.35 0.00 0.00 41.96 37.84 2a7o s TYR 103 CO 0.12 -1.91 0.25 0.15 -1.34 0.00 0.00 175.55 172.82 2a7o s LYS 104 N 5.50 2.01 0.62 4.97 1.02 -1.26 -4.60 119.74 128.01 2a7o s LYS 104 Ca 0.44 -2.37 0.38 0.00 0.02 0.00 0.00 55.97 54.44 2a7o s LYS 104 Cb -0.09 -3.42 2.03 0.00 -0.52 0.00 0.00 37.83 35.83 2a7o s LYS 104 CO 0.21 -1.09 2.26 -1.00 -0.92 0.00 0.00 175.35 174.81 2a7o h PRO 105 N 7.01 0.00 0.00 -1.68 0.13 -1.97 0.32 132.00 135.80 2a7o h PRO 105 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2a7o h PRO 105 Cb 0.95 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.08 2a7o h PRO 105 CO 0.66 0.02 -0.02 1.57 -0.23 0.00 0.00 178.00 180.00 2a7o h LYS 106 N 0.00 0.00 -0.53 0.86 2.10 -2.01 -1.71 116.57 115.27 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 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2a7o h LYS 106 CO 0.00 0.02 0.00 0.39 -2.00 0.00 0.00 179.45 177.86 2a7o n GLU 107 N -3.17 3.41 -1.65 0.07 -0.58 0.11 -4.96 120.64 113.87 2a7o n GLU 107 Ca -0.01 -2.71 -0.30 0.00 -0.42 0.00 0.00 57.16 53.71 2a7o n GLU 107 Cb 0.20 -1.75 0.20 0.00 -0.57 0.00 0.00 31.44 29.52 2a7o n GLU 107 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2a7o s ASP 108 N -1.10 2.43 0.00 1.62 2.15 -0.65 -4.75 116.67 116.38 2a7o s ASP 108 Ca 0.44 0.41 0.19 0.00 0.43 0.00 0.00 52.55 54.02 2a7o s ASP 108 Cb 0.29 -0.53 1.12 0.00 -0.30 0.00 0.00 42.92 43.50 2a7o s ASP 108 CO 0.21 -3.17 1.51 1.07 -0.17 0.00 0.00 175.17 174.62