#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 0.35 0.07 3.42 7.64 -1.26 -2.16 113.62 121.68 2a7o n SER 11 Ca 0.00 0.45 -0.13 0.00 1.01 0.00 0.00 58.87 60.20 2a7o n SER 11 Cb 0.00 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.61 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 -0.09 0.70 6.43 4.64 -2.01 -1.25 113.55 121.98 2a7o h SER 12 Ca 0.00 -0.10 -0.26 0.00 -0.47 0.00 0.00 61.79 60.96 2a7o h SER 12 Cb 0.59 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2a7o h SER 12 CO 0.00 0.04 -1.21 1.05 -0.87 0.00 0.00 176.83 175.84 2a7o h GLU 13 N -0.21 0.21 -0.65 4.77 4.11 -1.98 -2.54 114.58 118.29 2a7o h GLU 13 Ca -0.01 -0.36 -0.02 0.00 0.07 0.00 0.00 59.36 59.04 2a7o h GLU 13 Cb 0.18 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2a7o h GLU 13 CO 0.02 1.16 0.35 1.25 0.07 0.00 0.00 179.01 181.86 2a7o h LEU 14 N 0.06 0.83 0.00 3.06 7.12 -1.43 -2.26 115.31 122.69 2a7o h LEU 14 Ca -0.12 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.79 2a7o h LEU 14 Cb 1.93 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.85 2a7o h LEU 14 CO 0.19 0.70 -0.53 0.00 -0.13 0.00 0.00 178.44 178.66 2a7o n ALA 15 N -2.34 3.29 -0.21 1.25 0.00 -0.47 -2.76 120.51 119.27 2a7o n ALA 15 Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 53.44 53.19 2a7o n ALA 15 Cb 0.10 -1.15 0.25 0.00 0.00 0.00 0.00 19.45 18.66 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 0.97 0.23 0.00 3.64 -0.95 0.23 116.57 120.69 2a7o h LYS 16 Ca 0.00 -0.06 -0.33 0.00 -1.27 0.00 0.00 60.65 58.99 2a7o h LYS 16 Cb 0.58 -0.22 0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2a7o h LYS 16 CO 0.00 0.64 -1.51 0.87 -2.27 0.00 0.00 179.45 177.18 2a7o h LYS 17 N 1.00 0.48 0.00 1.90 6.56 -1.57 -3.34 116.57 121.60 2a7o h LYS 17 Ca 0.27 -0.83 -0.01 0.00 -1.06 0.00 0.00 60.65 59.02 2a7o h LYS 17 Cb -0.11 0.31 -0.00 0.00 -0.57 0.00 0.00 32.23 31.85 2a7o h LYS 17 CO -0.06 1.39 -0.07 0.77 -2.06 0.00 0.00 179.45 179.43 2a7o h SER 18 N 0.13 0.00 -0.58 0.86 0.02 -1.08 0.66 113.55 113.56 2a7o h SER 18 Ca -0.26 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.65 2a7o h SER 18 Cb 2.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.65 2a7o h SER 18 CO 0.25 0.07 0.22 0.11 -1.14 0.00 0.00 176.83 176.34 2a7o h LYS 19 N 0.00 0.91 0.14 3.45 1.79 -0.71 0.39 116.57 122.54 2a7o h LYS 19 Ca -0.00 -0.16 -0.21 0.00 -2.18 0.00 0.00 60.65 58.10 2a7o h LYS 19 Cb 0.18 -0.15 0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2a7o h LYS 19 CO 0.01 0.77 -0.97 0.93 -1.08 0.00 0.00 179.45 179.10 2a7o h GLU 20 N 0.89 0.29 -0.50 3.15 4.39 -1.23 -0.33 114.58 121.25 2a7o h GLU 20 Ca 0.21 -0.49 0.00 0.00 0.34 0.00 0.00 59.36 59.42 2a7o h GLU 20 Cb 0.22 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2a7o h GLU 20 CO -0.01 1.24 0.32 0.28 -1.16 0.00 0.00 179.01 179.68 2a7o h VAL 21 N -0.35 1.13 0.21 3.13 2.07 -0.81 0.53 116.25 122.15 2a7o h VAL 21 Ca -0.18 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 2a7o h VAL 21 Cb 1.68 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2a7o h VAL 21 CO 0.13 0.13 -0.10 0.15 0.02 0.00 0.00 177.57 177.90 2a7o h PHE 22 N 0.67 -0.26 -0.47 1.57 3.57 -0.29 -1.39 116.94 120.33 2a7o h PHE 22 Ca 0.18 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.74 2a7o h PHE 22 Cb -0.07 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2a7o h PHE 22 CO -0.04 0.11 0.32 0.07 -2.23 0.00 0.00 178.31 176.54 2a7o h ARG 23 N -0.71 0.36 0.01 1.11 0.11 -0.90 0.11 114.38 114.47 2a7o h ARG 23 Ca -0.03 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 2a7o h ARG 23 Cb 0.49 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.49 2a7o h ARG 23 CO 0.05 0.24 -0.00 0.87 0.10 0.00 0.00 179.97 181.22 2a7o h LYS 24 N 0.37 -0.01 0.00 0.08 1.79 -0.60 -0.03 116.57 118.18 2a7o h LYS 24 Ca 0.21 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.55 2a7o h LYS 24 Cb 0.34 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 2a7o h LYS 24 CO -0.05 0.41 -0.59 1.05 -1.08 0.00 0.00 179.45 179.19 2a7o h GLU 25 N -0.43 0.00 0.04 3.15 4.11 -0.78 -1.43 114.58 119.24 2a7o h GLU 25 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.15 2a7o h GLU 25 Cb 0.42 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.70 2a7o h GLU 25 CO 0.00 0.59 -1.10 1.98 0.07 0.00 0.00 179.01 180.55 2a7o h MET 26 N 0.00 0.66 -0.80 1.06 4.05 -0.79 0.30 114.93 119.41 2a7o h MET 26 Ca -0.01 -0.76 -0.04 0.00 -0.28 0.00 0.00 59.70 58.62 2a7o h MET 26 Cb 1.05 0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 32.04 2a7o h MET 26 CO 0.08 1.33 0.34 0.66 0.23 0.00 0.00 176.91 179.55 2a7o h SER 27 N 0.35 1.09 -0.46 1.39 4.64 -0.83 0.32 113.55 120.04 2a7o h SER 27 Ca -0.14 -0.16 -0.04 0.00 -0.47 0.00 0.00 61.79 60.98 2a7o h SER 27 Cb 1.76 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 2a7o h SER 27 CO 0.21 0.95 0.15 1.56 -0.87 0.00 0.00 176.83 178.83 2a7o h GLN 28 N 1.16 0.71 -0.38 4.77 4.20 -1.19 0.37 115.11 124.75 2a7o h GLN 28 Ca 0.27 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2a7o h GLN 28 Cb 0.19 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2a7o h GLN 28 CO -0.03 0.68 0.24 0.35 -0.67 0.00 0.00 178.83 179.41 2a7o h PHE 29 N 0.61 0.48 -0.54 2.96 3.57 -0.36 0.93 116.94 124.59 2a7o h PHE 29 Ca 0.15 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2a7o h PHE 29 Cb 0.26 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2a7o h PHE 29 CO 0.01 0.32 0.11 0.82 -2.23 0.00 0.00 178.31 177.34 2a7o h ILE 30 N 0.50 1.25 -0.51 1.41 2.04 -0.17 0.48 117.51 122.51 2a7o h ILE 30 Ca 0.14 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.17 2a7o h ILE 30 Cb -0.04 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.77 2a7o h ILE 30 CO -0.03 0.33 0.10 0.58 0.00 0.00 0.00 178.15 179.13 2a7o h VAL 31 N 0.77 0.71 -0.89 1.67 2.07 0.14 0.24 116.25 120.96 2a7o h VAL 31 Ca 0.17 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.66 2a7o h VAL 31 Cb 0.37 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2a7o h VAL 31 CO 0.01 0.04 0.56 -0.61 0.02 0.00 0.00 177.57 177.59 2a7o h GLN 32 N 0.23 1.03 -0.47 1.57 4.15 -0.23 0.17 115.11 121.55 2a7o h GLN 32 Ca 0.26 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.52 2a7o h GLN 32 Cb 0.35 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2a7o h GLN 32 CO -0.34 0.68 -0.10 0.00 -1.93 0.00 0.00 178.83 177.14 2a7o h LEU 34 N 0.77 0.00 -0.96 0.00 3.38 0.48 -3.36 115.31 115.62 2a7o h LEU 34 Ca 0.13 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.28 2a7o h LEU 34 Cb 0.60 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.18 2a7o h LEU 34 CO 0.04 0.11 -0.29 0.59 0.09 0.00 0.00 178.44 178.98 2a7o n ASN 35 N -3.12 -0.45 0.20 -0.43 5.03 0.49 -0.78 115.26 116.20 2a7o n ASN 35 Ca 0.03 1.67 0.15 0.00 0.87 0.00 0.00 54.58 57.29 2a7o n ASN 35 Cb 0.58 -0.46 0.60 0.00 -1.02 0.00 0.00 39.78 39.48 2a7o n ASN 35 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2a7o h PRO 36 N 0.00 0.00 0.00 3.52 0.13 -1.76 -3.08 132.00 130.81 2a7o h PRO 36 Ca 0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.43 2a7o h PRO 36 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 2a7o h PRO 36 CO -0.98 0.00 -0.83 1.88 -0.23 0.00 0.00 178.00 177.85 2a7o h TYR 37 N 0.00 0.00 -0.01 1.56 -1.99 -1.20 -3.19 116.97 112.14 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 0.41 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.14 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 -3.08 1.23 -2.35 4.88 1.85 -1.07 -0.12 116.66 118.00 2a7o n ARG 38 Ca -0.02 -0.53 -0.39 0.00 -1.00 0.00 0.00 57.85 55.91 2a7o n ARG 38 Cb 0.76 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.65 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 -2.13 4.27 0.10 2.89 -0.14 -1.21 -4.72 119.74 118.80 2a7o s LYS 39 Ca 0.38 1.84 0.17 0.00 -1.36 0.00 0.00 55.97 57.00 2a7o s LYS 39 Cb 0.21 -2.86 0.73 0.00 -1.68 0.00 0.00 37.83 34.23 2a7o s LYS 39 CO 0.39 -0.13 1.53 -0.35 -0.76 0.00 0.00 175.35 176.02 2a7o n PRO 40 N 0.47 0.07 -0.14 -1.68 -0.04 -1.26 -1.60 135.00 130.82 2a7o n PRO 40 Ca 0.02 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 63.93 2a7o n PRO 40 Cb 0.46 -1.64 0.17 0.00 -0.04 0.00 0.00 33.50 32.45 2a7o n PRO 40 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2a7o n ASP 41 N -1.78 3.20 -4.72 3.54 2.03 -1.26 -4.96 116.55 112.61 2a7o n ASP 41 Ca 0.03 -1.94 -0.42 0.00 0.52 0.00 0.00 54.79 52.98 2a7o n ASP 41 Cb 0.18 -0.18 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a7o h LYS 43 N 6.57 0.00 -3.79 0.00 1.57 -1.90 -3.42 116.57 115.60 2a7o h LYS 43 Ca -0.43 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 57.97 2a7o h LYS 43 Cb 1.20 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.17 2a7o h LYS 43 CO 0.92 0.71 -0.76 0.54 -0.57 0.00 0.00 179.45 180.28 2a7o s VAL 44 N -2.70 0.30 -0.96 0.50 0.11 -1.26 -4.24 120.40 112.16 2a7o s VAL 44 Ca -0.01 0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 59.03 2a7o s VAL 44 Cb 0.09 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2a7o s VAL 44 CO 0.82 0.19 0.83 0.61 -3.33 0.00 0.00 175.10 174.22 2a7o n GLY 45 N 4.32 -0.12 3.64 6.54 0.00 0.16 -4.90 105.19 114.83 2a7o n GLY 45 Ca -0.22 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -5.79 3.89 -0.25 1.61 3.52 0.28 -4.32 118.95 117.88 2a7o s ARG 46 Ca 0.36 1.82 -0.29 0.00 -0.13 0.00 0.00 55.73 57.49 2a7o s ARG 46 Cb -0.16 -4.03 -0.01 0.00 -1.56 0.00 0.00 34.95 29.20 2a7o s ARG 46 CO 0.52 -1.18 1.34 0.42 -0.81 0.00 0.00 175.30 175.59 2a7o s ILE 47 N 4.94 4.10 0.06 4.11 1.01 0.83 -0.40 121.20 135.85 2a7o s ILE 47 Ca 0.73 1.27 -0.29 0.00 0.00 0.00 0.00 60.65 62.35 2a7o s ILE 47 Cb -0.27 -4.04 -0.15 0.00 0.01 0.00 0.00 42.46 38.00 2a7o s ILE 47 CO 0.29 -0.36 1.45 0.71 0.00 0.00 0.00 174.94 177.02 2a7o h THR 48 N 5.87 0.00 -3.34 2.92 1.35 -1.89 -3.42 112.91 114.40 2a7o h THR 48 Ca -0.27 0.00 -0.35 0.00 -0.55 0.00 0.00 66.41 65.23 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 -0.72 -0.89 -0.25 0.00 0.00 175.52 174.67 2a7o s THR 49 N -5.30 1.26 0.29 6.82 2.01 -1.26 -5.03 115.64 114.43 2a7o s THR 49 Ca -0.15 -2.03 -0.02 0.00 0.31 0.00 0.00 61.69 59.80 2a7o s THR 49 Cb 0.03 -1.82 0.26 0.00 0.01 0.00 0.00 72.50 70.98 2a7o s THR 49 CO 0.48 -0.68 1.96 0.00 -0.69 0.00 0.00 174.62 175.68 2a7o h THR 50 N 2.86 1.20 -0.29 -0.82 1.03 -1.98 0.52 112.91 115.43 2a7o h THR 50 Ca -0.37 -0.39 -0.03 0.00 -0.01 0.00 0.00 66.41 65.60 2a7o h THR 50 Cb 1.20 -0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 68.22 2a7o h THR 50 CO 0.61 0.21 0.03 1.05 -0.01 0.00 0.00 175.52 177.42 2a7o h GLU 51 N 1.15 0.42 -0.16 0.00 4.11 -1.98 0.22 114.58 118.34 2a7o h GLU 51 Ca 0.32 -0.07 -0.14 0.00 0.07 0.00 0.00 59.36 59.54 2a7o h GLU 51 Cb -0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2a7o h GLU 51 CO -0.08 0.42 -0.43 -0.44 0.07 0.00 0.00 179.01 178.55 2a7o h ASP 52 N 0.41 0.66 -0.04 3.06 3.32 -1.68 -0.17 116.42 121.99 2a7o h ASP 52 Ca 0.10 -0.58 0.03 0.00 0.02 0.00 0.00 57.03 56.59 2a7o h ASP 52 Cb 0.22 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2a7o h ASP 52 CO 0.00 1.13 -0.15 0.15 -1.72 0.00 0.00 179.24 178.64 2a7o h PHE 53 N 0.23 -0.40 -0.68 4.55 3.04 -0.29 -0.51 116.94 122.88 2a7o h PHE 53 Ca -0.01 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 2a7o h PHE 53 Cb 1.05 0.18 -0.03 0.00 2.56 0.00 0.00 35.95 39.71 2a7o h PHE 53 CO 0.10 -0.23 0.41 0.87 -2.02 0.00 0.00 178.31 177.44 2a7o h LYS 54 N -0.24 0.92 -0.25 1.11 1.57 -0.51 0.17 116.57 119.34 2a7o h LYS 54 Ca 0.06 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2a7o h LYS 54 Cb 0.32 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2a7o h LYS 54 CO -0.18 0.65 0.11 1.25 -0.57 0.00 0.00 179.45 180.72 2a7o h HIS 55 N 0.92 0.37 -0.24 -1.35 2.76 -0.69 -1.15 115.15 115.76 2a7o h HIS 55 Ca 0.24 -0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.20 2a7o h HIS 55 Cb -0.03 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 28.82 2a7o h HIS 55 CO -0.02 0.36 -0.61 1.25 -1.30 0.00 0.00 177.93 177.61 2a7o h LEU 56 N 0.26 0.93 -0.96 0.26 5.85 -0.88 -0.94 115.31 119.83 2a7o h LEU 56 Ca 0.08 -0.53 0.09 0.00 0.84 0.00 0.00 57.88 58.37 2a7o h LEU 56 Cb 0.14 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.82 2a7o h LEU 56 CO -0.01 1.33 0.60 0.00 -0.34 0.00 0.00 178.44 180.02 2a7o h ALA 57 N 0.68 1.40 -0.11 1.25 0.00 -0.44 0.21 119.26 122.25 2a7o h ALA 57 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a7o h ALA 57 Cb 1.22 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2a7o h ALA 57 CO 0.13 0.28 0.05 0.00 0.00 0.00 0.00 179.25 179.71 2a7o h ARG 58 N 1.02 0.16 -0.59 0.00 3.08 -0.97 -1.51 114.38 115.58 2a7o h ARG 58 Ca 0.45 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.44 2a7o h ARG 58 Cb 0.34 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 2a7o h ARG 58 CO -0.23 0.23 0.21 -0.22 -1.07 0.00 0.00 179.97 178.89 2a7o h LYS 59 N 0.06 0.90 -0.30 0.04 3.64 0.31 -0.36 116.57 120.85 2a7o h LYS 59 Ca 0.04 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.11 2a7o h LYS 59 Cb 0.12 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2a7o h LYS 59 CO -0.00 0.78 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.56 2a7o h LEU 60 N 0.82 0.82 -0.91 5.20 3.38 -0.63 -0.15 115.31 123.84 2a7o h LEU 60 Ca 0.19 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2a7o h LEU 60 Cb 0.24 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2a7o h LEU 60 CO -0.01 1.13 0.59 0.74 0.09 0.00 0.00 178.44 180.98 2a7o h THR 61 N 0.52 1.15 -0.09 0.22 2.02 -0.99 -1.77 112.91 113.97 2a7o h THR 61 Ca 0.04 -0.39 -0.17 0.00 0.77 0.00 0.00 66.41 66.66 2a7o h THR 61 Cb 0.91 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2a7o h THR 61 CO 0.08 0.21 -0.66 -0.74 0.37 0.00 0.00 175.52 174.78 2a7o h HIS 62 N 1.14 0.50 -0.06 3.16 -0.00 -0.78 -2.32 115.15 116.79 2a7o h HIS 62 Ca 0.36 -0.20 -0.23 0.00 -0.00 0.00 0.00 60.37 60.30 2a7o h HIS 62 Cb 0.01 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 27.35 2a7o h HIS 62 CO -0.01 0.93 -0.90 0.78 -0.00 0.00 0.00 177.93 178.73 2a7o h GLY 63 N 1.31 0.70 1.10 5.26 0.00 -0.53 -1.74 103.07 109.17 2a7o h GLY 63 Ca -0.02 -1.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.09 2a7o h GLY 63 CO 0.11 0.99 -0.09 -2.08 0.00 0.00 0.00 176.54 175.48 2a7o h VAL 64 N 0.39 1.27 -0.14 4.60 2.07 -1.34 -0.82 116.25 122.28 2a7o h VAL 64 Ca -0.08 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.21 2a7o h VAL 64 Cb 1.53 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 2a7o h VAL 64 CO 0.17 0.45 -0.02 -0.03 0.02 0.00 0.00 177.57 178.16 2a7o h MET 65 N 0.94 0.02 -0.57 1.57 -1.53 -1.38 0.12 114.93 114.11 2a7o h MET 65 Ca 0.15 -0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.30 2a7o h MET 65 Cb 0.66 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.68 2a7o h MET 65 CO 0.05 0.02 -0.06 -0.91 0.14 0.00 0.00 176.91 176.14 2a7o h ASN 66 N 0.03 1.03 -0.55 1.39 2.35 -1.18 0.22 115.58 118.86 2a7o h ASN 66 Ca 0.07 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.46 2a7o h ASN 66 Cb 0.09 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2a7o h ASN 66 CO -0.13 1.11 0.20 0.50 -1.65 0.00 0.00 177.43 177.46 2a7o h LYS 67 N 0.93 0.84 -0.03 0.81 3.64 -0.50 0.45 116.57 122.71 2a7o h LYS 67 Ca 0.15 -0.17 -0.23 0.00 -1.27 0.00 0.00 60.65 59.13 2a7o h LYS 67 Cb 0.63 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2a7o h LYS 67 CO 0.04 0.75 -0.92 1.05 -2.27 0.00 0.00 179.45 178.10 2a7o h GLU 68 N 0.76 0.57 0.00 1.90 4.11 -0.88 -1.10 114.58 119.93 2a7o h GLU 68 Ca 0.18 -0.56 -0.00 0.00 0.07 0.00 0.00 59.36 59.05 2a7o h GLU 68 Cb 0.24 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2a7o h GLU 68 CO -0.01 1.19 -0.01 -0.07 0.07 0.00 0.00 179.01 180.18 2a7o h LEU 69 N 0.34 0.00 0.00 3.06 3.38 -0.72 0.79 115.31 122.16 2a7o h LEU 69 Ca -0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 2a7o h LEU 69 Cb 1.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 2a7o h LEU 69 CO 0.17 0.01 -0.99 0.07 0.09 0.00 0.00 178.44 177.79 2a7o h LYS 70 N 0.00 0.00 -0.01 1.13 2.10 -0.56 -1.61 116.57 117.62 2a7o h LYS 70 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2a7o h LYS 70 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 2a7o h LYS 70 CO 0.00 0.67 -0.47 0.66 -2.00 0.00 0.00 179.45 178.31 2a7o n TYR 71 N -3.20 0.00 -0.05 0.07 4.01 -0.45 -4.25 117.16 113.29 2a7o n TYR 71 Ca -0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.69 2a7o n TYR 71 Cb 0.87 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.79 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 -2.33 0.00 -4.31 0.00 4.76 -0.61 -4.82 118.16 110.86 2a7o n LYS 73 Ca -0.15 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.94 2a7o n LYS 73 Cb 0.75 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.84 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 0.00 5.31 0.00 4.39 0.01 -1.26 -4.90 114.94 118.48 2a7o s ASN 74 Ca 0.00 0.13 0.10 0.00 -0.71 0.00 0.00 52.86 52.38 2a7o s ASN 74 Cb 0.00 -1.60 0.59 0.00 0.41 0.00 0.00 41.25 40.65 2a7o s ASN 74 CO 0.00 0.34 1.12 -0.81 -1.51 0.00 0.00 177.10 176.24 2a7o n PRO 75 N 2.42 0.66 0.00 -0.60 -0.04 -1.26 -2.87 135.00 133.31 2a7o n PRO 75 Ca -0.18 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.37 2a7o n PRO 75 Cb 0.53 -1.23 0.51 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.73 0.39 -0.03 0.54 2.13 -1.26 -1.47 120.64 120.20 2a7o n GLU 76 Ca 0.07 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2a7o n GLU 76 Cb 0.03 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.25 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 -1.18 0.69 -4.39 4.31 2.03 -1.14 -4.96 116.55 111.92 2a7o n ASP 77 Ca 0.11 -1.41 -0.44 0.00 0.52 0.00 0.00 54.79 53.56 2a7o n ASP 77 Cb 0.12 -0.02 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.39 5.28 -0.05 -2.67 2.96 -0.54 -4.98 118.68 118.29 2a7o s LEU 78 Ca 0.01 -1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 52.46 2a7o s LEU 78 Cb 0.01 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.39 2a7o s LEU 78 CO 0.00 -1.10 0.29 -0.70 -1.32 0.00 0.00 176.35 173.52 2a7o s GLU 79 N 2.75 0.54 -1.44 1.98 2.56 -1.26 -4.85 118.70 118.98 2a7o s GLU 79 Ca 0.13 -0.01 -0.14 0.00 0.00 0.00 0.00 54.97 54.95 2a7o s GLU 79 Cb -0.23 0.24 0.05 0.00 2.00 0.00 0.00 34.13 36.19 2a7o s GLU 79 CO 0.07 -0.13 2.17 0.00 -0.56 0.00 0.00 175.26 176.82 2a7o n ASN 81 N 6.14 0.72 0.11 0.00 0.23 -1.26 -4.86 115.26 116.34 2a7o n ASN 81 Ca 0.51 -1.43 -0.13 0.00 -0.53 0.00 0.00 54.58 53.00 2a7o n ASN 81 Cb 0.39 -0.10 -0.07 0.00 -2.08 0.00 0.00 39.78 37.93 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 -0.27 -0.32 -3.83 4.39 -1.98 0.44 114.58 113.01 2a7o h GLU 82 Ca -0.08 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.71 2a7o h GLU 82 Cb 0.34 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 2a7o h GLU 82 CO 0.11 -0.18 -0.15 -0.97 -1.16 0.00 0.00 179.01 176.66 2a7o h ASN 83 N -0.28 -0.51 -0.53 1.42 -1.24 -1.95 0.32 115.58 112.81 2a7o h ASN 83 Ca -0.00 0.12 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 2a7o h ASN 83 Cb 0.26 0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.56 2a7o h ASN 83 CO -0.02 -0.19 0.23 0.58 -1.29 0.00 0.00 177.43 176.75 2a7o h VAL 84 N -0.10 1.21 -0.16 2.57 2.07 -1.67 -1.07 116.25 119.10 2a7o h VAL 84 Ca 0.16 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.08 2a7o h VAL 84 Cb 0.35 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2a7o h VAL 84 CO -0.39 0.24 0.02 0.11 0.02 0.00 0.00 177.57 177.58 2a7o h LYS 85 N 0.71 0.08 -0.18 1.57 1.57 0.43 -0.12 116.57 120.63 2a7o h LYS 85 Ca 0.18 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.01 2a7o h LYS 85 Cb 0.16 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 2a7o h LYS 85 CO -0.02 0.05 -0.26 1.25 -0.57 0.00 0.00 179.45 179.90 2a7o h HIS 86 N 0.08 -0.71 -0.92 -1.35 2.76 -0.03 0.12 115.15 115.10 2a7o h HIS 86 Ca 0.07 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2a7o h HIS 86 Cb 0.07 0.34 -0.06 0.00 1.55 0.00 0.00 27.41 29.31 2a7o h HIS 86 CO -0.14 -0.34 0.60 -0.22 -1.30 0.00 0.00 177.93 176.53 2a7o h LYS 87 N -0.30 1.03 0.18 5.26 3.64 -0.94 -1.62 116.57 123.81 2a7o h LYS 87 Ca 0.12 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2a7o h LYS 87 Cb 0.48 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2a7o h LYS 87 CO -0.36 0.68 -0.09 1.15 -2.27 0.00 0.00 179.45 178.57 2a7o h THR 88 N 1.06 0.00 -0.30 1.00 2.02 0.67 0.19 112.91 117.55 2a7o h THR 88 Ca 0.40 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 2a7o h THR 88 Cb 0.19 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 2a7o h THR 88 CO -0.15 0.00 0.11 0.07 0.37 0.00 0.00 175.52 175.92 2a7o h LYS 89 N -1.06 0.42 -0.50 6.66 5.09 -0.80 0.51 116.57 126.88 2a7o h LYS 89 Ca -0.02 -0.05 -0.12 0.00 0.09 0.00 0.00 60.65 60.54 2a7o h LYS 89 Cb 0.19 -0.08 -0.02 0.00 0.10 0.00 0.00 32.23 32.42 2a7o h LYS 89 CO 0.04 0.36 -0.17 0.93 -2.09 0.00 0.00 179.45 178.53 2a7o h GLU 90 N 0.42 0.99 -0.06 0.07 4.39 -1.36 -1.53 114.58 117.50 2a7o h GLU 90 Ca 0.10 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.40 2a7o h GLU 90 Cb 0.11 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2a7o h GLU 90 CO -0.01 1.07 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.99 2a7o h TYR 91 N 0.87 0.12 -0.20 4.33 3.20 0.11 -1.70 116.97 123.69 2a7o h TYR 91 Ca 0.12 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.03 2a7o h TYR 91 Cb 0.74 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 2a7o h TYR 91 CO 0.05 0.41 -0.33 0.82 -1.64 0.00 0.00 178.16 177.47 2a7o h ILE 92 N -0.21 0.26 -0.04 1.81 1.08 -0.05 0.54 117.51 120.91 2a7o h ILE 92 Ca 0.02 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 2a7o h ILE 92 Cb 0.37 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 2a7o h ILE 92 CO 0.00 0.00 -0.16 0.11 -0.69 0.00 0.00 178.15 177.42 2a7o h LYS 93 N -0.36 -0.23 -0.22 2.37 1.57 -1.22 0.20 116.57 118.67 2a7o h LYS 93 Ca 0.11 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2a7o h LYS 93 Cb 0.55 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2a7o h LYS 93 CO -0.40 -0.16 -0.11 -0.22 -0.57 0.00 0.00 179.45 177.99 2a7o h LYS 94 N -0.24 0.35 0.22 3.15 3.64 -0.58 -1.04 116.57 122.08 2a7o h LYS 94 Ca 0.06 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2a7o h LYS 94 Cb 0.33 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2a7o h LYS 94 CO -0.18 0.47 -0.11 -0.92 -2.27 0.00 0.00 179.45 176.44 2a7o h TYR 95 N 0.33 -0.28 0.00 1.91 3.20 0.78 -3.00 116.97 119.91 2a7o h TYR 95 Ca 0.07 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2a7o h TYR 95 Cb 0.40 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.76 2a7o h TYR 95 CO 0.01 0.03 0.00 0.52 -1.64 0.00 0.00 178.16 177.08 2a7o h MET 96 N -0.58 0.00 0.00 1.82 2.86 0.44 -1.67 114.93 117.79 2a7o h MET 96 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2a7o h MET 96 Cb 0.43 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 2a7o h MET 96 CO 0.05 0.00 -0.04 1.96 1.06 0.00 0.00 176.91 179.94 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.08 -1.92 115.11 114.90 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 0.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2a7o h GLN 97 CO 0.00 0.04 0.00 1.57 -0.95 0.00 0.00 178.83 179.49 2a7o h LYS 98 N 0.00 0.00 -0.01 1.46 5.09 -1.40 -3.01 116.57 118.70 2a7o h LYS 98 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 60.65 60.56 2a7o h LYS 98 Cb 0.17 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.48 2a7o h LYS 98 CO 0.01 0.00 -0.80 0.74 -2.09 0.00 0.00 179.45 177.31 2a7o h PHE 99 N 0.00 0.17 0.00 0.07 0.04 -1.51 -3.49 116.94 112.22 2a7o h PHE 99 Ca 0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2a7o h PHE 99 Cb 0.86 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.99 2a7o h PHE 99 CO 0.00 0.87 0.00 0.41 -0.60 0.00 0.00 178.31 178.99 2a7o n GLY 100 N 0.72 0.96 0.12 -1.45 0.00 -1.14 -4.26 105.19 100.13 2a7o n GLY 100 Ca -0.02 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 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 0.10 -3.23 4.61 0.00 -1.91 0.48 119.26 119.32 2a7o h ALA 101 Ca 0.00 -0.98 -0.65 0.00 0.00 0.00 0.00 54.91 53.29 2a7o h ALA 101 Cb 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 18.01 2a7o h ALA 101 CO 0.00 0.69 -0.76 0.08 0.00 0.00 0.00 179.25 179.26 2a7o s VAL 102 N -2.46 2.92 -0.64 0.00 1.01 -1.26 -0.56 120.40 119.42 2a7o s VAL 102 Ca -0.18 -1.70 -0.25 0.00 0.00 0.00 0.00 61.98 59.85 2a7o s VAL 102 Cb 0.03 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 34.05 2a7o s VAL 102 CO 0.78 -0.06 1.05 -0.47 0.00 0.00 0.00 175.10 176.40 2a7o s TYR 103 N -1.56 2.61 -0.58 5.22 5.04 0.47 -4.55 117.35 124.01 2a7o s TYR 103 Ca 0.22 -0.18 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 2a7o s TYR 103 Cb -0.09 -4.32 0.15 0.00 0.35 0.00 0.00 41.96 38.05 2a7o s TYR 103 CO 0.13 -1.65 0.36 -1.59 -1.34 0.00 0.00 175.55 171.46 2a7o s LYS 104 N 4.50 2.32 0.53 4.97 -2.85 -1.26 -4.53 119.74 123.41 2a7o s LYS 104 Ca 0.29 -2.57 0.22 0.00 -1.00 0.00 0.00 55.97 52.91 2a7o s LYS 104 Cb -0.13 -3.56 1.43 0.00 -2.06 0.00 0.00 37.83 33.52 2a7o s LYS 104 CO 0.15 -1.15 2.15 -1.00 0.10 0.00 0.00 175.35 175.61 2a7o h PRO 105 N 6.81 0.00 -0.01 1.78 0.13 -1.99 -0.14 132.00 138.58 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 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 2a7o h PRO 105 CO 0.70 0.05 0.07 1.57 -0.23 0.00 0.00 178.00 180.15 2a7o h LYS 106 N 0.00 0.00 -0.34 0.86 2.10 -2.03 -0.46 116.57 116.70 2a7o h LYS 106 Ca -0.00 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 2a7o h LYS 106 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 2a7o h LYS 106 CO 0.01 0.00 0.02 0.39 -2.00 0.00 0.00 179.45 177.86 2a7o n GLU 107 N -3.10 3.04 -0.80 0.07 -0.58 -0.07 -5.02 120.64 114.18 2a7o n GLU 107 Ca -0.03 -2.94 -0.29 0.00 -0.42 0.00 0.00 57.16 53.49 2a7o n GLU 107 Cb 0.14 -1.91 0.23 0.00 -0.57 0.00 0.00 31.44 29.32 2a7o n GLU 107 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2a7o s ASP 108 N -1.83 1.19 0.00 1.62 -4.77 -0.18 -4.94 116.67 107.75 2a7o s ASP 108 Ca 0.45 1.19 0.16 0.00 -3.30 0.00 0.00 52.55 51.04 2a7o s ASP 108 Cb 0.37 -1.83 0.94 0.00 -1.09 0.00 0.00 42.92 41.31 2a7o s ASP 108 CO 0.09 -4.03 1.35 1.07 0.70 0.00 0.00 175.17 174.35