#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 0.32 -0.03 3.42 7.64 -1.26 0.17 113.62 123.88 2a7o n SER 11 Ca 0.00 -0.89 -0.21 0.00 1.01 0.00 0.00 58.87 58.78 2a7o n SER 11 Cb 0.00 -0.05 -0.13 0.00 -1.01 0.00 0.00 64.21 63.02 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 0.47 0.26 0.12 6.43 4.64 -1.99 -3.32 113.55 120.15 2a7o h SER 12 Ca 0.00 -0.78 -0.16 0.00 -0.47 0.00 0.00 61.79 60.38 2a7o h SER 12 Cb 0.18 -0.08 0.02 0.00 -0.31 0.00 0.00 62.40 62.20 2a7o h SER 12 CO 0.00 1.60 -0.73 1.05 -0.87 0.00 0.00 176.83 177.89 2a7o h GLU 13 N -0.46 0.25 -0.91 4.77 4.11 -1.88 -2.71 114.58 117.75 2a7o h GLU 13 Ca -0.33 -0.43 0.05 0.00 0.07 0.00 0.00 59.36 58.73 2a7o h GLU 13 Cb 1.65 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 31.00 2a7o h GLU 13 CO -0.02 1.20 0.59 1.25 0.07 0.00 0.00 179.01 182.11 2a7o h LEU 14 N -0.47 0.94 0.00 3.06 5.85 -0.51 -0.62 115.31 123.55 2a7o h LEU 14 Ca -0.13 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2a7o h LEU 14 Cb 1.55 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2a7o h LEU 14 CO 0.12 0.62 -0.26 0.00 -0.34 0.00 0.00 178.44 178.58 2a7o n ALA 15 N -2.39 2.80 0.09 1.25 0.00 -1.25 -1.91 120.51 119.10 2a7o n ALA 15 Ca 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.36 2a7o n ALA 15 Cb 0.16 -1.31 0.23 0.00 0.00 0.00 0.00 19.45 18.53 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 0.26 0.04 0.00 3.64 -0.76 0.59 116.57 120.34 2a7o h LYS 16 Ca 0.00 -0.12 -0.26 0.00 -1.27 0.00 0.00 60.65 59.00 2a7o h LYS 16 Cb 0.57 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2a7o h LYS 16 CO 0.00 0.61 -1.07 0.87 -2.27 0.00 0.00 179.45 177.59 2a7o h LYS 17 N 0.22 0.52 -0.04 1.90 6.56 -1.42 -3.11 116.57 121.21 2a7o h LYS 17 Ca 0.02 -0.62 -0.06 0.00 -1.06 0.00 0.00 60.65 58.93 2a7o h LYS 17 Cb 0.78 0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 32.63 2a7o h LYS 17 CO 0.06 1.24 -0.24 0.77 -2.06 0.00 0.00 179.45 179.22 2a7o h SER 18 N 0.27 0.06 0.46 0.86 0.02 -0.64 -0.37 113.55 114.21 2a7o h SER 18 Ca -0.12 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 2a7o h SER 18 Cb 1.73 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.26 2a7o h SER 18 CO 0.20 0.31 -0.22 0.11 -1.14 0.00 0.00 176.83 176.08 2a7o h LYS 19 N 0.06 -0.59 -0.54 3.45 1.79 0.19 0.34 116.57 121.27 2a7o h LYS 19 Ca 0.01 0.04 -0.10 0.00 -2.18 0.00 0.00 60.65 58.42 2a7o h LYS 19 Cb 0.46 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2a7o h LYS 19 CO 0.03 -0.37 -0.06 1.05 -1.08 0.00 0.00 179.45 179.02 2a7o h GLU 20 N -0.66 0.98 -0.17 3.15 4.11 -1.43 0.30 114.58 120.86 2a7o h GLU 20 Ca -0.06 -0.33 -0.04 0.00 0.07 0.00 0.00 59.36 58.99 2a7o h GLU 20 Cb 0.50 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2a7o h GLU 20 CO 0.10 1.00 -0.06 0.28 0.07 0.00 0.00 179.01 180.41 2a7o h VAL 21 N 0.89 1.30 0.38 -1.06 2.07 -0.99 -0.71 116.25 118.12 2a7o h VAL 21 Ca 0.15 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2a7o h VAL 21 Cb 0.60 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2a7o h VAL 21 CO 0.04 0.32 -0.18 0.15 0.02 0.00 0.00 177.57 177.91 2a7o h PHE 22 N 0.04 -0.47 -0.54 1.57 3.57 -0.15 -0.88 116.94 120.07 2a7o h PHE 22 Ca 0.04 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2a7o h PHE 22 Cb 0.51 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.38 2a7o h PHE 22 CO 0.06 -0.28 0.36 0.07 -2.23 0.00 0.00 178.31 176.29 2a7o h ARG 23 N -0.52 0.44 -0.09 1.11 -0.00 -0.42 0.11 114.38 115.00 2a7o h ARG 23 Ca -0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.98 59.88 2a7o h ARG 23 Cb 0.40 -0.10 -0.00 0.00 -0.00 0.00 0.00 29.97 30.27 2a7o h ARG 23 CO 0.08 0.29 -0.03 -0.22 -0.00 0.00 0.00 179.97 180.10 2a7o h LYS 24 N 0.45 0.18 0.00 0.08 3.64 -0.46 0.16 116.57 120.62 2a7o h LYS 24 Ca 0.24 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.46 2a7o h LYS 24 Cb 0.36 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2a7o h LYS 24 CO -0.06 0.51 -0.42 1.05 -2.27 0.00 0.00 179.45 178.25 2a7o h GLU 25 N -0.15 0.00 0.10 1.90 4.11 -0.47 -1.06 114.58 119.01 2a7o h GLU 25 Ca 0.02 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.19 2a7o h GLU 25 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2a7o h GLU 25 CO 0.01 0.42 -1.16 1.98 0.07 0.00 0.00 179.01 180.34 2a7o h MET 26 N 0.00 0.29 -0.95 1.06 4.05 -0.75 -1.38 114.93 117.24 2a7o h MET 26 Ca -0.00 -0.44 -0.01 0.00 -0.28 0.00 0.00 59.70 58.97 2a7o h MET 26 Cb 0.87 0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 31.78 2a7o h MET 26 CO 0.06 1.18 0.57 0.77 0.23 0.00 0.00 176.91 179.71 2a7o h SER 27 N 0.10 1.15 -0.12 1.39 0.02 -0.22 0.39 113.55 116.27 2a7o h SER 27 Ca -0.12 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 2a7o h SER 27 Cb 1.86 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2a7o h SER 27 CO 0.19 0.88 -0.30 0.06 -1.14 0.00 0.00 176.83 176.52 2a7o h GLN 28 N 1.31 0.41 -0.36 3.45 3.07 -1.19 0.20 115.11 122.00 2a7o h GLN 28 Ca 0.34 -0.28 0.05 0.00 0.09 0.00 0.00 58.65 58.85 2a7o h GLN 28 Cb -0.05 0.04 -0.05 0.00 0.08 0.00 0.00 27.48 27.51 2a7o h GLN 28 CO -0.06 0.90 0.09 0.35 0.09 0.00 0.00 178.83 180.19 2a7o h PHE 29 N -0.01 0.15 -0.44 0.06 3.57 -1.02 0.17 116.94 119.42 2a7o h PHE 29 Ca -0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2a7o h PHE 29 Cb 0.91 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2a7o h PHE 29 CO 0.11 0.04 0.12 0.82 -2.23 0.00 0.00 178.31 177.17 2a7o h ILE 30 N 0.22 1.23 -0.65 1.41 2.04 -0.15 0.69 117.51 122.30 2a7o h ILE 30 Ca 0.17 -0.78 0.11 0.00 1.00 0.00 0.00 64.86 65.36 2a7o h ILE 30 Cb 0.18 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.08 2a7o h ILE 30 CO -0.21 0.28 0.23 0.58 0.00 0.00 0.00 178.15 179.03 2a7o h VAL 31 N 0.58 0.71 -0.84 1.67 2.07 -0.20 0.31 116.25 120.55 2a7o h VAL 31 Ca 0.14 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2a7o h VAL 31 Cb 0.30 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2a7o h VAL 31 CO -0.00 0.07 0.54 -0.61 0.02 0.00 0.00 177.57 177.59 2a7o h GLN 32 N 0.39 1.11 -0.61 1.57 4.15 -0.12 0.14 115.11 121.74 2a7o h GLN 32 Ca 0.34 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.60 2a7o h GLN 32 Cb 0.46 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2a7o h GLN 32 CO -0.35 0.75 0.03 0.00 -1.93 0.00 0.00 178.83 177.32 2a7o h LEU 34 N 0.96 0.00 -0.93 0.00 3.38 0.15 -3.36 115.31 115.51 2a7o h LEU 34 Ca 0.18 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.30 2a7o h LEU 34 Cb 0.51 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.10 2a7o h LEU 34 CO 0.02 0.16 -0.33 0.59 0.09 0.00 0.00 178.44 178.97 2a7o n ASN 35 N -3.11 -0.53 0.24 -0.43 3.02 0.42 -0.72 115.26 114.15 2a7o n ASN 35 Ca 0.03 1.62 0.16 0.00 -0.03 0.00 0.00 54.58 56.36 2a7o n ASN 35 Cb 0.60 -0.40 0.72 0.00 -0.61 0.00 0.00 39.78 40.08 2a7o n ASN 35 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2a7o h PRO 36 N 0.00 0.00 0.00 3.52 0.13 -1.76 -2.85 132.00 131.04 2a7o h PRO 36 Ca 0.36 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.31 2a7o h PRO 36 Cb 0.59 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.69 2a7o h PRO 36 CO -0.93 0.00 -1.04 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 -1.16 -3.20 116.97 112.18 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 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 2a7o h TYR 37 CO 0.00 0.71 -0.11 2.89 -0.00 0.00 0.00 178.16 181.64 2a7o n ARG 38 N -3.14 0.81 -2.32 4.88 1.85 -0.90 0.04 116.66 117.89 2a7o n ARG 38 Ca -0.04 -0.32 -0.41 0.00 -1.00 0.00 0.00 57.85 56.08 2a7o n ARG 38 Cb 0.86 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.74 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 -2.41 4.49 0.44 2.89 -0.14 -1.21 -4.69 119.74 119.12 2a7o s LYS 39 Ca 0.30 1.97 0.30 0.00 -1.36 0.00 0.00 55.97 57.18 2a7o s LYS 39 Cb 0.20 -3.17 1.52 0.00 -1.68 0.00 0.00 37.83 34.71 2a7o s LYS 39 CO 0.46 -0.03 1.91 -1.00 -0.76 0.00 0.00 175.35 175.94 2a7o h PRO 40 N 4.19 0.00 -0.09 -1.68 0.13 -1.90 -0.79 132.00 131.86 2a7o h PRO 40 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2a7o h PRO 40 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2a7o h PRO 40 CO 0.69 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 2a7o n ASP 41 N -2.59 1.78 -4.71 1.44 5.75 -1.26 -4.88 116.55 112.08 2a7o n ASP 41 Ca -0.01 -1.64 -0.42 0.00 -0.01 0.00 0.00 54.79 52.71 2a7o n ASP 41 Cb 0.12 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.13 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a7o n LYS 43 N 4.15 0.66 -3.97 0.00 5.02 -1.26 -4.59 118.16 118.16 2a7o n LYS 43 Ca 0.13 0.10 -0.30 0.00 -2.02 0.00 0.00 58.31 56.22 2a7o n LYS 43 Cb 0.41 -1.66 -0.16 0.00 -0.02 0.00 0.00 35.03 33.60 2a7o n LYS 43 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2a7o s VAL 44 N -2.75 1.49 -0.64 -0.18 1.01 -1.26 -3.91 120.40 114.17 2a7o s VAL 44 Ca -0.07 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 2a7o s VAL 44 Cb 0.08 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.91 2a7o s VAL 44 CO 0.83 0.23 0.55 0.61 0.00 0.00 0.00 175.10 177.32 2a7o n GLY 45 N 4.75 0.17 3.67 4.51 0.00 0.96 -4.89 105.19 114.36 2a7o n GLY 45 Ca -0.14 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -5.35 4.21 -0.16 1.61 3.52 -0.19 -4.36 118.95 118.23 2a7o s ARG 46 Ca 0.20 2.05 -0.29 0.00 -0.13 0.00 0.00 55.73 57.56 2a7o s ARG 46 Cb -0.09 -3.86 -0.01 0.00 -1.56 0.00 0.00 34.95 29.43 2a7o s ARG 46 CO 0.36 -0.77 1.24 0.42 -0.81 0.00 0.00 175.30 175.73 2a7o s ILE 47 N 3.61 4.31 0.04 4.11 1.01 0.11 0.19 121.20 134.57 2a7o s ILE 47 Ca 0.68 1.60 -0.32 0.00 0.00 0.00 0.00 60.65 62.60 2a7o s ILE 47 Cb -0.31 -4.03 -0.18 0.00 0.01 0.00 0.00 42.46 37.95 2a7o s ILE 47 CO 0.26 -0.12 1.39 0.71 0.00 0.00 0.00 174.94 177.17 2a7o h THR 48 N 5.43 0.10 -3.51 2.92 1.35 -1.88 -3.41 112.91 113.91 2a7o h THR 48 Ca -0.27 -0.15 -0.30 0.00 -0.55 0.00 0.00 66.41 65.14 2a7o h THR 48 Cb 1.11 0.12 -0.15 0.00 -1.73 0.00 0.00 68.15 67.50 2a7o h THR 48 CO 0.96 0.01 -0.70 -0.89 -0.25 0.00 0.00 175.52 174.64 2a7o s THR 49 N -5.43 1.02 0.25 6.82 2.01 -1.26 -5.03 115.64 114.02 2a7o s THR 49 Ca -0.17 -2.03 -0.04 0.00 0.31 0.00 0.00 61.69 59.76 2a7o s THR 49 Cb 0.02 -1.86 0.25 0.00 0.01 0.00 0.00 72.50 70.92 2a7o s THR 49 CO 0.53 -0.73 1.88 0.00 -0.69 0.00 0.00 174.62 175.62 2a7o h THR 50 N 2.80 1.12 -0.92 -0.82 1.03 -1.98 0.17 112.91 114.30 2a7o h THR 50 Ca -0.36 -0.40 0.07 0.00 -0.01 0.00 0.00 66.41 65.71 2a7o h THR 50 Cb 1.19 -0.14 -0.06 0.00 -1.07 0.00 0.00 68.15 68.07 2a7o h THR 50 CO 0.64 0.21 0.60 -0.33 -0.01 0.00 0.00 175.52 176.63 2a7o h GLU 51 N 1.16 1.00 -0.10 0.00 3.07 -1.98 0.24 114.58 117.96 2a7o h GLU 51 Ca 0.40 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 59.04 2a7o h GLU 51 Cb 0.08 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 27.78 2a7o h GLU 51 CO -0.15 0.66 -0.55 -0.44 -1.40 0.00 0.00 179.01 177.13 2a7o h ASP 52 N 1.03 0.66 -0.26 1.42 3.32 -1.61 -0.22 116.42 120.76 2a7o h ASP 52 Ca 0.40 -0.65 0.04 0.00 0.02 0.00 0.00 57.03 56.85 2a7o h ASP 52 Cb 0.24 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 2a7o h ASP 52 CO -0.16 1.20 0.03 0.15 -1.72 0.00 0.00 179.24 178.74 2a7o h PHE 53 N 0.17 0.04 -0.56 4.55 3.57 -0.11 0.13 116.94 124.73 2a7o h PHE 53 Ca -0.04 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 2a7o h PHE 53 Cb 1.19 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 2a7o h PHE 53 CO 0.11 -0.01 -0.02 0.87 -2.23 0.00 0.00 178.31 177.04 2a7o h LYS 54 N 0.12 0.98 -0.25 1.11 1.57 -0.48 0.19 116.57 119.81 2a7o h LYS 54 Ca 0.12 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2a7o h LYS 54 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2a7o h LYS 54 CO -0.18 0.98 0.11 1.25 -0.57 0.00 0.00 179.45 181.04 2a7o h HIS 55 N 0.90 0.38 -0.09 -1.35 2.76 -0.50 -0.96 115.15 116.28 2a7o h HIS 55 Ca 0.16 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 2a7o h HIS 55 Cb 0.55 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 2a7o h HIS 55 CO 0.04 0.37 -0.06 1.25 -1.30 0.00 0.00 177.93 178.22 2a7o h LEU 56 N 0.27 0.22 -0.97 0.26 6.46 -0.61 -1.50 115.31 119.44 2a7o h LEU 56 Ca 0.09 -0.44 0.10 0.00 -0.12 0.00 0.00 57.88 57.50 2a7o h LEU 56 Cb 0.15 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 39.94 2a7o h LEU 56 CO -0.01 0.61 0.61 0.00 -0.62 0.00 0.00 178.44 179.03 2a7o h ALA 57 N 0.61 1.42 -0.20 1.25 0.00 -0.47 0.90 119.26 122.78 2a7o h ALA 57 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2a7o h ALA 57 Cb 0.54 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2a7o h ALA 57 CO 0.02 0.26 -0.18 0.07 0.00 0.00 0.00 179.25 179.41 2a7o h ARG 58 N 1.01 0.48 -0.25 0.00 0.11 -1.14 -1.34 114.38 113.24 2a7o h ARG 58 Ca 0.46 -0.25 0.03 0.00 0.10 0.00 0.00 59.98 60.33 2a7o h ARG 58 Cb 0.39 0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.44 2a7o h ARG 58 CO -0.24 0.82 0.07 -0.22 0.10 0.00 0.00 179.97 180.50 2a7o h LYS 59 N 0.15 0.17 -0.54 0.08 3.64 -0.23 -0.93 116.57 118.91 2a7o h LYS 59 Ca 0.03 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 2a7o h LYS 59 Cb 0.72 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2a7o h LYS 59 CO 0.05 0.11 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.15 2a7o h LEU 60 N 0.17 1.04 -0.69 5.20 3.38 -0.83 0.16 115.31 123.75 2a7o h LEU 60 Ca 0.11 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.78 2a7o h LEU 60 Cb 0.09 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2a7o h LEU 60 CO -0.13 1.16 0.40 0.74 0.09 0.00 0.00 178.44 180.70 2a7o h THR 61 N 0.91 1.00 -0.20 0.22 2.02 -1.00 -1.81 112.91 114.06 2a7o h THR 61 Ca 0.14 -0.26 -0.17 0.00 0.77 0.00 0.00 66.41 66.89 2a7o h THR 61 Cb 0.70 0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2a7o h THR 61 CO 0.05 0.14 -0.58 -0.74 0.37 0.00 0.00 175.52 174.76 2a7o h HIS 62 N 0.75 0.79 -0.19 3.16 -0.00 -0.42 -2.53 115.15 116.71 2a7o h HIS 62 Ca 0.30 -0.29 -0.21 0.00 -0.00 0.00 0.00 60.37 60.17 2a7o h HIS 62 Cb 0.14 -0.15 0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2a7o h HIS 62 CO -0.07 1.05 -0.69 0.78 -0.00 0.00 0.00 177.93 179.01 2a7o h GLY 63 N 0.97 0.87 1.12 5.26 0.00 -0.29 -0.08 103.07 110.92 2a7o h GLY 63 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 47.33 46.07 2a7o h GLY 63 CO 0.11 1.05 0.02 -2.08 0.00 0.00 0.00 176.54 175.64 2a7o h VAL 64 N 0.54 1.26 0.17 4.60 2.07 -1.36 0.55 116.25 124.08 2a7o h VAL 64 Ca -0.03 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2a7o h VAL 64 Cb 1.31 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2a7o h VAL 64 CO 0.15 0.41 -0.08 -0.03 0.02 0.00 0.00 177.57 178.03 2a7o h MET 65 N 0.98 -0.22 -0.39 1.57 -1.53 -1.38 -0.24 114.93 113.71 2a7o h MET 65 Ca 0.18 0.02 -0.13 0.00 -3.44 0.00 0.00 59.70 56.33 2a7o h MET 65 Cb 0.53 0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.61 2a7o h MET 65 CO 0.03 -0.14 -0.26 -0.91 0.14 0.00 0.00 176.91 175.77 2a7o h ASN 66 N -0.24 0.85 -0.35 1.39 2.35 -0.83 0.67 115.58 119.41 2a7o h ASN 66 Ca -0.02 -0.33 -0.03 0.00 -0.55 0.00 0.00 56.30 55.37 2a7o h ASN 66 Cb 0.19 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2a7o h ASN 66 CO 0.04 1.06 0.11 0.50 -1.65 0.00 0.00 177.43 177.49 2a7o h LYS 67 N 0.71 0.54 -0.09 0.81 3.64 -0.58 -0.24 116.57 121.36 2a7o h LYS 67 Ca 0.09 -0.12 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 2a7o h LYS 67 Cb 0.80 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2a7o h LYS 67 CO 0.07 0.57 -0.79 1.05 -2.27 0.00 0.00 179.45 178.07 2a7o h GLU 68 N 0.41 0.58 -0.20 1.90 4.11 -0.92 -1.62 114.58 118.84 2a7o h GLU 68 Ca 0.11 -0.49 0.06 0.00 0.07 0.00 0.00 59.36 59.11 2a7o h GLU 68 Cb 0.25 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2a7o h GLU 68 CO -0.00 1.12 0.17 -0.07 0.07 0.00 0.00 179.01 180.29 2a7o h LEU 69 N 0.38 0.00 0.08 3.06 3.38 -0.65 0.75 115.31 122.32 2a7o h LEU 69 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2a7o h LEU 69 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2a7o h LEU 69 CO 0.15 0.00 -0.04 0.11 0.09 0.00 0.00 178.44 178.75 2a7o h LYS 70 N 0.00 -0.10 0.00 1.13 1.57 -0.43 0.41 116.57 119.15 2a7o h LYS 70 Ca 0.09 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 2a7o h LYS 70 Cb 0.43 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2a7o h LYS 70 CO -0.00 0.39 -0.50 1.88 -0.57 0.00 0.00 179.45 180.65 2a7o h TYR 71 N -0.66 0.00 0.10 -1.35 0.05 -0.35 -3.22 116.97 111.54 2a7o h TYR 71 Ca -0.01 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.41 2a7o h TYR 71 Cb 0.54 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 2a7o h TYR 71 CO 0.10 0.50 -2.02 0.00 -1.05 0.00 0.00 178.16 175.69 2a7o n LYS 73 N -3.53 0.00 -4.41 0.00 4.76 0.13 -4.84 118.16 110.28 2a7o n LYS 73 Ca -0.34 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.77 2a7o n LYS 73 Cb 1.02 -0.53 -0.15 0.00 -1.84 0.00 0.00 35.03 33.52 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 3.59 0.00 4.39 0.01 -1.26 -5.00 114.94 116.67 2a7o s ASN 74 Ca 0.00 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 2a7o s ASN 74 Cb 0.00 -1.56 0.00 0.00 0.41 0.00 0.00 41.25 40.10 2a7o s ASN 74 CO 0.00 0.06 0.52 -0.81 -1.51 0.00 0.00 177.10 175.36 2a7o n PRO 75 N 4.23 0.56 0.00 -0.60 -0.04 -1.26 -2.70 135.00 135.19 2a7o n PRO 75 Ca -0.19 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.39 2a7o n PRO 75 Cb 0.51 -1.04 0.67 0.00 -0.04 0.00 0.00 33.50 33.60 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 -0.39 0.58 0.00 0.54 4.07 -1.26 -1.39 120.64 122.79 2a7o n GLU 76 Ca 0.00 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2a7o n GLU 76 Cb 0.02 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 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 -1.13 1.40 -4.38 4.31 2.03 -1.10 -4.93 116.55 112.75 2a7o n ASP 77 Ca 0.15 -1.55 -0.45 0.00 0.52 0.00 0.00 54.79 53.47 2a7o n ASP 77 Cb 0.13 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.48 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 -0.55 5.47 -0.04 -2.67 2.96 -0.48 -4.98 118.68 118.39 2a7o s LEU 78 Ca 0.00 -1.37 -0.09 0.00 -0.22 0.00 0.00 54.13 52.45 2a7o s LEU 78 Cb 0.00 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.40 2a7o s LEU 78 CO 0.00 -0.96 0.21 -0.70 -1.32 0.00 0.00 176.35 173.57 2a7o s GLU 79 N 2.35 0.43 -1.37 1.98 2.56 -1.26 -4.85 118.70 118.54 2a7o s GLU 79 Ca 0.10 -0.07 -0.12 0.00 0.00 0.00 0.00 54.97 54.88 2a7o s GLU 79 Cb -0.24 0.19 0.10 0.00 2.00 0.00 0.00 34.13 36.18 2a7o s GLU 79 CO 0.07 -0.09 2.02 0.00 -0.56 0.00 0.00 175.26 176.69 2a7o n ASN 81 N 5.35 0.66 0.04 0.00 0.23 -1.26 -4.81 115.26 115.47 2a7o n ASN 81 Ca 0.46 -1.50 -0.10 0.00 -0.53 0.00 0.00 54.58 52.91 2a7o n ASN 81 Cb 0.39 -0.19 -0.04 0.00 -2.08 0.00 0.00 39.78 37.86 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 -0.21 -0.17 -3.83 4.39 -1.98 0.51 114.58 113.29 2a7o h GLU 82 Ca -0.11 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.65 2a7o h GLU 82 Cb 0.45 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 2a7o h GLU 82 CO 0.14 -0.14 -0.13 -0.91 -1.16 0.00 0.00 179.01 176.80 2a7o h ASN 83 N -0.22 -0.43 -0.51 1.42 4.21 -1.95 0.32 115.58 118.42 2a7o h ASN 83 Ca 0.06 0.09 -0.01 0.00 1.21 0.00 0.00 56.30 57.65 2a7o h ASN 83 Cb 0.31 0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 2a7o h ASN 83 CO -0.17 -0.17 0.26 0.58 -1.29 0.00 0.00 177.43 176.64 2a7o h VAL 84 N -0.14 1.19 -0.28 2.81 2.07 -1.65 -0.45 116.25 119.79 2a7o h VAL 84 Ca 0.11 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.16 2a7o h VAL 84 Cb 0.30 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2a7o h VAL 84 CO -0.26 0.20 0.05 0.11 0.02 0.00 0.00 177.57 177.70 2a7o h LYS 85 N 0.68 0.15 -0.19 1.57 1.57 0.49 0.34 116.57 121.19 2a7o h LYS 85 Ca 0.18 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2a7o h LYS 85 Cb 0.09 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 2a7o h LYS 85 CO -0.03 0.10 -0.13 1.25 -0.57 0.00 0.00 179.45 180.07 2a7o h HIS 86 N 0.15 -0.33 -0.99 -1.35 2.76 0.12 0.13 115.15 115.65 2a7o h HIS 86 Ca 0.13 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 2a7o h HIS 86 Cb 0.14 0.17 -0.06 0.00 1.55 0.00 0.00 27.41 29.21 2a7o h HIS 86 CO -0.17 -0.20 0.64 0.87 -1.30 0.00 0.00 177.93 177.78 2a7o h LYS 87 N -0.13 1.18 0.36 5.26 1.57 -0.64 -1.70 116.57 122.48 2a7o h LYS 87 Ca 0.11 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2a7o h LYS 87 Cb 0.30 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2a7o h LYS 87 CO -0.27 0.78 -0.17 1.15 -0.57 0.00 0.00 179.45 180.37 2a7o h THR 88 N 1.22 0.00 -0.41 -0.16 2.02 0.51 0.83 112.91 116.91 2a7o h THR 88 Ca 0.40 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 2a7o h THR 88 Cb 0.05 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 2a7o h THR 88 CO -0.14 0.00 0.14 0.07 0.37 0.00 0.00 175.52 175.96 2a7o h LYS 89 N -1.09 0.59 -0.13 6.66 5.09 -0.79 0.40 116.57 127.30 2a7o h LYS 89 Ca -0.05 -0.08 -0.14 0.00 0.09 0.00 0.00 60.65 60.47 2a7o h LYS 89 Cb 0.37 -0.11 -0.01 0.00 0.10 0.00 0.00 32.23 32.59 2a7o h LYS 89 CO 0.08 0.51 -0.52 0.93 -2.09 0.00 0.00 179.45 178.36 2a7o h GLU 90 N 0.58 0.37 -0.07 0.07 4.39 -1.33 -1.04 114.58 117.56 2a7o h GLU 90 Ca 0.14 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2a7o h GLU 90 Cb 0.15 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2a7o h GLU 90 CO -0.01 0.80 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.68 2a7o h TYR 91 N 0.29 0.17 -0.08 4.33 3.20 0.59 -1.70 116.97 123.77 2a7o h TYR 91 Ca 0.01 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.87 2a7o h TYR 91 Cb 1.01 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 2a7o h TYR 91 CO 0.03 0.54 -0.44 0.82 -1.64 0.00 0.00 178.16 177.47 2a7o h ILE 92 N -0.25 0.13 -0.51 1.81 1.08 -0.17 0.40 117.51 120.00 2a7o h ILE 92 Ca 0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 2a7o h ILE 92 Cb 0.50 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.35 2a7o h ILE 92 CO 0.01 0.00 0.30 0.07 -0.69 0.00 0.00 178.15 177.84 2a7o h LYS 93 N -0.54 0.58 -0.15 2.37 5.09 -1.19 0.13 116.57 122.86 2a7o h LYS 93 Ca 0.06 -0.04 -0.07 0.00 0.09 0.00 0.00 60.65 60.70 2a7o h LYS 93 Cb 0.65 -0.13 -0.01 0.00 0.10 0.00 0.00 32.23 32.83 2a7o h LYS 93 CO -0.37 0.39 -0.21 -0.22 -2.09 0.00 0.00 179.45 176.94 2a7o h LYS 94 N 0.60 0.26 0.07 0.07 3.64 -0.67 -1.18 116.57 119.37 2a7o h LYS 94 Ca 0.20 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2a7o h LYS 94 Cb 0.02 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2a7o h LYS 94 CO -0.09 0.47 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.60 2a7o h TYR 95 N 0.24 -0.09 0.00 1.91 3.20 0.67 -3.06 116.97 119.84 2a7o h TYR 95 Ca 0.04 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2a7o h TYR 95 Cb 0.52 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 2a7o h TYR 95 CO 0.01 0.26 -0.03 0.52 -1.64 0.00 0.00 178.16 177.28 2a7o h MET 96 N -0.45 0.00 0.00 1.82 2.86 0.20 -0.34 114.93 119.02 2a7o h MET 96 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2a7o h MET 96 Cb 0.39 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2a7o h MET 96 CO 0.02 0.03 -0.01 1.96 1.06 0.00 0.00 176.91 179.97 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.14 -1.87 115.11 114.90 2a7o h GLN 97 Ca -0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2a7o h GLN 97 Cb 0.10 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2a7o h GLN 97 CO 0.00 0.01 -0.23 1.57 -0.95 0.00 0.00 178.83 179.24 2a7o h LYS 98 N 0.00 0.00 0.00 1.46 2.10 -1.15 -3.22 116.57 115.76 2a7o h LYS 98 Ca -0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.44 2a7o h LYS 98 Cb 0.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 2a7o h LYS 98 CO 0.00 0.23 -0.91 0.74 -2.00 0.00 0.00 179.45 177.51 2a7o h PHE 99 N 0.00 0.47 0.00 0.07 0.04 -1.47 -3.49 116.94 112.56 2a7o h PHE 99 Ca -0.00 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 60.51 2a7o h PHE 99 Cb 1.14 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2a7o h PHE 99 CO 0.00 1.07 0.00 0.41 -0.60 0.00 0.00 178.31 179.19 2a7o n GLY 100 N 0.91 0.93 0.13 -1.45 0.00 -1.22 -4.28 105.19 100.21 2a7o n GLY 100 Ca -0.05 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.01 -3.00 4.61 0.00 -1.91 0.27 119.26 119.23 2a7o h ALA 101 Ca 0.00 -0.89 -0.52 0.00 0.00 0.00 0.00 54.91 53.49 2a7o h ALA 101 Cb 0.00 0.26 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 2a7o h ALA 101 CO 0.00 0.64 -0.79 0.08 0.00 0.00 0.00 179.25 179.19 2a7o s VAL 102 N -2.49 1.80 -0.73 0.00 1.01 -1.26 -1.02 120.40 117.70 2a7o s VAL 102 Ca -0.15 -1.88 -0.27 0.00 0.00 0.00 0.00 61.98 59.69 2a7o s VAL 102 Cb 0.03 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.63 2a7o s VAL 102 CO 0.84 -0.29 1.31 -0.47 0.00 0.00 0.00 175.10 176.49 2a7o s TYR 103 N -1.96 2.25 -0.62 5.22 5.04 0.13 -4.56 117.35 122.85 2a7o s TYR 103 Ca 0.15 -0.01 -0.03 0.00 -2.44 0.00 0.00 57.07 54.74 2a7o s TYR 103 Cb -0.06 -4.60 0.16 0.00 0.35 0.00 0.00 41.96 37.81 2a7o s TYR 103 CO 0.06 -2.09 0.44 0.15 -1.34 0.00 0.00 175.55 172.77 2a7o s LYS 104 N 5.80 2.57 0.57 4.97 1.02 -1.26 -4.59 119.74 128.82 2a7o s LYS 104 Ca 0.37 -2.52 0.33 0.00 0.02 0.00 0.00 55.97 54.17 2a7o s LYS 104 Cb -0.08 -3.74 1.69 0.00 -0.52 0.00 0.00 37.83 35.18 2a7o s LYS 104 CO 0.15 -1.17 2.13 -1.00 -0.92 0.00 0.00 175.35 174.54 2a7o h PRO 105 N 7.05 0.00 -0.01 -1.68 0.13 -1.97 0.17 132.00 135.69 2a7o h PRO 105 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.71 0.06 0.02 0.87 -0.23 0.00 0.00 178.00 179.44 2a7o h LYS 106 N 0.00 0.00 -0.39 0.86 1.57 -2.02 -0.16 116.57 116.43 2a7o h LYS 106 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2a7o h LYS 106 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2a7o h LYS 106 CO 0.01 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.28 2a7o n GLU 107 N -3.43 2.41 -1.25 3.15 -0.58 0.57 -5.01 120.64 116.50 2a7o n GLU 107 Ca -0.03 -2.12 -0.31 0.00 -0.42 0.00 0.00 57.16 54.29 2a7o n GLU 107 Cb 0.10 -1.39 0.10 0.00 -0.57 0.00 0.00 31.44 29.68 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 -1.11 4.40 0.00 1.62 2.15 -0.07 -4.96 116.67 118.69 2a7o s ASP 108 Ca 0.31 1.80 0.31 0.00 0.43 0.00 0.00 52.55 55.39 2a7o s ASP 108 Cb 0.17 -2.49 1.83 0.00 -0.30 0.00 0.00 42.92 42.14 2a7o s ASP 108 CO 0.23 -2.10 2.16 1.07 -0.17 0.00 0.00 175.17 176.37