#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7o h SER 11 N 0.00 0.00 0.04 3.42 0.02 -2.01 0.24 113.55 115.26 2a7o h SER 11 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2a7o h SER 11 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2a7o h SER 11 CO 0.00 0.00 -0.02 0.77 -1.14 0.00 0.00 176.83 176.44 2a7o h SER 12 N 0.00 -0.04 0.14 3.07 4.64 -2.00 -2.77 113.55 116.59 2a7o h SER 12 Ca 0.00 -0.24 -0.22 0.00 -0.47 0.00 0.00 61.79 60.86 2a7o h SER 12 Cb 0.69 0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.80 2a7o h SER 12 CO 0.00 0.22 -1.02 1.05 -0.87 0.00 0.00 176.83 176.20 2a7o h GLU 13 N -0.30 0.31 -0.77 4.77 4.11 -1.87 -3.02 114.58 117.80 2a7o h GLU 13 Ca -0.01 -0.52 0.11 0.00 0.07 0.00 0.00 59.36 59.01 2a7o h GLU 13 Cb 0.28 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 2a7o h GLU 13 CO 0.01 1.25 0.39 1.25 0.07 0.00 0.00 179.01 181.98 2a7o h LEU 14 N -0.31 0.51 0.00 3.06 7.12 -0.65 -0.08 115.31 124.95 2a7o h LEU 14 Ca -0.19 0.07 0.00 0.00 0.13 0.00 0.00 57.88 57.89 2a7o h LEU 14 Cb 1.72 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.83 2a7o h LEU 14 CO 0.14 0.27 -0.42 0.00 -0.13 0.00 0.00 178.44 178.29 2a7o n ALA 15 N -2.41 3.18 0.01 1.25 0.00 -1.05 -1.65 120.51 119.85 2a7o n ALA 15 Ca 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 2a7o n ALA 15 Cb 0.32 -1.20 0.23 0.00 0.00 0.00 0.00 19.45 18.81 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 0.48 0.25 0.00 1.63 -0.87 0.17 116.57 118.23 2a7o h LYS 16 Ca 0.00 -0.16 -0.34 0.00 -0.85 0.00 0.00 60.65 59.31 2a7o h LYS 16 Cb 0.55 -0.04 0.04 0.00 -0.60 0.00 0.00 32.23 32.17 2a7o h LYS 16 CO 0.00 0.65 -1.49 0.87 -3.45 0.00 0.00 179.45 176.02 2a7o h LYS 17 N 0.44 0.53 -0.33 1.90 6.56 -1.35 -3.31 116.57 121.01 2a7o h LYS 17 Ca 0.08 -0.90 0.01 0.00 -1.06 0.00 0.00 60.65 58.77 2a7o h LYS 17 Cb 0.56 0.33 -0.02 0.00 -0.57 0.00 0.00 32.23 32.54 2a7o h LYS 17 CO 0.04 1.43 0.22 0.77 -2.06 0.00 0.00 179.45 179.84 2a7o h SER 18 N 0.14 0.37 -0.28 0.86 0.02 -0.71 -0.55 113.55 113.40 2a7o h SER 18 Ca -0.26 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 2a7o h SER 18 Cb 2.16 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.59 2a7o h SER 18 CO 0.27 0.26 -0.02 0.11 -1.14 0.00 0.00 176.83 176.32 2a7o h LYS 19 N 0.43 0.62 -0.01 3.45 1.57 -0.78 0.68 116.57 122.54 2a7o h LYS 19 Ca 0.12 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2a7o h LYS 19 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2a7o h LYS 19 CO -0.03 0.66 -0.01 0.93 -0.57 0.00 0.00 179.45 180.43 2a7o h GLU 20 N 0.59 0.02 -0.74 3.15 4.39 -1.32 0.18 114.58 120.85 2a7o h GLU 20 Ca 0.12 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2a7o h GLU 20 Cb 0.40 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2a7o h GLU 20 CO 0.02 0.54 0.47 0.28 -1.16 0.00 0.00 179.01 179.16 2a7o h VAL 21 N -0.49 1.20 0.28 3.13 2.07 -0.88 0.11 116.25 121.66 2a7o h VAL 21 Ca 0.00 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2a7o h VAL 21 Cb 0.53 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2a7o h VAL 21 CO 0.00 0.20 -0.13 0.15 0.02 0.00 0.00 177.57 177.81 2a7o h PHE 22 N 1.01 -0.35 0.00 1.57 3.57 0.47 -0.92 116.94 122.30 2a7o h PHE 22 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2a7o h PHE 22 Cb -0.08 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2a7o h PHE 22 CO -0.02 -0.01 -0.08 0.07 -2.23 0.00 0.00 178.31 176.04 2a7o h ARG 23 N -0.72 0.00 -0.11 1.11 -0.00 -0.53 -0.63 114.38 113.51 2a7o h ARG 23 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.86 2a7o h ARG 23 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.46 2a7o h ARG 23 CO 0.06 0.08 -0.26 -0.22 -0.00 0.00 0.00 179.97 179.63 2a7o h LYS 24 N 0.00 0.37 0.32 0.08 3.64 -0.58 0.26 116.57 120.67 2a7o h LYS 24 Ca -0.00 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 2a7o h LYS 24 Cb 0.16 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2a7o h LYS 24 CO 0.01 0.86 -0.15 0.93 -2.27 0.00 0.00 179.45 178.83 2a7o h GLU 25 N -0.06 -0.42 -0.77 1.90 4.39 -0.70 -1.42 114.58 117.51 2a7o h GLU 25 Ca -0.00 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2a7o h GLU 25 Cb 0.87 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.58 2a7o h GLU 25 CO 0.06 -0.26 0.36 1.98 -1.16 0.00 0.00 179.01 179.99 2a7o h MET 26 N -0.46 1.10 -0.91 2.33 4.05 -1.12 0.31 114.93 120.23 2a7o h MET 26 Ca -0.04 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.20 2a7o h MET 26 Cb 0.35 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 2a7o h MET 26 CO 0.07 0.85 0.52 0.77 0.23 0.00 0.00 176.91 179.35 2a7o h SER 27 N 1.09 1.11 -0.34 1.39 0.02 -0.31 0.42 113.55 116.94 2a7o h SER 27 Ca 0.26 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2a7o h SER 27 Cb 0.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2a7o h SER 27 CO -0.03 0.88 -0.13 1.56 -1.14 0.00 0.00 176.83 177.96 2a7o h GLN 28 N 1.26 0.69 -0.18 3.45 4.20 -0.07 0.23 115.11 124.69 2a7o h GLN 28 Ca 0.32 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2a7o h GLN 28 Cb -0.01 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2a7o h GLN 28 CO -0.06 0.88 0.10 0.35 -0.67 0.00 0.00 178.83 179.44 2a7o h PHE 29 N 0.47 0.24 -0.34 2.96 3.57 -0.05 0.51 116.94 124.30 2a7o h PHE 29 Ca 0.08 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2a7o h PHE 29 Cb 0.66 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2a7o h PHE 29 CO 0.06 0.23 0.07 0.82 -2.23 0.00 0.00 178.31 177.26 2a7o h ILE 30 N 0.19 1.23 -0.58 1.41 2.04 -0.07 0.10 117.51 121.83 2a7o h ILE 30 Ca 0.06 -0.77 0.11 0.00 1.00 0.00 0.00 64.86 65.26 2a7o h ILE 30 Cb 0.06 1.08 -0.08 0.00 -0.74 0.00 0.00 36.82 37.14 2a7o h ILE 30 CO -0.01 0.26 0.10 0.58 0.00 0.00 0.00 178.15 179.08 2a7o h VAL 31 N 0.39 0.64 -0.57 1.67 2.07 -0.35 0.42 116.25 120.52 2a7o h VAL 31 Ca 0.11 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.56 2a7o h VAL 31 Cb 0.32 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 2a7o h VAL 31 CO 0.00 0.04 0.36 -0.61 0.02 0.00 0.00 177.57 177.39 2a7o h GLN 32 N 0.23 0.70 -0.45 1.57 4.15 -0.44 0.44 115.11 121.32 2a7o h GLN 32 Ca 0.30 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.60 2a7o h GLN 32 Cb 0.44 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 2a7o h GLN 32 CO -0.40 0.47 -0.04 0.00 -1.93 0.00 0.00 178.83 176.92 2a7o h LEU 34 N 0.71 0.00 -0.97 0.00 3.38 0.33 -3.36 115.31 115.40 2a7o h LEU 34 Ca 0.13 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.29 2a7o h LEU 34 Cb 0.49 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.06 2a7o h LEU 34 CO 0.03 0.00 -0.24 0.78 0.09 0.00 0.00 178.44 179.10 2a7o h ASN 35 N 0.00 -0.90 0.70 -0.43 2.35 -0.66 0.12 115.58 116.75 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 0.97 0.60 0.00 0.00 0.05 0.00 0.00 38.32 39.94 2a7o h ASN 35 CO 0.00 -0.32 0.00 -0.81 -1.65 0.00 0.00 177.43 174.65 2a7o n PRO 36 N -5.61 0.14 0.03 0.81 -0.04 -1.26 -2.71 135.00 126.37 2a7o n PRO 36 Ca 0.15 0.36 -0.03 0.00 -0.04 0.00 0.00 63.50 63.94 2a7o n PRO 36 Cb 0.49 -1.76 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 2a7o n PRO 36 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2a7o h TYR 37 N 0.00 0.00 -0.01 0.54 -1.99 -1.03 -3.29 116.97 111.20 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 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 2a7o h TYR 37 CO 0.00 0.75 -0.00 2.89 -0.00 0.00 0.00 178.16 181.80 2a7o n ARG 38 N -3.04 1.27 -2.55 4.88 1.85 -0.75 0.03 116.66 118.35 2a7o n ARG 38 Ca -0.09 -0.42 -0.40 0.00 -1.00 0.00 0.00 57.85 55.95 2a7o n ARG 38 Cb 0.90 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 30.77 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 -2.01 4.64 0.30 2.89 -0.14 -1.24 -4.75 119.74 119.43 2a7o s LYS 39 Ca 0.43 1.70 0.23 0.00 -1.36 0.00 0.00 55.97 56.96 2a7o s LYS 39 Cb 0.22 -3.14 1.11 0.00 -1.68 0.00 0.00 37.83 34.33 2a7o s LYS 39 CO 0.36 0.25 1.69 -0.35 -0.76 0.00 0.00 175.35 176.53 2a7o n PRO 40 N 1.12 0.16 -0.57 -1.68 -0.04 -1.26 -1.33 135.00 131.40 2a7o n PRO 40 Ca -0.01 0.56 0.10 0.00 -0.04 0.00 0.00 63.50 64.11 2a7o n PRO 40 Cb 0.46 -1.93 0.35 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.26 4.60 -4.66 3.54 5.75 -1.26 -4.91 116.55 117.35 2a7o n ASP 41 Ca -0.00 -2.40 -0.43 0.00 -0.01 0.00 0.00 54.79 51.95 2a7o n ASP 41 Cb 0.11 -0.56 -0.02 0.00 -1.03 0.00 0.00 41.12 39.62 2a7o n ASP 41 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2a7o h LYS 43 N 8.71 0.59 -4.16 0.00 1.79 -1.90 -3.39 116.57 118.21 2a7o h LYS 43 Ca -0.32 -0.51 -0.52 0.00 -2.18 0.00 0.00 60.65 57.13 2a7o h LYS 43 Cb 1.14 0.11 -0.37 0.00 -1.58 0.00 0.00 32.23 31.53 2a7o h LYS 43 CO 0.96 1.13 -0.80 0.08 -1.08 0.00 0.00 179.45 179.74 2a7o s VAL 44 N -3.60 0.94 -0.41 0.50 1.01 -1.26 -4.14 120.40 113.44 2a7o s VAL 44 Ca -0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 2a7o s VAL 44 Cb 0.09 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.49 2a7o s VAL 44 CO 0.88 0.35 0.34 0.61 0.00 0.00 0.00 175.10 177.28 2a7o n GLY 45 N 4.97 0.17 3.65 4.51 0.00 0.64 -4.87 105.19 114.26 2a7o n GLY 45 Ca -0.12 -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 -4.44 4.17 -0.08 1.61 3.00 0.50 -4.56 118.95 119.15 2a7o s ARG 46 Ca 0.00 1.40 -0.30 0.00 -1.00 0.00 0.00 55.73 55.84 2a7o s ARG 46 Cb -0.00 -3.73 -0.03 0.00 0.00 0.00 0.00 34.95 31.18 2a7o s ARG 46 CO 0.25 -0.77 1.26 0.42 0.00 0.00 0.00 175.30 176.46 2a7o s ILE 47 N 3.55 4.16 0.04 4.11 1.01 0.10 -0.08 121.20 134.10 2a7o s ILE 47 Ca 0.50 1.48 -0.33 0.00 0.00 0.00 0.00 60.65 62.30 2a7o s ILE 47 Cb -0.17 -3.95 -0.18 0.00 0.01 0.00 0.00 42.46 38.16 2a7o s ILE 47 CO 0.13 -0.04 1.41 0.71 0.00 0.00 0.00 174.94 177.15 2a7o h THR 48 N 5.14 0.08 -4.21 2.92 1.35 -1.89 -3.43 112.91 112.87 2a7o h THR 48 Ca -0.33 -0.13 -0.24 0.00 -0.55 0.00 0.00 66.41 65.16 2a7o h THR 48 Cb 1.15 0.10 -0.15 0.00 -1.73 0.00 0.00 68.15 67.52 2a7o h THR 48 CO 0.91 0.01 -0.64 -0.89 -0.25 0.00 0.00 175.52 174.65 2a7o s THR 49 N -5.50 0.29 0.17 6.82 2.01 -1.26 -5.05 115.64 113.12 2a7o s THR 49 Ca -0.17 -1.95 -0.13 0.00 0.31 0.00 0.00 61.69 59.74 2a7o s THR 49 Cb 0.02 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.38 2a7o s THR 49 CO 0.54 -0.33 1.75 0.00 -0.69 0.00 0.00 174.62 175.89 2a7o h THR 50 N 2.72 1.20 -0.11 -0.82 1.03 -1.98 0.10 112.91 115.05 2a7o h THR 50 Ca -0.36 -0.56 -0.04 0.00 -0.01 0.00 0.00 66.41 65.44 2a7o h THR 50 Cb 1.21 0.55 -0.01 0.00 -1.07 0.00 0.00 68.15 68.84 2a7o h THR 50 CO 0.59 0.23 -0.12 1.05 -0.01 0.00 0.00 175.52 177.26 2a7o h GLU 51 N 0.75 0.17 -0.13 0.00 9.09 -1.98 0.96 114.58 123.43 2a7o h GLU 51 Ca 0.19 -0.03 -0.15 0.00 0.05 0.00 0.00 59.36 59.42 2a7o h GLU 51 Cb 0.11 -0.03 0.01 0.00 -1.65 0.00 0.00 28.75 27.19 2a7o h GLU 51 CO -0.02 0.30 -0.52 -0.44 0.05 0.00 0.00 179.01 178.38 2a7o h ASP 52 N 0.16 0.68 -0.27 3.06 3.32 -1.76 0.24 116.42 121.85 2a7o h ASP 52 Ca 0.03 -0.62 0.05 0.00 0.02 0.00 0.00 57.03 56.51 2a7o h ASP 52 Cb 0.32 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.62 2a7o h ASP 52 CO 0.02 1.18 -0.02 0.15 -1.72 0.00 0.00 179.24 178.86 2a7o h PHE 53 N 0.21 -0.04 -0.74 4.55 3.57 -0.10 -0.07 116.94 124.31 2a7o h PHE 53 Ca -0.03 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2a7o h PHE 53 Cb 1.15 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 2a7o h PHE 53 CO 0.11 -0.06 0.24 0.87 -2.23 0.00 0.00 178.31 177.24 2a7o h LYS 54 N 0.06 1.14 -0.12 1.11 1.57 -0.76 0.52 116.57 120.10 2a7o h LYS 54 Ca 0.13 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2a7o h LYS 54 Cb 0.18 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2a7o h LYS 54 CO -0.23 0.96 0.04 1.25 -0.57 0.00 0.00 179.45 180.90 2a7o h HIS 55 N 1.09 0.19 -0.13 -1.35 2.76 -0.47 -0.71 115.15 116.53 2a7o h HIS 55 Ca 0.24 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2a7o h HIS 55 Cb 0.29 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 2a7o h HIS 55 CO 0.02 0.31 0.02 1.25 -1.30 0.00 0.00 177.93 178.24 2a7o h LEU 56 N 0.01 0.21 -0.81 0.26 6.46 -0.90 -1.05 115.31 119.49 2a7o h LEU 56 Ca 0.04 -0.26 0.11 0.00 -0.12 0.00 0.00 57.88 57.64 2a7o h LEU 56 Cb 0.21 -0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 40.01 2a7o h LEU 56 CO -0.00 0.42 0.44 0.00 -0.62 0.00 0.00 178.44 178.67 2a7o h ALA 57 N 0.80 1.16 -0.26 1.25 0.00 -0.67 0.14 119.26 121.67 2a7o h ALA 57 Ca 0.04 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 2a7o h ALA 57 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2a7o h ALA 57 CO 0.00 0.03 -0.59 0.07 0.00 0.00 0.00 179.25 178.75 2a7o h ARG 58 N 0.71 0.85 -0.43 0.00 -0.00 -0.98 -1.22 114.38 113.31 2a7o h ARG 58 Ca 0.40 -0.57 -0.07 0.00 -0.00 0.00 0.00 59.98 59.74 2a7o h ARG 58 Cb 0.43 0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 30.46 2a7o h ARG 58 CO -0.28 1.20 -0.02 -0.22 -0.00 0.00 0.00 179.97 180.65 2a7o h LYS 59 N 0.64 0.77 -0.61 0.08 3.64 -0.26 -1.27 116.57 119.55 2a7o h LYS 59 Ca 0.00 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 2a7o h LYS 59 Cb 1.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2a7o h LYS 59 CO 0.13 0.85 0.04 -0.07 -2.27 0.00 0.00 179.45 178.12 2a7o h LEU 60 N 0.60 1.02 -0.73 5.20 3.38 -0.71 0.20 115.31 124.28 2a7o h LEU 60 Ca 0.12 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2a7o h LEU 60 Cb 0.51 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2a7o h LEU 60 CO 0.03 1.05 0.40 0.74 0.09 0.00 0.00 178.44 180.75 2a7o h THR 61 N 0.97 0.92 0.01 0.22 2.02 -0.97 -1.27 112.91 114.81 2a7o h THR 61 Ca 0.18 -0.24 -0.19 0.00 0.77 0.00 0.00 66.41 66.93 2a7o h THR 61 Cb 0.51 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 2a7o h THR 61 CO 0.02 0.13 -0.89 -0.74 0.37 0.00 0.00 175.52 174.41 2a7o h HIS 62 N 0.71 0.09 -0.00 3.16 -0.00 -0.24 -2.46 115.15 116.40 2a7o h HIS 62 Ca 0.34 -0.06 -0.20 0.00 -0.00 0.00 0.00 60.37 60.45 2a7o h HIS 62 Cb 0.28 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 2a7o h HIS 62 CO -0.08 0.92 -0.88 0.78 -0.00 0.00 0.00 177.93 178.66 2a7o h GLY 63 N 2.38 0.28 1.37 5.26 0.00 -0.11 0.14 103.07 112.38 2a7o h GLY 63 Ca -0.02 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.71 2a7o h GLY 63 CO 0.12 0.43 -0.20 -2.08 0.00 0.00 0.00 176.54 174.82 2a7o h VAL 64 N 0.14 1.27 0.02 4.60 2.07 -1.27 -1.02 116.25 122.06 2a7o h VAL 64 Ca -0.05 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 2a7o h VAL 64 Cb 1.51 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2a7o h VAL 64 CO 0.14 0.43 -0.01 -0.03 0.02 0.00 0.00 177.57 178.12 2a7o h MET 65 N 0.65 -0.02 -0.54 1.57 -1.53 -1.21 -1.11 114.93 112.74 2a7o h MET 65 Ca 0.10 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.32 2a7o h MET 65 Cb 0.69 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.72 2a7o h MET 65 CO 0.05 0.14 0.18 -0.91 0.14 0.00 0.00 176.91 176.52 2a7o h ASN 66 N -0.18 0.77 -0.15 1.39 2.35 -0.65 0.67 115.58 119.77 2a7o h ASN 66 Ca -0.00 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.58 2a7o h ASN 66 Cb 0.17 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2a7o h ASN 66 CO 0.00 0.76 -0.00 0.50 -1.65 0.00 0.00 177.43 177.04 2a7o h LYS 67 N 0.74 0.05 -0.04 0.81 3.11 -0.89 0.89 116.57 121.24 2a7o h LYS 67 Ca 0.17 -0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.82 2a7o h LYS 67 Cb 0.26 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.47 2a7o h LYS 67 CO -0.01 0.03 -0.79 1.05 -2.81 0.00 0.00 179.45 176.92 2a7o h GLU 68 N 0.05 0.31 0.00 1.90 4.11 -1.10 -1.68 114.58 118.18 2a7o h GLU 68 Ca 0.07 -0.29 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 2a7o h GLU 68 Cb 0.09 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2a7o h GLU 68 CO -0.12 0.96 -0.03 -0.07 0.07 0.00 0.00 179.01 179.81 2a7o h LEU 69 N 0.20 0.00 0.00 3.06 3.38 -0.38 1.11 115.31 122.68 2a7o h LEU 69 Ca -0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.72 2a7o h LEU 69 Cb 1.38 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.15 2a7o h LEU 69 CO 0.13 0.03 -0.83 0.11 0.09 0.00 0.00 178.44 177.97 2a7o h LYS 70 N 0.00 0.56 0.00 1.13 1.57 -0.02 -2.97 116.57 116.84 2a7o h LYS 70 Ca -0.00 -0.60 -0.18 0.00 -1.87 0.00 0.00 60.65 57.99 2a7o h LYS 70 Cb 0.09 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2a7o h LYS 70 CO 0.00 1.22 -1.00 1.88 -0.57 0.00 0.00 179.45 180.98 2a7o h TYR 71 N 0.14 0.00 -3.12 -1.35 -1.99 -0.75 -3.38 116.97 106.53 2a7o h TYR 71 Ca -0.10 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 60.00 2a7o h TYR 71 Cb 1.51 0.00 -0.41 0.00 2.00 0.00 0.00 36.73 39.84 2a7o h TYR 71 CO 0.13 0.78 -0.66 0.00 -0.00 0.00 0.00 178.16 178.40 2a7o h LYS 73 N 6.13 0.00 -4.59 0.00 1.79 -1.71 -3.33 116.57 114.86 2a7o h LYS 73 Ca 0.04 0.00 -0.71 0.00 -2.18 0.00 0.00 60.65 57.80 2a7o h LYS 73 Cb 0.86 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.25 2a7o h LYS 73 CO 0.63 0.00 -0.52 -0.80 -1.08 0.00 0.00 179.45 177.67 2a7o s ASN 74 N -4.53 5.69 0.00 0.86 -0.87 -1.26 -4.96 114.94 109.87 2a7o s ASN 74 Ca 0.03 -1.04 0.00 0.00 -1.57 0.00 0.00 52.86 50.28 2a7o s ASN 74 Cb 0.09 -2.00 0.00 0.00 -0.02 0.00 0.00 41.25 39.32 2a7o s ASN 74 CO 0.41 -0.39 0.53 -0.81 -2.57 0.00 0.00 177.10 174.27 2a7o n PRO 75 N 4.97 0.54 0.00 -0.60 -0.04 -1.26 -2.70 135.00 135.92 2a7o n PRO 75 Ca -0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.45 2a7o n PRO 75 Cb 0.46 -1.01 0.62 0.00 -0.04 0.00 0.00 33.50 33.53 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 -0.47 0.53 0.00 0.54 2.13 -1.26 -1.15 120.64 120.96 2a7o n GLU 76 Ca 0.00 0.04 0.01 0.00 0.66 0.00 0.00 57.16 57.86 2a7o n GLU 76 Cb 0.01 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.22 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 -1.13 1.02 -4.46 4.31 2.03 -1.10 -4.92 116.55 112.30 2a7o n ASP 77 Ca 0.14 -1.01 -0.43 0.00 0.52 0.00 0.00 54.79 54.01 2a7o n ASP 77 Cb 0.12 0.07 -0.03 0.00 -0.72 0.00 0.00 41.12 40.56 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 -0.24 4.42 -0.05 -2.67 2.96 -0.30 -4.91 118.68 117.89 2a7o s LEU 78 Ca 0.01 -1.19 -0.07 0.00 -0.22 0.00 0.00 54.13 52.67 2a7o s LEU 78 Cb 0.01 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.29 2a7o s LEU 78 CO 0.02 -1.39 0.17 -0.70 -1.32 0.00 0.00 176.35 173.13 2a7o s GLU 79 N 3.92 0.28 -1.33 1.98 2.56 -1.26 -4.79 118.70 120.05 2a7o s GLU 79 Ca 0.26 0.10 -0.13 0.00 0.00 0.00 0.00 54.97 55.19 2a7o s GLU 79 Cb -0.13 0.13 0.11 0.00 2.00 0.00 0.00 34.13 36.23 2a7o s GLU 79 CO 0.06 -0.05 1.88 0.00 -0.56 0.00 0.00 175.26 176.59 2a7o n ASN 81 N 5.74 0.08 0.17 0.00 0.23 -1.26 -4.85 115.26 115.37 2a7o n ASN 81 Ca 0.45 -0.99 -0.14 0.00 -0.53 0.00 0.00 54.58 53.37 2a7o n ASN 81 Cb 0.40 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.04 2a7o n ASN 81 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2a7o h GLU 82 N 0.00 -0.54 -0.39 -3.83 5.08 -1.98 0.32 114.58 113.24 2a7o h GLU 82 Ca 0.00 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.48 2a7o h GLU 82 Cb 0.00 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 29.29 2a7o h GLU 82 CO 0.00 -0.36 -0.16 -0.97 -1.00 0.00 0.00 179.01 176.52 2a7o h ASN 83 N -0.56 -0.56 -0.17 1.42 -1.24 -1.95 0.26 115.58 112.78 2a7o h ASN 83 Ca 0.00 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 2a7o h ASN 83 Cb 0.54 0.32 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 2a7o h ASN 83 CO -0.09 -0.20 0.05 0.58 -1.29 0.00 0.00 177.43 176.48 2a7o h VAL 84 N -0.09 1.20 -0.39 2.57 2.07 -1.71 -1.62 116.25 118.29 2a7o h VAL 84 Ca 0.19 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.15 2a7o h VAL 84 Cb 0.38 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2a7o h VAL 84 CO -0.44 0.19 0.07 0.11 0.02 0.00 0.00 177.57 177.51 2a7o h LYS 85 N 0.10 0.18 -0.21 1.57 1.57 0.13 0.97 116.57 120.89 2a7o h LYS 85 Ca 0.06 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2a7o h LYS 85 Cb 0.25 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 2a7o h LYS 85 CO -0.00 0.12 -0.21 1.25 -0.57 0.00 0.00 179.45 180.04 2a7o h HIS 86 N 0.19 -0.56 -0.29 -1.35 2.76 -0.23 0.73 115.15 116.40 2a7o h HIS 86 Ca 0.19 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.32 2a7o h HIS 86 Cb 0.23 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2a7o h HIS 86 CO -0.21 -0.29 -0.10 0.87 -1.30 0.00 0.00 177.93 176.90 2a7o h LYS 87 N -0.23 0.49 0.51 5.26 1.57 -0.62 -1.72 116.57 121.82 2a7o h LYS 87 Ca 0.13 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2a7o h LYS 87 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2a7o h LYS 87 CO -0.34 0.59 -0.24 1.15 -0.57 0.00 0.00 179.45 180.04 2a7o h THR 88 N 0.46 0.00 -0.25 -0.16 2.02 0.70 0.13 112.91 115.80 2a7o h THR 88 Ca 0.09 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 2a7o h THR 88 Cb 0.45 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2a7o h THR 88 CO 0.02 0.00 -0.10 0.07 0.37 0.00 0.00 175.52 175.89 2a7o h LYS 89 N -1.18 0.41 -0.20 6.66 5.09 -0.91 0.38 116.57 126.83 2a7o h LYS 89 Ca -0.07 -0.10 -0.10 0.00 0.09 0.00 0.00 60.65 60.47 2a7o h LYS 89 Cb 0.52 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 32.79 2a7o h LYS 89 CO 0.11 0.52 -0.32 0.93 -2.09 0.00 0.00 179.45 178.61 2a7o h GLU 90 N 0.39 0.40 -0.09 0.07 5.08 -1.29 -0.63 114.58 118.50 2a7o h GLU 90 Ca 0.08 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2a7o h GLU 90 Cb 0.41 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2a7o h GLU 90 CO 0.02 0.67 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.74 2a7o h TYR 91 N 0.34 0.21 -0.35 4.33 3.20 0.78 -1.49 116.97 123.99 2a7o h TYR 91 Ca 0.04 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.94 2a7o h TYR 91 Cb 0.73 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.87 2a7o h TYR 91 CO 0.02 0.55 -0.20 0.82 -1.64 0.00 0.00 178.16 177.70 2a7o h ILE 92 N -0.18 0.43 0.04 1.81 1.08 -0.16 0.49 117.51 121.03 2a7o h ILE 92 Ca 0.02 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.52 2a7o h ILE 92 Cb 0.49 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.62 2a7o h ILE 92 CO 0.01 0.00 -0.41 0.11 -0.69 0.00 0.00 178.15 177.18 2a7o h LYS 93 N -0.15 -0.57 -0.13 2.37 1.79 -0.97 0.82 116.57 119.72 2a7o h LYS 93 Ca 0.18 0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.61 2a7o h LYS 93 Cb 0.42 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 2a7o h LYS 93 CO -0.44 -0.38 -0.27 -0.22 -1.08 0.00 0.00 179.45 177.06 2a7o h LYS 94 N -0.59 0.23 0.07 3.15 3.64 -0.60 -1.16 116.57 121.32 2a7o h LYS 94 Ca 0.04 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2a7o h LYS 94 Cb 0.65 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2a7o h LYS 94 CO -0.28 0.49 -0.04 -0.92 -2.27 0.00 0.00 179.45 176.44 2a7o h TYR 95 N 0.21 -0.09 0.00 1.91 3.20 0.50 -3.01 116.97 119.69 2a7o h TYR 95 Ca 0.03 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2a7o h TYR 95 Cb 0.60 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2a7o h TYR 95 CO 0.01 0.27 0.00 0.52 -1.64 0.00 0.00 178.16 177.32 2a7o h MET 96 N -0.46 0.00 0.00 1.82 2.86 0.29 -1.51 114.93 117.93 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 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 2a7o h MET 96 CO 0.02 0.00 -0.00 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 -1.12 -2.48 115.11 114.31 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 0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 2a7o h GLN 97 CO 0.00 0.00 -0.40 1.57 -0.95 0.00 0.00 178.83 179.05 2a7o h LYS 98 N 0.00 0.00 -0.16 1.46 2.10 -1.34 -3.24 116.57 115.39 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 0.33 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2a7o h LYS 98 CO 0.00 0.40 -0.71 0.74 -2.00 0.00 0.00 179.45 177.88 2a7o h PHE 99 N 0.00 1.02 0.00 0.07 0.04 -1.59 -3.49 116.94 112.98 2a7o h PHE 99 Ca -0.00 -0.44 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2a7o h PHE 99 Cb 1.19 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 39.18 2a7o h PHE 99 CO 0.00 1.27 0.00 0.41 -0.60 0.00 0.00 178.31 179.39 2a7o n GLY 100 N 0.67 0.65 0.11 -1.45 0.00 -1.23 -4.49 105.19 99.45 2a7o n GLY 100 Ca -0.07 -1.32 -0.16 0.00 0.00 0.00 0.00 46.02 44.46 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 0.02 -3.26 4.61 0.00 -1.92 0.18 119.26 118.89 2a7o h ALA 101 Ca 0.00 -0.54 -0.65 0.00 0.00 0.00 0.00 54.91 53.72 2a7o h ALA 101 Cb 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 17.64 2a7o h ALA 101 CO 0.00 0.20 -0.81 0.08 0.00 0.00 0.00 179.25 178.72 2a7o s VAL 102 N -2.94 2.55 -0.71 0.00 1.01 -1.26 -0.37 120.40 118.68 2a7o s VAL 102 Ca -0.15 -1.89 -0.27 0.00 0.00 0.00 0.00 61.98 59.67 2a7o s VAL 102 Cb 0.01 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.20 2a7o s VAL 102 CO 0.77 -0.08 1.25 -0.47 0.00 0.00 0.00 175.10 176.57 2a7o s TYR 103 N -1.58 2.35 -0.58 5.22 5.04 0.88 -4.59 117.35 124.10 2a7o s TYR 103 Ca 0.21 -0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.81 2a7o s TYR 103 Cb -0.08 -4.59 0.15 0.00 0.35 0.00 0.00 41.96 37.78 2a7o s TYR 103 CO 0.11 -1.98 0.38 0.15 -1.34 0.00 0.00 175.55 172.86 2a7o s LYS 104 N 5.53 2.39 0.57 4.97 1.02 -1.26 -4.55 119.74 128.42 2a7o s LYS 104 Ca 0.35 -2.43 0.39 0.00 0.02 0.00 0.00 55.97 54.30 2a7o s LYS 104 Cb -0.08 -3.65 2.08 0.00 -0.52 0.00 0.00 37.83 35.65 2a7o s LYS 104 CO 0.16 -1.15 2.18 -1.00 -0.92 0.00 0.00 175.35 174.63 2a7o h PRO 105 N 7.12 0.00 -0.00 -1.68 0.13 -1.97 0.20 132.00 135.80 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 0.96 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 2a7o h PRO 105 CO 0.70 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 179.34 2a7o h LYS 106 N 0.00 0.00 0.00 0.86 6.56 -2.02 -0.47 116.57 121.50 2a7o h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2a7o h LYS 106 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 2a7o h LYS 106 CO 0.00 0.00 -0.63 0.39 -2.06 0.00 0.00 179.45 177.15 2a7o n GLU 107 N -3.50 0.10 -0.73 3.15 -0.58 0.69 -4.96 120.64 114.81 2a7o n GLU 107 Ca -0.03 0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.43 2a7o n GLU 107 Cb 0.08 -1.55 0.20 0.00 -0.57 0.00 0.00 31.44 29.60 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 -3.40 2.05 0.00 1.62 2.15 -0.19 -5.00 116.67 113.91 2a7o s ASP 108 Ca 0.09 1.70 0.00 0.00 0.43 0.00 0.00 52.55 54.77 2a7o s ASP 108 Cb 0.16 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2a7o s ASP 108 CO 0.73 -3.56 0.34 1.07 -0.17 0.00 0.00 175.17 173.57