#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a7o n SER 11 N 0.00 0.00 0.15 3.42 7.64 -1.26 -1.35 113.62 122.22 2a7o n SER 11 Ca 0.00 0.18 -0.14 0.00 1.01 0.00 0.00 58.87 59.92 2a7o n SER 11 Cb 0.00 -0.39 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 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 -0.30 0.34 6.43 4.64 -2.01 -2.21 113.55 120.44 2a7o h SER 12 Ca 0.00 -0.14 -0.33 0.00 -0.47 0.00 0.00 61.79 60.86 2a7o h SER 12 Cb 0.37 0.08 0.03 0.00 -0.31 0.00 0.00 62.40 62.57 2a7o h SER 12 CO 0.00 -0.03 -1.45 1.05 -0.87 0.00 0.00 176.83 175.52 2a7o h GLU 13 N -0.58 0.47 -0.63 4.77 4.11 -1.97 -2.62 114.58 118.13 2a7o h GLU 13 Ca -0.04 -0.80 0.04 0.00 0.07 0.00 0.00 59.36 58.63 2a7o h GLU 13 Cb 0.42 0.30 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 2a7o h GLU 13 CO 0.06 1.38 0.37 1.25 0.07 0.00 0.00 179.01 182.14 2a7o h LEU 14 N 0.13 0.59 0.00 3.06 6.46 -1.31 -1.14 115.31 123.10 2a7o h LEU 14 Ca -0.24 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.53 2a7o h LEU 14 Cb 2.12 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.94 2a7o h LEU 14 CO 0.25 0.40 -0.37 0.00 -0.62 0.00 0.00 178.44 178.11 2a7o n ALA 15 N -2.32 2.93 -0.18 1.25 0.00 -0.83 -2.23 120.51 119.13 2a7o n ALA 15 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.26 2a7o n ALA 15 Cb 0.11 -1.26 0.19 0.00 0.00 0.00 0.00 19.45 18.50 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 0.93 0.08 0.00 3.64 -0.80 0.41 116.57 120.82 2a7o h LYS 16 Ca 0.00 -0.14 -0.27 0.00 -1.27 0.00 0.00 60.65 58.97 2a7o h LYS 16 Cb 0.61 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2a7o h LYS 16 CO 0.00 0.75 -1.14 0.87 -2.27 0.00 0.00 179.45 177.66 2a7o h LYS 17 N 0.92 0.47 0.00 1.90 6.56 -1.41 -3.21 116.57 121.80 2a7o h LYS 17 Ca 0.22 -0.61 -0.04 0.00 -1.06 0.00 0.00 60.65 59.17 2a7o h LYS 17 Cb 0.15 0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 2a7o h LYS 17 CO -0.02 1.24 -0.17 0.77 -2.06 0.00 0.00 179.45 179.21 2a7o h SER 18 N 0.22 0.00 0.23 0.86 0.02 -0.83 -0.56 113.55 113.48 2a7o h SER 18 Ca -0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2a7o h SER 18 Cb 1.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.35 2a7o h SER 18 CO 0.20 0.17 -0.11 0.11 -1.14 0.00 0.00 176.83 176.06 2a7o h LYS 19 N 0.00 -0.30 -0.30 3.45 1.79 -0.23 0.32 116.57 121.30 2a7o h LYS 19 Ca -0.00 0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.35 2a7o h LYS 19 Cb 0.33 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 2a7o h LYS 19 CO 0.02 -0.12 -0.38 1.05 -1.08 0.00 0.00 179.45 178.94 2a7o h GLU 20 N -0.42 0.72 0.12 3.15 4.11 -1.52 0.17 114.58 120.91 2a7o h GLU 20 Ca -0.03 -0.36 -0.01 0.00 0.07 0.00 0.00 59.36 59.03 2a7o h GLU 20 Cb 0.32 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2a7o h GLU 20 CO 0.05 0.98 -0.06 0.28 0.07 0.00 0.00 179.01 180.33 2a7o h VAL 21 N 0.59 1.03 0.32 -1.06 2.07 -1.01 -0.33 116.25 117.87 2a7o h VAL 21 Ca 0.05 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2a7o h VAL 21 Cb 0.92 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2a7o h VAL 21 CO 0.08 0.15 -0.15 0.15 0.02 0.00 0.00 177.57 177.82 2a7o h PHE 22 N -0.46 -0.40 -0.53 1.57 3.57 -0.31 -0.93 116.94 119.46 2a7o h PHE 22 Ca -0.02 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2a7o h PHE 22 Cb 0.37 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 2a7o h PHE 22 CO 0.02 -0.24 0.36 0.07 -2.23 0.00 0.00 178.31 176.28 2a7o h ARG 23 N -0.44 0.52 -0.04 1.11 0.11 -0.67 0.11 114.38 115.08 2a7o h ARG 23 Ca -0.04 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.00 2a7o h ARG 23 Cb 0.33 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.30 2a7o h ARG 23 CO 0.07 0.34 -0.00 -0.22 0.10 0.00 0.00 179.97 180.26 2a7o h LYS 24 N 0.53 0.07 0.00 0.08 3.64 -0.35 0.28 116.57 120.81 2a7o h LYS 24 Ca 0.23 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2a7o h LYS 24 Cb 0.23 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2a7o h LYS 24 CO -0.06 0.38 -0.47 1.05 -2.27 0.00 0.00 179.45 178.08 2a7o h GLU 25 N -0.25 0.00 0.08 1.90 4.11 -0.67 -1.21 114.58 118.54 2a7o h GLU 25 Ca 0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.19 2a7o h GLU 25 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2a7o h GLU 25 CO 0.00 0.47 -1.11 1.98 0.07 0.00 0.00 179.01 180.42 2a7o h MET 26 N 0.00 0.33 -0.82 1.06 4.05 -0.70 -1.25 114.93 117.59 2a7o h MET 26 Ca -0.00 -0.45 -0.01 0.00 -0.28 0.00 0.00 59.70 58.95 2a7o h MET 26 Cb 0.97 0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.88 2a7o h MET 26 CO 0.06 1.17 0.47 0.77 0.23 0.00 0.00 176.91 179.61 2a7o h SER 27 N 0.14 1.01 -0.12 1.39 0.02 -0.07 0.32 113.55 116.23 2a7o h SER 27 Ca -0.11 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.66 2a7o h SER 27 Cb 1.80 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.08 2a7o h SER 27 CO 0.19 0.80 -0.30 0.06 -1.14 0.00 0.00 176.83 176.44 2a7o h GLN 28 N 1.14 0.42 -0.25 3.45 3.07 -1.23 0.22 115.11 121.93 2a7o h GLN 28 Ca 0.29 -0.29 0.06 0.00 0.09 0.00 0.00 58.65 58.80 2a7o h GLN 28 Cb 0.00 0.04 -0.06 0.00 0.08 0.00 0.00 27.48 27.54 2a7o h GLN 28 CO -0.05 0.90 -0.15 0.35 0.09 0.00 0.00 178.83 179.97 2a7o h PHE 29 N 0.00 -0.36 -0.28 0.06 3.57 -0.97 0.23 116.94 119.20 2a7o h PHE 29 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2a7o h PHE 29 Cb 0.91 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2a7o h PHE 29 CO 0.11 -0.22 0.12 0.82 -2.23 0.00 0.00 178.31 176.91 2a7o h ILE 30 N -0.13 1.17 -0.57 1.41 2.04 -0.27 0.33 117.51 121.50 2a7o h ILE 30 Ca 0.14 -0.51 0.11 0.00 1.00 0.00 0.00 64.86 65.60 2a7o h ILE 30 Cb 0.33 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 2a7o h ILE 30 CO -0.33 0.18 0.05 0.58 0.00 0.00 0.00 178.15 178.63 2a7o h VAL 31 N 0.30 0.59 -0.63 1.67 2.07 -0.12 0.28 116.25 120.42 2a7o h VAL 31 Ca 0.09 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2a7o h VAL 31 Cb 0.17 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2a7o h VAL 31 CO -0.01 0.03 0.31 -0.61 0.02 0.00 0.00 177.57 177.31 2a7o h GLN 32 N 0.17 0.90 -0.46 1.57 -0.00 -0.11 0.44 115.11 117.61 2a7o h GLN 32 Ca 0.29 -0.13 -0.05 0.00 -0.00 0.00 0.00 58.65 58.77 2a7o h GLN 32 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.75 2a7o h GLN 32 CO -0.44 0.71 0.08 0.00 0.00 0.00 0.00 178.83 179.18 2a7o h LEU 34 N 0.68 0.00 -0.99 0.00 3.38 0.24 -3.36 115.31 115.26 2a7o h LEU 34 Ca 0.15 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.31 2a7o h LEU 34 Cb 0.31 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.88 2a7o h LEU 34 CO 0.00 0.10 -0.27 0.78 0.09 0.00 0.00 178.44 179.14 2a7o h ASN 35 N 0.00 -0.99 0.60 -0.43 2.35 -0.48 0.16 115.58 116.79 2a7o h ASN 35 Ca -0.00 0.30 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2a7o h ASN 35 Cb 1.07 0.63 0.00 0.00 0.05 0.00 0.00 38.32 40.08 2a7o h ASN 35 CO 0.01 -0.32 0.00 -0.81 -1.65 0.00 0.00 177.43 174.66 2a7o n PRO 36 N -5.60 0.12 0.07 0.81 -0.04 -1.26 -2.63 135.00 126.46 2a7o n PRO 36 Ca 0.15 0.37 0.04 0.00 -0.04 0.00 0.00 63.50 64.02 2a7o n PRO 36 Cb 0.48 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 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 -0.93 -3.29 116.97 111.29 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 0.40 -0.09 2.89 -0.00 0.00 0.00 178.16 181.36 2a7o n ARG 38 N -2.88 1.15 -2.35 4.88 1.85 -0.89 -0.13 116.66 118.29 2a7o n ARG 38 Ca -0.05 -0.56 -0.40 0.00 -1.00 0.00 0.00 57.85 55.84 2a7o n ARG 38 Cb 0.74 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.63 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 -2.23 4.48 0.00 2.89 -0.14 -1.23 -4.74 119.74 118.76 2a7o s LYS 39 Ca 0.34 1.92 0.12 0.00 -1.36 0.00 0.00 55.97 56.98 2a7o s LYS 39 Cb 0.20 -3.08 0.60 0.00 -1.68 0.00 0.00 37.83 33.88 2a7o s LYS 39 CO 0.42 0.03 1.28 -0.35 -0.76 0.00 0.00 175.35 175.96 2a7o n PRO 40 N 0.91 0.18 0.00 -1.68 -0.04 -1.26 -1.24 135.00 131.88 2a7o n PRO 40 Ca -0.00 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2a7o n PRO 40 Cb 0.44 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.27 2.00 -4.73 3.54 2.03 -1.26 -4.95 116.55 111.91 2a7o n ASP 41 Ca 0.06 -1.50 -0.42 0.00 0.52 0.00 0.00 54.79 53.45 2a7o n ASP 41 Cb 0.09 0.27 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 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 6.18 0.06 -3.43 0.00 6.56 -1.88 -3.43 116.57 120.62 2a7o h LYS 43 Ca -0.44 -0.10 -0.34 0.00 -1.06 0.00 0.00 60.65 58.71 2a7o h LYS 43 Cb 1.21 0.04 -0.37 0.00 -0.57 0.00 0.00 32.23 32.54 2a7o h LYS 43 CO 0.89 0.69 -0.74 0.54 -2.06 0.00 0.00 179.45 178.77 2a7o s VAL 44 N -2.60 -0.06 -0.62 0.50 0.11 -1.26 -4.42 120.40 112.05 2a7o s VAL 44 Ca -0.07 0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2a7o s VAL 44 Cb 0.08 -0.14 -0.00 0.00 -1.53 0.00 0.00 36.38 34.79 2a7o s VAL 44 CO 0.82 0.14 0.52 0.61 -3.33 0.00 0.00 175.10 173.86 2a7o n GLY 45 N 4.78 0.02 3.66 6.54 0.00 0.71 -4.85 105.19 116.05 2a7o n GLY 45 Ca -0.15 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.67 4.21 -0.12 1.61 3.52 0.25 -4.49 118.95 119.27 2a7o s ARG 46 Ca 0.01 1.79 -0.29 0.00 -0.13 0.00 0.00 55.73 57.11 2a7o s ARG 46 Cb -0.00 -3.83 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 2a7o s ARG 46 CO 0.38 -0.75 1.41 0.42 -0.81 0.00 0.00 175.30 175.95 2a7o s ILE 47 N 3.66 4.01 0.08 4.11 1.01 0.81 -0.03 121.20 134.86 2a7o s ILE 47 Ca 0.60 1.22 -0.29 0.00 0.00 0.00 0.00 60.65 62.18 2a7o s ILE 47 Cb -0.25 -3.79 -0.16 0.00 0.01 0.00 0.00 42.46 38.28 2a7o s ILE 47 CO 0.19 -0.11 1.67 0.71 0.00 0.00 0.00 174.94 177.40 2a7o h THR 48 N 5.52 0.58 -4.01 2.92 1.35 -1.89 -3.43 112.91 113.95 2a7o h THR 48 Ca -0.31 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.43 2a7o h THR 48 Cb 1.13 0.58 -0.14 0.00 -1.73 0.00 0.00 68.15 67.99 2a7o h THR 48 CO 0.96 0.00 -0.44 0.42 -0.25 0.00 0.00 175.52 176.21 2a7o s THR 49 N -6.10 0.11 0.32 6.82 -4.23 -1.26 -5.05 115.64 106.25 2a7o s THR 49 Ca -0.16 -1.48 -0.00 0.00 -1.18 0.00 0.00 61.69 58.87 2a7o s THR 49 Cb 0.05 -1.69 0.25 0.00 1.34 0.00 0.00 72.50 72.45 2a7o s THR 49 CO 0.64 -0.52 1.97 0.00 -0.54 0.00 0.00 174.62 176.17 2a7o h THR 50 N 2.74 1.20 -0.60 3.99 1.03 -1.98 0.12 112.91 119.41 2a7o h THR 50 Ca -0.33 -0.40 -0.03 0.00 -0.01 0.00 0.00 66.41 65.64 2a7o h THR 50 Cb 1.20 0.15 -0.03 0.00 -1.07 0.00 0.00 68.15 68.40 2a7o h THR 50 CO 0.55 0.20 0.24 -0.33 -0.01 0.00 0.00 175.52 176.17 2a7o h GLU 51 N 0.99 0.87 -0.27 0.00 3.07 -1.98 0.16 114.58 117.41 2a7o h GLU 51 Ca 0.26 -0.13 -0.19 0.00 -0.50 0.00 0.00 59.36 58.80 2a7o h GLU 51 Cb -0.08 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.68 2a7o h GLU 51 CO -0.05 0.71 -0.56 -0.44 -1.40 0.00 0.00 179.01 177.27 2a7o h ASP 52 N 0.85 0.96 -0.21 1.42 5.19 -1.62 0.78 116.42 123.80 2a7o h ASP 52 Ca 0.20 -0.54 0.04 0.00 -0.62 0.00 0.00 57.03 56.11 2a7o h ASP 52 Cb 0.17 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.37 2a7o h ASP 52 CO -0.02 1.32 -0.01 0.15 -3.12 0.00 0.00 179.24 177.57 2a7o h PHE 53 N 0.63 -0.02 -0.65 4.55 3.04 -0.30 0.11 116.94 124.30 2a7o h PHE 53 Ca 0.01 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.90 2a7o h PHE 53 Cb 1.17 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.70 2a7o h PHE 53 CO 0.08 -0.04 0.12 0.87 -2.02 0.00 0.00 178.31 177.32 2a7o h LYS 54 N 0.06 1.05 0.02 1.11 1.57 -0.47 0.20 116.57 120.11 2a7o h LYS 54 Ca 0.10 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2a7o h LYS 54 Cb 0.13 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2a7o h LYS 54 CO -0.18 0.95 -0.01 1.25 -0.57 0.00 0.00 179.45 180.89 2a7o h HIS 55 N 0.99 -0.03 -0.08 -1.35 2.76 -0.46 -0.98 115.15 115.99 2a7o h HIS 55 Ca 0.20 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2a7o h HIS 55 Cb 0.40 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.37 2a7o h HIS 55 CO 0.03 0.15 -0.00 1.25 -1.30 0.00 0.00 177.93 178.05 2a7o h LEU 56 N -0.20 0.15 -0.77 0.26 6.46 -0.65 -1.02 115.31 119.54 2a7o h LEU 56 Ca -0.00 -0.32 0.09 0.00 -0.12 0.00 0.00 57.88 57.53 2a7o h LEU 56 Cb 0.19 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.01 2a7o h LEU 56 CO 0.01 0.43 0.41 0.00 -0.62 0.00 0.00 178.44 178.67 2a7o h ALA 57 N 0.72 1.08 -0.34 1.25 0.00 -0.52 0.15 119.26 121.61 2a7o h ALA 57 Ca 0.02 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2a7o h ALA 57 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2a7o h ALA 57 CO 0.00 0.02 -0.46 0.07 0.00 0.00 0.00 179.25 178.89 2a7o h ARG 58 N 0.70 0.91 -0.51 0.00 0.11 -1.09 -1.38 114.38 113.11 2a7o h ARG 58 Ca 0.37 -0.52 -0.10 0.00 0.10 0.00 0.00 59.98 59.84 2a7o h ARG 58 Cb 0.37 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 2a7o h ARG 58 CO -0.26 1.17 -0.06 -0.22 0.10 0.00 0.00 179.97 180.71 2a7o h LYS 59 N 0.71 0.94 -0.55 0.08 3.64 -0.14 -0.37 116.57 120.87 2a7o h LYS 59 Ca 0.04 -0.33 -0.09 0.00 -1.27 0.00 0.00 60.65 59.00 2a7o h LYS 59 Cb 1.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 2a7o h LYS 59 CO 0.11 0.99 -0.02 -0.07 -2.27 0.00 0.00 179.45 178.18 2a7o h LEU 60 N 0.80 0.97 -0.70 5.20 3.38 -0.67 0.12 115.31 124.42 2a7o h LEU 60 Ca 0.14 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2a7o h LEU 60 Cb 0.60 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2a7o h LEU 60 CO 0.04 1.05 0.41 0.74 0.09 0.00 0.00 178.44 180.77 2a7o h THR 61 N 0.87 1.03 -0.07 0.22 2.02 -0.99 -1.08 112.91 114.90 2a7o h THR 61 Ca 0.15 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.94 2a7o h THR 61 Cb 0.57 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2a7o h THR 61 CO 0.03 0.14 -0.54 -0.74 0.37 0.00 0.00 175.52 174.78 2a7o h HIS 62 N 0.78 0.26 0.04 3.16 -0.00 -0.33 -1.33 115.15 117.73 2a7o h HIS 62 Ca 0.30 -0.09 -0.26 0.00 -0.00 0.00 0.00 60.37 60.32 2a7o h HIS 62 Cb 0.12 -0.05 0.01 0.00 -0.00 0.00 0.00 27.41 27.49 2a7o h HIS 62 CO -0.06 0.71 -1.07 0.78 -0.00 0.00 0.00 177.93 178.29 2a7o h GLY 63 N 1.43 0.56 0.98 5.26 0.00 -0.26 -0.79 103.07 110.24 2a7o h GLY 63 Ca 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 47.33 46.20 2a7o h GLY 63 CO 0.08 0.94 0.01 -2.08 0.00 0.00 0.00 176.54 175.49 2a7o h VAL 64 N 0.25 1.26 0.23 4.60 2.07 -1.10 0.23 116.25 123.80 2a7o h VAL 64 Ca -0.12 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 2a7o h VAL 64 Cb 1.72 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 2a7o h VAL 64 CO 0.19 0.36 -0.18 -0.03 0.02 0.00 0.00 177.57 177.93 2a7o h MET 65 N 0.65 -0.41 -0.58 1.57 -1.53 -1.24 -0.33 114.93 113.05 2a7o h MET 65 Ca 0.13 0.03 -0.10 0.00 -3.44 0.00 0.00 59.70 56.32 2a7o h MET 65 Cb 0.49 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.61 2a7o h MET 65 CO 0.02 -0.27 -0.04 -0.91 0.14 0.00 0.00 176.91 175.85 2a7o h ASN 66 N -0.43 1.03 -0.48 1.39 2.35 -1.07 0.92 115.58 119.29 2a7o h ASN 66 Ca -0.01 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 2a7o h ASN 66 Cb 0.38 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2a7o h ASN 66 CO -0.01 1.10 0.28 0.50 -1.65 0.00 0.00 177.43 177.64 2a7o h LYS 67 N 0.94 0.66 -0.05 0.81 3.64 -0.57 0.06 116.57 122.07 2a7o h LYS 67 Ca 0.16 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.27 2a7o h LYS 67 Cb 0.59 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2a7o h LYS 67 CO 0.04 0.50 -0.80 1.05 -2.27 0.00 0.00 179.45 177.96 2a7o h GLU 68 N 0.64 0.41 -0.74 1.90 4.11 -0.88 -1.33 114.58 118.69 2a7o h GLU 68 Ca 0.17 -0.37 0.16 0.00 0.07 0.00 0.00 59.36 59.40 2a7o h GLU 68 Cb 0.02 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 2a7o h GLU 68 CO -0.03 1.02 0.50 -0.07 0.07 0.00 0.00 179.01 180.50 2a7o h LEU 69 N 0.26 0.29 -0.07 3.06 -0.00 -0.26 0.90 115.31 119.49 2a7o h LEU 69 Ca -0.05 0.02 -0.25 0.00 -0.00 0.00 0.00 57.88 57.60 2a7o h LEU 69 Cb 1.40 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 42.04 2a7o h LEU 69 CO 0.14 0.14 -1.01 0.11 -0.00 0.00 0.00 178.44 177.82 2a7o h LYS 70 N 0.30 0.58 0.11 1.13 1.57 -0.17 -1.06 116.57 119.03 2a7o h LYS 70 Ca 0.36 -0.62 -0.30 0.00 -1.87 0.00 0.00 60.65 58.21 2a7o h LYS 70 Cb 0.98 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2a7o h LYS 70 CO -0.09 1.24 -1.53 1.88 -0.57 0.00 0.00 179.45 180.37 2a7o h TYR 71 N 0.32 0.42 0.06 -1.35 -1.99 -0.39 -3.38 116.97 110.65 2a7o h TYR 71 Ca -0.11 -0.31 -0.10 0.00 2.00 0.00 0.00 58.73 60.22 2a7o h TYR 71 Cb 1.65 -0.02 0.01 0.00 2.00 0.00 0.00 36.73 40.37 2a7o h TYR 71 CO 0.08 1.36 -0.45 0.00 -0.00 0.00 0.00 178.16 179.16 2a7o n LYS 73 N -4.39 0.00 -4.02 0.00 5.02 -0.40 -4.83 118.16 109.55 2a7o n LYS 73 Ca -0.14 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.81 2a7o n LYS 73 Cb 0.64 -0.37 -0.14 0.00 -0.02 0.00 0.00 35.03 35.14 2a7o n LYS 73 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2a7o s ASN 74 N 0.00 4.33 0.00 4.39 2.20 -1.26 -4.99 114.94 119.61 2a7o s ASN 74 Ca 0.00 -0.36 0.06 0.00 -0.94 0.00 0.00 52.86 51.62 2a7o s ASN 74 Cb 0.00 -1.74 0.36 0.00 -2.00 0.00 0.00 41.25 37.88 2a7o s ASN 74 CO 0.00 0.01 0.96 -0.81 -2.94 0.00 0.00 177.10 174.32 2a7o n PRO 75 N 4.59 0.68 0.10 3.55 -0.04 -1.26 -2.37 135.00 140.24 2a7o n PRO 75 Ca -0.18 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2a7o n PRO 75 Cb 0.51 -1.14 0.45 0.00 -0.04 0.00 0.00 33.50 33.28 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 -0.64 0.15 -0.10 0.54 2.13 -1.26 -1.47 120.64 120.00 2a7o n GLU 76 Ca 0.05 0.37 0.06 0.00 0.66 0.00 0.00 57.16 58.30 2a7o n GLU 76 Cb 0.02 -1.78 0.11 0.00 0.27 0.00 0.00 31.44 30.06 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 -2.07 2.54 -4.37 4.31 2.03 -1.00 -4.84 116.55 113.16 2a7o n ASP 77 Ca 0.03 -1.76 -0.45 0.00 0.52 0.00 0.00 54.79 53.13 2a7o n ASP 77 Cb 0.23 -0.13 -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 -1.03 5.64 -0.03 -2.67 2.96 -0.54 -4.99 118.68 118.02 2a7o s LEU 78 Ca 0.21 -1.46 -0.08 0.00 -0.22 0.00 0.00 54.13 52.57 2a7o s LEU 78 Cb 0.12 -2.27 0.01 0.00 0.50 0.00 0.00 46.19 44.55 2a7o s LEU 78 CO 0.17 -0.91 0.19 -0.70 -1.32 0.00 0.00 176.35 173.77 2a7o s GLU 79 N 2.13 0.43 -1.33 1.98 2.56 -1.26 -4.86 118.70 118.35 2a7o s GLU 79 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 54.97 54.78 2a7o s GLU 79 Cb -0.25 0.19 0.11 0.00 2.00 0.00 0.00 34.13 36.18 2a7o s GLU 79 CO 0.06 -0.10 1.89 0.00 -0.56 0.00 0.00 175.26 176.55 2a7o n ASN 81 N 5.62 1.79 -0.09 0.00 0.23 -1.26 -4.83 115.26 116.72 2a7o n ASN 81 Ca 0.45 -2.28 -0.08 0.00 -0.53 0.00 0.00 54.58 52.14 2a7o n ASN 81 Cb 0.40 -0.30 -0.01 0.00 -2.08 0.00 0.00 39.78 37.78 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 -0.24 -0.27 -3.83 3.07 -1.97 0.62 114.58 111.96 2a7o h GLU 82 Ca -0.23 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 58.71 2a7o h GLU 82 Cb 1.01 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.91 2a7o h GLU 82 CO 0.33 -0.16 -0.15 -0.97 -1.40 0.00 0.00 179.01 176.66 2a7o h ASN 83 N -0.25 -0.50 -0.18 1.42 -1.24 -1.95 0.32 115.58 113.21 2a7o h ASN 83 Ca 0.16 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 2a7o h ASN 83 Cb 0.51 0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 2a7o h ASN 83 CO -0.47 -0.19 0.09 0.58 -1.29 0.00 0.00 177.43 176.15 2a7o h VAL 84 N -0.12 1.12 -0.26 2.57 2.07 -1.59 -1.56 116.25 118.47 2a7o h VAL 84 Ca 0.14 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.36 2a7o h VAL 84 Cb 0.34 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2a7o h VAL 84 CO -0.34 0.12 -0.05 0.11 0.02 0.00 0.00 177.57 177.42 2a7o h LYS 85 N 0.17 0.02 0.16 1.57 1.57 0.82 0.17 116.57 121.03 2a7o h LYS 85 Ca 0.06 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2a7o h LYS 85 Cb 0.11 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2a7o h LYS 85 CO -0.01 0.01 -0.28 1.25 -0.57 0.00 0.00 179.45 179.86 2a7o h HIS 86 N 0.02 -0.74 -0.09 -1.35 2.76 -0.19 -0.30 115.15 115.24 2a7o h HIS 86 Ca 0.13 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.27 2a7o h HIS 86 Cb 0.19 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.45 2a7o h HIS 86 CO -0.25 -0.39 -0.14 0.87 -1.30 0.00 0.00 177.93 176.72 2a7o h LYS 87 N -0.51 0.14 0.51 5.26 1.57 -0.85 -1.62 116.57 121.06 2a7o h LYS 87 Ca 0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2a7o h LYS 87 Cb 0.52 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2a7o h LYS 87 CO -0.13 0.29 -0.24 1.15 -0.57 0.00 0.00 179.45 179.94 2a7o h THR 88 N 0.14 0.03 -0.06 -0.16 2.02 -0.01 0.12 112.91 114.99 2a7o h THR 88 Ca 0.03 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 2a7o h THR 88 Cb 0.34 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2a7o h THR 88 CO 0.02 0.01 -0.20 0.07 0.37 0.00 0.00 175.52 175.79 2a7o h LYS 89 N -1.17 0.10 -0.69 6.66 5.09 -1.01 0.39 116.57 125.94 2a7o h LYS 89 Ca -0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 60.65 60.59 2a7o h LYS 89 Cb 0.54 -0.01 -0.03 0.00 0.10 0.00 0.00 32.23 32.82 2a7o h LYS 89 CO 0.11 0.30 0.22 0.93 -2.09 0.00 0.00 179.45 178.93 2a7o h GLU 90 N 0.10 1.07 -0.19 0.07 5.08 -1.25 -0.97 114.58 118.49 2a7o h GLU 90 Ca 0.02 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2a7o h GLU 90 Cb 0.41 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2a7o h GLU 90 CO 0.03 0.92 -0.04 -0.92 -1.00 0.00 0.00 179.01 178.00 2a7o h TYR 91 N 1.00 0.41 -0.14 4.33 3.20 0.93 -1.59 116.97 125.11 2a7o h TYR 91 Ca 0.22 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.05 2a7o h TYR 91 Cb 0.30 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.40 2a7o h TYR 91 CO 0.02 0.61 -0.37 0.82 -1.64 0.00 0.00 178.16 177.60 2a7o h ILE 92 N 0.09 0.22 -0.06 1.81 1.08 -0.19 0.45 117.51 120.91 2a7o h ILE 92 Ca 0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2a7o h ILE 92 Cb 0.47 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 34.39 2a7o h ILE 92 CO 0.02 0.00 -0.23 0.11 -0.69 0.00 0.00 178.15 177.36 2a7o h LYS 93 N -0.43 -0.32 -0.14 2.37 1.57 -1.05 0.12 116.57 118.69 2a7o h LYS 93 Ca 0.09 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2a7o h LYS 93 Cb 0.58 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2a7o h LYS 93 CO -0.38 -0.21 -0.24 -0.22 -0.57 0.00 0.00 179.45 177.83 2a7o h LYS 94 N -0.33 0.25 0.14 3.15 1.63 -0.75 -1.08 116.57 119.57 2a7o h LYS 94 Ca 0.08 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2a7o h LYS 94 Cb 0.44 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2a7o h LYS 94 CO -0.25 0.48 -0.07 -0.92 -3.45 0.00 0.00 179.45 175.24 2a7o h TYR 95 N 0.23 -0.17 0.00 1.91 3.20 0.59 -2.97 116.97 119.76 2a7o h TYR 95 Ca 0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2a7o h TYR 95 Cb 0.55 0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2a7o h TYR 95 CO 0.01 0.13 0.00 0.52 -1.64 0.00 0.00 178.16 177.17 2a7o h MET 96 N -0.47 0.00 0.00 1.82 2.86 0.32 -2.09 114.93 117.37 2a7o h MET 96 Ca -0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2a7o h MET 96 Cb 0.37 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 2a7o h MET 96 CO 0.03 0.00 -0.05 1.96 1.06 0.00 0.00 176.91 179.91 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.07 -2.36 115.11 114.48 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 0.32 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2a7o h GLN 97 CO 0.00 0.05 -0.36 1.57 -0.95 0.00 0.00 178.83 179.14 2a7o h LYS 98 N 0.00 0.00 -0.36 1.46 5.09 -1.47 -3.21 116.57 118.09 2a7o h LYS 98 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.57 2a7o h LYS 98 Cb 0.18 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.51 2a7o h LYS 98 CO 0.01 0.36 -0.43 0.74 -2.09 0.00 0.00 179.45 178.04 2a7o h PHE 99 N 0.00 1.13 0.00 0.07 0.04 -1.58 -3.49 116.94 113.10 2a7o h PHE 99 Ca -0.00 -0.35 0.00 0.00 2.80 0.00 0.00 57.97 60.41 2a7o h PHE 99 Cb 1.21 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.13 2a7o h PHE 99 CO 0.00 1.19 0.00 0.41 -0.60 0.00 0.00 178.31 179.31 2a7o n GLY 100 N 0.19 0.61 0.12 -1.45 0.00 -1.21 -4.47 105.19 98.98 2a7o n GLY 100 Ca -0.03 -1.25 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.99 4.61 0.00 -1.92 0.20 119.26 119.18 2a7o h ALA 101 Ca 0.00 -0.87 -0.64 0.00 0.00 0.00 0.00 54.91 53.40 2a7o h ALA 101 Cb 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 17.79 17.89 2a7o h ALA 101 CO 0.00 0.58 -0.79 0.08 0.00 0.00 0.00 179.25 179.12 2a7o s VAL 102 N -2.45 2.57 -0.69 0.00 1.01 -1.26 -0.58 120.40 118.99 2a7o s VAL 102 Ca -0.16 -2.01 -0.25 0.00 0.00 0.00 0.00 61.98 59.56 2a7o s VAL 102 Cb 0.02 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.19 2a7o s VAL 102 CO 0.80 -0.16 1.12 -0.47 0.00 0.00 0.00 175.10 176.39 2a7o s TYR 103 N -1.81 2.48 -0.58 5.22 5.04 0.96 -4.53 117.35 124.13 2a7o s TYR 103 Ca 0.23 -0.27 -0.04 0.00 -2.44 0.00 0.00 57.07 54.55 2a7o s TYR 103 Cb -0.08 -4.46 0.15 0.00 0.35 0.00 0.00 41.96 37.93 2a7o s TYR 103 CO 0.12 -1.85 0.40 0.15 -1.34 0.00 0.00 175.55 173.03 2a7o s LYS 104 N 4.90 2.49 0.17 4.97 1.02 -1.26 -4.52 119.74 127.51 2a7o s LYS 104 Ca 0.29 -2.34 0.14 0.00 0.02 0.00 0.00 55.97 54.07 2a7o s LYS 104 Cb -0.12 -3.74 0.69 0.00 -0.52 0.00 0.00 37.83 34.14 2a7o s LYS 104 CO 0.13 -1.16 1.42 -0.35 -0.92 0.00 0.00 175.35 174.47 2a7o n PRO 105 N 3.81 0.09 0.33 -1.68 -0.04 -1.26 -0.37 135.00 135.87 2a7o n PRO 105 Ca 0.05 0.53 0.20 0.00 -0.04 0.00 0.00 63.50 64.25 2a7o n PRO 105 Cb 0.39 -1.75 1.09 0.00 -0.04 0.00 0.00 33.50 33.19 2a7o n PRO 105 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2a7o h LYS 106 N 0.00 0.00 -0.01 0.54 6.56 -2.02 0.71 116.57 122.36 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 0.06 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.72 2a7o h LYS 106 CO 0.00 0.00 -0.53 0.39 -2.06 0.00 0.00 179.45 177.25 2a7o n GLU 107 N -3.12 0.62 -1.50 3.15 -0.58 0.50 -5.01 120.64 114.70 2a7o n GLU 107 Ca -0.02 -0.46 -0.37 0.00 -0.42 0.00 0.00 57.16 55.89 2a7o n GLU 107 Cb 0.16 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 29.61 2a7o n GLU 107 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2a7o n ASP 108 N -0.79 0.73 -0.20 1.62 2.03 0.24 -4.98 116.55 115.21 2a7o n ASP 108 Ca 0.08 0.73 0.15 0.00 0.52 0.00 0.00 54.79 56.28 2a7o n ASP 108 Cb 0.38 -1.41 0.78 0.00 -0.72 0.00 0.00 41.12 40.14 2a7o n ASP 108 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63