#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 -0.02 3.42 7.64 -1.26 -1.09 113.62 122.31 2a7o n SER 11 Ca 0.00 -0.70 -0.11 0.00 1.01 0.00 0.00 58.87 59.07 2a7o n SER 11 Cb 0.00 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.03 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 -0.06 0.46 6.43 4.64 -1.99 -3.13 113.55 119.90 2a7o h SER 12 Ca 0.00 -0.59 -0.30 0.00 -0.47 0.00 0.00 61.79 60.43 2a7o h SER 12 Cb 0.07 0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 2a7o h SER 12 CO 0.00 0.64 -1.39 1.05 -0.87 0.00 0.00 176.83 176.26 2a7o h GLU 13 N -0.85 0.37 -0.81 4.77 4.11 -1.94 -2.84 114.58 117.39 2a7o h GLU 13 Ca -0.01 -0.63 0.05 0.00 0.07 0.00 0.00 59.36 58.84 2a7o h GLU 13 Cb 0.65 0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 2a7o h GLU 13 CO 0.01 1.29 0.53 1.25 0.07 0.00 0.00 179.01 182.16 2a7o h LEU 14 N 0.10 0.83 0.00 3.06 6.46 -1.28 -0.40 115.31 124.08 2a7o h LEU 14 Ca -0.20 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2a7o h LEU 14 Cb 2.05 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.80 2a7o h LEU 14 CO 0.22 0.56 -0.20 0.00 -0.62 0.00 0.00 178.44 178.40 2a7o n ALA 15 N -2.42 2.70 0.03 1.25 0.00 -1.18 -1.74 120.51 119.15 2a7o n ALA 15 Ca 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.40 2a7o n ALA 15 Cb 0.15 -1.35 0.35 0.00 0.00 0.00 0.00 19.45 18.61 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 0.45 0.09 0.00 3.64 -0.80 0.31 116.57 120.25 2a7o h LYS 16 Ca 0.00 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.15 2a7o h LYS 16 Cb 0.57 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2a7o h LYS 16 CO 0.00 0.46 -0.69 0.87 -2.27 0.00 0.00 179.45 177.81 2a7o h LYS 17 N 0.43 0.20 -0.20 1.90 6.56 -1.44 -3.35 116.57 120.66 2a7o h LYS 17 Ca 0.10 -0.33 -0.03 0.00 -1.06 0.00 0.00 60.65 59.33 2a7o h LYS 17 Cb 0.26 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 2a7o h LYS 17 CO 0.00 1.16 0.00 0.77 -2.06 0.00 0.00 179.45 179.33 2a7o h SER 18 N -0.57 0.26 0.11 0.86 0.02 -0.77 -0.31 113.55 113.15 2a7o h SER 18 Ca -0.14 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 2a7o h SER 18 Cb 1.47 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 2a7o h SER 18 CO 0.08 0.31 -0.27 0.11 -1.14 0.00 0.00 176.83 175.92 2a7o h LYS 19 N 0.28 0.27 -0.04 3.45 1.57 -0.57 0.51 116.57 122.04 2a7o h LYS 19 Ca 0.07 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2a7o h LYS 19 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2a7o h LYS 19 CO 0.00 0.53 -0.30 0.93 -0.57 0.00 0.00 179.45 180.04 2a7o h GLU 20 N 0.24 0.27 -0.69 3.15 4.39 -1.36 0.28 114.58 120.86 2a7o h GLU 20 Ca 0.04 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2a7o h GLU 20 Cb 0.61 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2a7o h GLU 20 CO 0.04 0.91 0.44 0.28 -1.16 0.00 0.00 179.01 179.53 2a7o h VAL 21 N -0.28 1.19 0.35 3.13 2.07 -0.90 0.37 116.25 122.17 2a7o h VAL 21 Ca -0.03 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2a7o h VAL 21 Cb 0.98 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2a7o h VAL 21 CO 0.06 0.19 -0.17 0.15 0.02 0.00 0.00 177.57 177.82 2a7o h PHE 22 N 0.94 -0.43 0.00 1.57 3.57 0.15 -0.87 116.94 121.87 2a7o h PHE 22 Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2a7o h PHE 22 Cb -0.07 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 2a7o h PHE 22 CO -0.02 -0.15 -0.04 0.07 -2.23 0.00 0.00 178.31 175.95 2a7o h ARG 23 N -0.68 0.00 -0.10 1.11 0.11 -0.28 0.08 114.38 114.61 2a7o h ARG 23 Ca -0.05 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 2a7o h ARG 23 Cb 0.48 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.56 2a7o h ARG 23 CO 0.08 0.04 -0.26 0.87 0.10 0.00 0.00 179.97 180.80 2a7o h LYS 24 N 0.00 0.36 -0.44 0.08 1.79 -0.31 0.52 116.57 118.57 2a7o h LYS 24 Ca -0.00 -0.25 -0.05 0.00 -2.18 0.00 0.00 60.65 58.18 2a7o h LYS 24 Cb 0.07 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 2a7o h LYS 24 CO 0.00 0.86 0.10 0.93 -1.08 0.00 0.00 179.45 180.26 2a7o h GLU 25 N -0.08 0.71 -0.23 3.15 4.39 -0.47 -1.32 114.58 120.73 2a7o h GLU 25 Ca -0.00 -0.18 -0.20 0.00 0.34 0.00 0.00 59.36 59.33 2a7o h GLU 25 Cb 0.86 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2a7o h GLU 25 CO 0.06 0.72 -0.63 1.98 -1.16 0.00 0.00 179.01 179.97 2a7o h MET 26 N 0.58 0.80 -0.76 2.33 4.05 -1.06 0.37 114.93 121.23 2a7o h MET 26 Ca 0.14 -0.55 -0.03 0.00 -0.28 0.00 0.00 59.70 58.97 2a7o h MET 26 Cb 0.34 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 2a7o h MET 26 CO 0.00 1.18 0.36 0.66 0.23 0.00 0.00 176.91 179.34 2a7o h SER 27 N 0.59 1.01 -0.22 1.39 4.64 -0.71 0.42 113.55 120.66 2a7o h SER 27 Ca -0.01 -0.14 -0.07 0.00 -0.47 0.00 0.00 61.79 61.10 2a7o h SER 27 Cb 1.24 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 2a7o h SER 27 CO 0.13 0.86 -0.13 0.06 -0.87 0.00 0.00 176.83 176.88 2a7o h GLN 28 N 1.08 0.49 -0.27 4.77 3.07 -1.14 0.27 115.11 123.38 2a7o h GLN 28 Ca 0.26 -0.22 0.04 0.00 0.09 0.00 0.00 58.65 58.82 2a7o h GLN 28 Cb 0.13 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.64 2a7o h GLN 28 CO -0.03 0.78 0.04 0.35 0.09 0.00 0.00 178.83 180.05 2a7o h PHE 29 N 0.19 0.06 -0.38 0.06 3.57 -0.68 0.13 116.94 119.89 2a7o h PHE 29 Ca 0.05 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2a7o h PHE 29 Cb 0.64 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 2a7o h PHE 29 CO 0.07 -0.00 0.15 0.82 -2.23 0.00 0.00 178.31 177.12 2a7o h ILE 30 N 0.13 1.19 -0.66 1.41 2.04 -0.04 0.80 117.51 122.39 2a7o h ILE 30 Ca 0.13 -0.59 0.11 0.00 1.00 0.00 0.00 64.86 65.51 2a7o h ILE 30 Cb 0.15 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 2a7o h ILE 30 CO -0.19 0.21 0.25 0.58 0.00 0.00 0.00 178.15 179.00 2a7o h VAL 31 N 0.46 0.73 -0.71 1.67 2.07 -0.16 0.44 116.25 120.76 2a7o h VAL 31 Ca 0.13 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2a7o h VAL 31 Cb 0.19 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 2a7o h VAL 31 CO -0.01 0.08 0.46 -0.61 0.02 0.00 0.00 177.57 177.50 2a7o h GLN 32 N 0.42 0.95 -0.31 1.57 5.75 -0.19 0.95 115.11 124.25 2a7o h GLN 32 Ca 0.34 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.68 2a7o h GLN 32 Cb 0.45 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 2a7o h GLN 32 CO -0.34 0.64 -0.20 0.00 -2.65 0.00 0.00 178.83 176.29 2a7o h LEU 34 N 0.52 0.00 -0.97 0.00 3.38 0.38 -3.36 115.31 115.25 2a7o h LEU 34 Ca 0.08 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.24 2a7o h LEU 34 Cb 0.63 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.20 2a7o h LEU 34 CO 0.04 0.21 -0.26 0.78 0.09 0.00 0.00 178.44 179.30 2a7o h ASN 35 N 0.00 -0.97 0.60 -0.43 2.35 -0.57 0.76 115.58 117.32 2a7o h ASN 35 Ca -0.00 0.29 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2a7o h ASN 35 Cb 1.15 0.62 0.00 0.00 0.05 0.00 0.00 38.32 40.14 2a7o h ASN 35 CO 0.03 -0.32 0.00 1.55 -1.65 0.00 0.00 177.43 177.04 2a7o h PRO 36 N -0.00 0.00 0.00 0.81 0.13 -1.75 -2.67 132.00 128.52 2a7o h PRO 36 Ca 0.45 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.40 2a7o h PRO 36 Cb 0.70 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.80 2a7o h PRO 36 CO -1.00 0.00 -1.26 1.88 -0.23 0.00 0.00 178.00 177.39 2a7o h TYR 37 N 0.00 0.00 -0.01 1.56 -1.99 -1.11 -3.28 116.97 112.14 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 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 2a7o h TYR 37 CO 0.00 0.67 -0.04 2.89 -0.00 0.00 0.00 178.16 181.68 2a7o n ARG 38 N -3.01 1.10 -2.37 4.88 1.85 -0.82 -0.01 116.66 118.28 2a7o n ARG 38 Ca -0.08 -0.39 -0.41 0.00 -1.00 0.00 0.00 57.85 55.97 2a7o n ARG 38 Cb 0.86 -1.49 -0.03 0.00 -1.05 0.00 0.00 32.46 30.75 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 -2.17 4.48 0.19 2.89 -0.14 -1.22 -4.72 119.74 119.05 2a7o s LYS 39 Ca 0.38 1.88 0.14 0.00 -1.36 0.00 0.00 55.97 57.01 2a7o s LYS 39 Cb 0.21 -3.24 0.72 0.00 -1.68 0.00 0.00 37.83 33.84 2a7o s LYS 39 CO 0.40 -0.10 1.43 -0.35 -0.76 0.00 0.00 175.35 175.97 2a7o n PRO 40 N 2.56 0.09 -0.35 -1.68 -0.04 -1.26 -1.02 135.00 133.30 2a7o n PRO 40 Ca 0.05 0.54 0.07 0.00 -0.04 0.00 0.00 63.50 64.12 2a7o n PRO 40 Cb 0.45 -1.77 0.23 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.95 3.60 -4.72 3.54 2.03 -1.26 -4.98 116.55 112.81 2a7o n ASP 41 Ca -0.00 -2.48 -0.42 0.00 0.52 0.00 0.00 54.79 52.41 2a7o n ASP 41 Cb 0.05 -0.41 -0.03 0.00 -0.72 0.00 0.00 41.12 40.01 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 6.73 0.00 -3.50 0.00 6.56 -1.90 -3.41 116.57 121.06 2a7o h LYS 43 Ca -0.43 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 58.81 2a7o h LYS 43 Cb 1.21 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 32.50 2a7o h LYS 43 CO 0.90 0.31 -0.74 0.54 -2.06 0.00 0.00 179.45 178.40 2a7o s VAL 44 N -3.03 0.02 -0.80 0.50 0.11 -1.25 -4.04 120.40 111.91 2a7o s VAL 44 Ca 0.01 0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 59.28 2a7o s VAL 44 Cb 0.08 -0.19 0.01 0.00 -1.53 0.00 0.00 36.38 34.74 2a7o s VAL 44 CO 0.77 0.15 0.69 0.61 -3.33 0.00 0.00 175.10 173.99 2a7o n GLY 45 N 4.71 0.05 3.65 6.54 0.00 0.88 -4.89 105.19 116.13 2a7o n GLY 45 Ca -0.16 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 -5.64 4.08 -0.32 1.61 3.00 0.41 -4.29 118.95 117.79 2a7o s ARG 46 Ca 0.30 1.93 -0.29 0.00 -1.00 0.00 0.00 55.73 56.67 2a7o s ARG 46 Cb -0.13 -3.96 0.01 0.00 0.00 0.00 0.00 34.95 30.87 2a7o s ARG 46 CO 0.43 -0.95 1.24 0.42 0.00 0.00 0.00 175.30 176.44 2a7o s ILE 47 N 4.28 4.23 0.09 4.11 1.01 0.99 -0.11 121.20 135.80 2a7o s ILE 47 Ca 0.69 1.38 -0.33 0.00 0.00 0.00 0.00 60.65 62.40 2a7o s ILE 47 Cb -0.29 -4.26 -0.15 0.00 0.01 0.00 0.00 42.46 37.77 2a7o s ILE 47 CO 0.26 -0.53 1.60 0.71 0.00 0.00 0.00 174.94 176.99 2a7o h THR 48 N 5.94 0.21 -4.15 2.92 1.35 -1.88 -3.42 112.91 113.88 2a7o h THR 48 Ca -0.24 0.00 -0.19 0.00 -0.55 0.00 0.00 66.41 65.42 2a7o h THR 48 Cb 1.09 0.21 -0.15 0.00 -1.73 0.00 0.00 68.15 67.57 2a7o h THR 48 CO 1.04 0.00 -0.67 0.42 -0.25 0.00 0.00 175.52 176.07 2a7o s THR 49 N -5.98 0.34 0.20 6.82 -4.23 -1.26 -5.05 115.64 106.48 2a7o s THR 49 Ca -0.17 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.33 2a7o s THR 49 Cb 0.05 -1.85 0.14 0.00 1.34 0.00 0.00 72.50 72.18 2a7o s THR 49 CO 0.62 -0.69 1.84 0.00 -0.54 0.00 0.00 174.62 175.86 2a7o h THR 50 N 2.93 1.21 -0.08 3.99 1.03 -1.98 0.12 112.91 120.12 2a7o h THR 50 Ca -0.35 -0.45 -0.05 0.00 -0.01 0.00 0.00 66.41 65.55 2a7o h THR 50 Cb 1.18 0.20 -0.01 0.00 -1.07 0.00 0.00 68.15 68.45 2a7o h THR 50 CO 0.63 0.21 -0.17 1.05 -0.01 0.00 0.00 175.52 177.23 2a7o h GLU 51 N 0.99 0.13 -0.15 0.00 9.09 -1.98 0.21 114.58 122.86 2a7o h GLU 51 Ca 0.26 -0.03 -0.16 0.00 0.05 0.00 0.00 59.36 59.48 2a7o h GLU 51 Cb -0.04 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.05 2a7o h GLU 51 CO -0.05 0.30 -0.52 -0.44 0.05 0.00 0.00 179.01 178.36 2a7o h ASP 52 N 0.12 0.72 -0.17 3.06 5.19 -1.71 0.11 116.42 123.75 2a7o h ASP 52 Ca 0.02 -0.60 0.04 0.00 -0.62 0.00 0.00 57.03 55.87 2a7o h ASP 52 Cb 0.38 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 2a7o h ASP 52 CO 0.03 1.20 -0.06 0.15 -3.12 0.00 0.00 179.24 177.44 2a7o h PHE 53 N 0.28 -0.13 -0.64 4.55 3.04 -0.13 0.16 116.94 124.06 2a7o h PHE 53 Ca -0.02 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2a7o h PHE 53 Cb 1.14 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 39.71 2a7o h PHE 53 CO 0.10 -0.10 0.30 0.87 -2.02 0.00 0.00 178.31 177.46 2a7o h LYS 54 N -0.03 0.93 -0.00 1.11 1.57 -0.56 0.97 116.57 120.56 2a7o h LYS 54 Ca 0.09 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2a7o h LYS 54 Cb 0.16 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2a7o h LYS 54 CO -0.19 0.75 0.00 1.25 -0.57 0.00 0.00 179.45 180.70 2a7o h HIS 55 N 0.89 0.00 -0.29 -1.35 2.76 -0.53 -1.06 115.15 115.57 2a7o h HIS 55 Ca 0.22 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.33 2a7o h HIS 55 Cb 0.13 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 2a7o h HIS 55 CO 0.00 0.10 -0.04 1.25 -1.30 0.00 0.00 177.93 177.94 2a7o h LEU 56 N -0.09 0.54 -1.01 0.26 6.46 -0.84 -1.41 115.31 119.22 2a7o h LEU 56 Ca 0.00 -0.34 0.11 0.00 -0.12 0.00 0.00 57.88 57.53 2a7o h LEU 56 Cb 0.09 -0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 39.80 2a7o h LEU 56 CO -0.00 0.75 0.64 0.00 -0.62 0.00 0.00 178.44 179.21 2a7o h ALA 57 N 0.80 1.49 0.09 1.25 0.00 -0.60 0.08 119.26 122.38 2a7o h ALA 57 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2a7o h ALA 57 Cb 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2a7o h ALA 57 CO 0.02 0.29 -0.04 0.00 0.00 0.00 0.00 179.25 179.52 2a7o h ARG 58 N 1.05 -0.12 -0.46 0.00 3.08 -0.92 -1.38 114.38 115.64 2a7o h ARG 58 Ca 0.48 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.59 2a7o h ARG 58 Cb 0.41 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2a7o h ARG 58 CO -0.24 0.08 0.21 0.87 -1.07 0.00 0.00 179.97 179.82 2a7o h LYS 59 N -0.30 0.41 -0.41 0.04 1.57 -0.15 -0.34 116.57 117.39 2a7o h LYS 59 Ca -0.01 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2a7o h LYS 59 Cb 0.25 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2a7o h LYS 59 CO 0.02 0.27 -0.11 -0.07 -0.57 0.00 0.00 179.45 178.99 2a7o h LEU 60 N 0.42 0.81 -0.72 2.94 3.38 -0.97 0.17 115.31 121.35 2a7o h LEU 60 Ca 0.21 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2a7o h LEU 60 Cb 0.14 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2a7o h LEU 60 CO -0.16 0.99 0.46 0.74 0.09 0.00 0.00 178.44 180.55 2a7o h THR 61 N 0.62 1.11 0.00 0.22 2.02 -0.93 -1.75 112.91 114.21 2a7o h THR 61 Ca 0.10 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.85 2a7o h THR 61 Cb 0.64 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 2a7o h THR 61 CO 0.04 0.16 -0.62 -0.74 0.37 0.00 0.00 175.52 174.74 2a7o h HIS 62 N 0.90 0.00 0.08 3.16 -0.00 -0.62 -2.23 115.15 116.44 2a7o h HIS 62 Ca 0.28 0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.39 2a7o h HIS 62 Cb -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2a7o h HIS 62 CO -0.04 0.62 -1.13 0.78 -0.00 0.00 0.00 177.93 178.16 2a7o h GLY 63 N 2.77 0.50 1.44 5.26 0.00 -0.27 -0.21 103.07 112.56 2a7o h GLY 63 Ca -0.01 -1.04 -0.10 0.00 0.00 0.00 0.00 47.33 46.18 2a7o h GLY 63 CO 0.08 0.91 -0.22 -2.08 0.00 0.00 0.00 176.54 175.23 2a7o h VAL 64 N 0.20 1.27 0.13 4.60 2.07 -1.30 -0.46 116.25 122.76 2a7o h VAL 64 Ca -0.13 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 2a7o h VAL 64 Cb 1.80 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 2a7o h VAL 64 CO 0.20 0.42 -0.06 -0.03 0.02 0.00 0.00 177.57 178.12 2a7o h MET 65 N 0.57 -0.17 -0.64 1.57 -1.53 -1.36 -1.81 114.93 111.56 2a7o h MET 65 Ca 0.08 0.01 -0.08 0.00 -3.44 0.00 0.00 59.70 56.28 2a7o h MET 65 Cb 0.68 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.75 2a7o h MET 65 CO 0.05 0.03 0.10 -0.91 0.14 0.00 0.00 176.91 176.32 2a7o h ASN 66 N -0.34 1.01 -0.11 1.39 2.35 -0.85 0.34 115.58 119.37 2a7o h ASN 66 Ca -0.02 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2a7o h ASN 66 Cb 0.28 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2a7o h ASN 66 CO 0.03 1.00 0.05 0.07 -1.65 0.00 0.00 177.43 176.93 2a7o h LYS 67 N 0.99 0.15 -0.05 0.81 2.10 -0.95 0.14 116.57 119.75 2a7o h LYS 67 Ca 0.20 -0.02 -0.20 0.00 -2.00 0.00 0.00 60.65 58.63 2a7o h LYS 67 Cb 0.43 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2a7o h LYS 67 CO 0.01 0.22 -0.80 1.05 -2.00 0.00 0.00 179.45 177.93 2a7o h GLU 68 N 0.05 0.41 -0.27 0.07 4.11 -1.19 -0.27 114.58 117.48 2a7o h GLU 68 Ca 0.04 -0.36 0.03 0.00 0.07 0.00 0.00 59.36 59.13 2a7o h GLU 68 Cb 0.12 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2a7o h GLU 68 CO -0.00 1.02 0.18 -0.07 0.07 0.00 0.00 179.01 180.21 2a7o h LEU 69 N 0.26 0.22 0.00 3.06 3.38 -0.78 0.84 115.31 122.28 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 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.09 2a7o h LEU 69 CO 0.14 0.15 -0.48 2.29 0.09 0.00 0.00 178.44 180.63 2a7o n LYS 70 N -4.49 0.26 -0.00 1.13 2.85 0.02 -1.64 118.16 116.28 2a7o n LYS 70 Ca 0.02 0.10 0.04 0.00 -1.05 0.00 0.00 58.31 57.43 2a7o n LYS 70 Cb 0.16 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.79 2a7o n LYS 70 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2a7o n TYR 71 N -2.08 0.00 0.01 5.58 4.01 -0.20 -4.47 117.16 120.01 2a7o n TYR 71 Ca 0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.73 2a7o n TYR 71 Cb 0.43 -0.16 -0.11 0.00 -0.31 0.00 0.00 39.34 39.19 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 -3.01 0.00 -5.13 0.00 4.01 -0.65 -4.82 118.16 108.56 2a7o n LYS 73 Ca -0.13 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.35 2a7o n LYS 73 Cb 0.96 -0.53 -0.16 0.00 -0.51 0.00 0.00 35.03 34.80 2a7o n LYS 73 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2a7o s ASN 74 N 0.00 3.36 0.00 4.39 0.01 -1.26 -4.94 114.94 116.50 2a7o s ASN 74 Ca 0.00 -0.45 0.05 0.00 -0.71 0.00 0.00 52.86 51.75 2a7o s ASN 74 Cb 0.00 -1.06 0.28 0.00 0.41 0.00 0.00 41.25 40.88 2a7o s ASN 74 CO 0.00 0.23 0.85 -0.81 -1.51 0.00 0.00 177.10 175.86 2a7o n PRO 75 N 3.05 0.62 0.01 -0.60 -0.04 -1.26 -2.95 135.00 133.84 2a7o n PRO 75 Ca -0.18 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.34 2a7o n PRO 75 Cb 0.52 -1.12 0.25 0.00 -0.04 0.00 0.00 33.50 33.11 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 -0.62 0.02 0.00 0.54 2.13 -1.26 -1.19 120.64 120.26 2a7o n GLU 76 Ca 0.04 0.34 0.02 0.00 0.66 0.00 0.00 57.16 58.22 2a7o n GLU 76 Cb 0.02 -1.54 0.02 0.00 0.27 0.00 0.00 31.44 30.20 2a7o n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2a7o n ASP 77 N -1.57 1.30 -4.49 4.31 9.92 -1.15 -4.90 116.55 119.97 2a7o n ASP 77 Ca 0.02 -1.15 -0.42 0.00 -0.53 0.00 0.00 54.79 52.71 2a7o n ASP 77 Cb 0.12 0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 40.64 2a7o n ASP 77 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2a7o s LEU 78 N -0.52 4.11 -0.02 0.64 2.96 -0.33 -4.91 118.68 120.62 2a7o s LEU 78 Ca 0.05 -1.11 -0.03 0.00 -0.22 0.00 0.00 54.13 52.82 2a7o s LEU 78 Cb 0.04 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.26 2a7o s LEU 78 CO 0.07 -1.48 0.07 -0.70 -1.32 0.00 0.00 176.35 172.99 2a7o s GLU 79 N 4.32 0.19 -1.34 1.98 2.56 -1.26 -4.77 118.70 120.39 2a7o s GLU 79 Ca 0.30 -0.09 -0.12 0.00 0.00 0.00 0.00 54.97 55.06 2a7o s GLU 79 Cb -0.11 0.08 0.12 0.00 2.00 0.00 0.00 34.13 36.22 2a7o s GLU 79 CO 0.05 -0.03 1.96 0.00 -0.56 0.00 0.00 175.26 176.68 2a7o n ASN 81 N 5.00 1.05 0.02 0.00 0.23 -1.26 -4.81 115.26 115.49 2a7o n ASN 81 Ca 0.44 -1.82 -0.10 0.00 -0.53 0.00 0.00 54.58 52.57 2a7o n ASN 81 Cb 0.38 -0.35 -0.04 0.00 -2.08 0.00 0.00 39.78 37.69 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 -0.20 -0.36 -3.83 3.07 -1.97 0.54 114.58 111.83 2a7o h GLU 82 Ca -0.19 0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.76 2a7o h GLU 82 Cb 0.78 0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.65 2a7o h GLU 82 CO 0.23 -0.13 -0.19 -0.97 -1.40 0.00 0.00 179.01 176.55 2a7o h ASN 83 N -0.21 -0.63 -0.09 1.42 -1.24 -1.95 0.56 115.58 113.44 2a7o h ASN 83 Ca 0.07 0.14 -0.00 0.00 0.71 0.00 0.00 56.30 57.22 2a7o h ASN 83 Cb 0.31 0.34 -0.00 0.00 0.73 0.00 0.00 38.32 39.69 2a7o h ASN 83 CO -0.19 -0.22 0.05 0.58 -1.29 0.00 0.00 177.43 176.36 2a7o h VAL 84 N -0.13 1.07 -0.62 2.57 2.07 -1.69 -1.44 116.25 118.09 2a7o h VAL 84 Ca 0.18 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2a7o h VAL 84 Cb 0.41 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2a7o h VAL 84 CO -0.44 0.07 0.38 0.11 0.02 0.00 0.00 177.57 177.70 2a7o h LYS 85 N 0.07 0.73 -0.04 1.57 1.57 0.62 0.12 116.57 121.22 2a7o h LYS 85 Ca 0.03 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2a7o h LYS 85 Cb 0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2a7o h LYS 85 CO -0.01 0.48 -0.13 1.25 -0.57 0.00 0.00 179.45 180.48 2a7o h HIS 86 N 0.75 -0.33 0.00 -1.35 2.76 0.35 0.99 115.15 118.32 2a7o h HIS 86 Ca 0.25 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 2a7o h HIS 86 Cb 0.01 0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2a7o h HIS 86 CO -0.05 -0.20 -0.29 0.87 -1.30 0.00 0.00 177.93 176.96 2a7o h LYS 87 N -0.20 0.00 0.36 5.26 1.57 -0.78 -1.64 116.57 121.15 2a7o h LYS 87 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2a7o h LYS 87 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2a7o h LYS 87 CO -0.16 0.29 -0.18 1.15 -0.57 0.00 0.00 179.45 179.99 2a7o h THR 88 N 0.00 0.00 -0.28 -0.16 2.02 0.51 0.92 112.91 115.92 2a7o h THR 88 Ca -0.00 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 2a7o h THR 88 Cb 0.63 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2a7o h THR 88 CO 0.04 0.00 0.01 0.07 0.37 0.00 0.00 175.52 176.00 2a7o h LYS 89 N -1.13 0.43 -0.56 6.66 5.09 -0.84 0.44 116.57 126.66 2a7o h LYS 89 Ca -0.05 -0.08 -0.07 0.00 0.09 0.00 0.00 60.65 60.54 2a7o h LYS 89 Cb 0.38 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.61 2a7o h LYS 89 CO 0.08 0.45 0.07 0.93 -2.09 0.00 0.00 179.45 178.90 2a7o h GLU 90 N 0.42 0.90 -0.04 0.07 4.39 -1.33 0.36 114.58 119.34 2a7o h GLU 90 Ca 0.09 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 2a7o h GLU 90 Cb 0.27 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2a7o h GLU 90 CO 0.01 0.85 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.78 2a7o h TYR 91 N 0.85 0.09 -0.11 4.33 3.20 0.92 -1.53 116.97 124.71 2a7o h TYR 91 Ca 0.17 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.07 2a7o h TYR 91 Cb 0.40 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.59 2a7o h TYR 91 CO 0.02 0.40 -0.37 0.82 -1.64 0.00 0.00 178.16 177.40 2a7o h ILE 92 N -0.25 0.21 -0.14 1.81 1.08 -0.02 0.45 117.51 120.66 2a7o h ILE 92 Ca 0.01 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.52 2a7o h ILE 92 Cb 0.37 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 2a7o h ILE 92 CO 0.00 0.00 -0.15 0.11 -0.69 0.00 0.00 178.15 177.42 2a7o h LYS 93 N -0.46 -0.18 -0.33 2.37 1.57 -0.87 0.19 116.57 118.87 2a7o h LYS 93 Ca 0.08 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2a7o h LYS 93 Cb 0.59 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2a7o h LYS 93 CO -0.36 -0.12 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.12 2a7o h LYS 94 N -0.18 0.55 0.20 3.15 3.11 -0.77 -1.25 116.57 121.37 2a7o h LYS 94 Ca 0.10 -0.14 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 2a7o h LYS 94 Cb 0.32 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2a7o h LYS 94 CO -0.25 0.62 -0.09 -0.92 -2.81 0.00 0.00 179.45 176.00 2a7o h TYR 95 N 0.51 -0.24 0.00 1.91 3.20 0.68 -2.92 116.97 120.11 2a7o h TYR 95 Ca 0.10 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2a7o h TYR 95 Cb 0.42 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.77 2a7o h TYR 95 CO 0.02 0.04 -0.04 0.52 -1.64 0.00 0.00 178.16 177.05 2a7o h MET 96 N -0.52 0.00 0.00 1.82 2.86 0.36 -0.63 114.93 118.82 2a7o h MET 96 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 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 0.04 0.04 0.00 1.96 1.06 0.00 0.00 176.91 180.02 2a7o h GLN 97 N 0.00 0.00 0.00 1.72 1.08 -1.06 -2.07 115.11 114.78 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 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2a7o h GLN 97 CO 0.01 0.00 0.00 1.57 -0.95 0.00 0.00 178.83 179.46 2a7o h LYS 98 N 0.00 0.00 0.23 1.46 2.10 -1.17 -3.23 116.57 115.96 2a7o h LYS 98 Ca 0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2a7o h LYS 98 Cb 0.25 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.62 2a7o h LYS 98 CO 0.00 0.00 -1.43 0.74 -2.00 0.00 0.00 179.45 176.76 2a7o h PHE 99 N 0.00 1.01 0.00 0.07 0.04 -1.51 -3.49 116.94 113.06 2a7o h PHE 99 Ca 0.00 -0.71 0.00 0.00 2.80 0.00 0.00 57.97 60.06 2a7o h PHE 99 Cb 0.85 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2a7o h PHE 99 CO 0.00 1.55 0.00 0.41 -0.60 0.00 0.00 178.31 179.67 2a7o n GLY 100 N 1.64 0.62 0.14 -1.45 0.00 -1.22 -4.53 105.19 100.38 2a7o n GLY 100 Ca -0.16 -1.53 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 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 0.14 -2.96 4.61 0.00 -1.92 0.25 119.26 119.39 2a7o h ALA 101 Ca 0.00 -0.47 -0.62 0.00 0.00 0.00 0.00 54.91 53.82 2a7o h ALA 101 Cb 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.64 2a7o h ALA 101 CO 0.00 0.24 -0.73 0.08 0.00 0.00 0.00 179.25 178.84 2a7o s VAL 102 N -3.60 3.09 -0.72 0.00 1.01 -1.26 -0.45 120.40 118.47 2a7o s VAL 102 Ca -0.14 -1.74 -0.26 0.00 0.00 0.00 0.00 61.98 59.84 2a7o s VAL 102 Cb 0.04 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.92 2a7o s VAL 102 CO 0.79 -0.13 1.23 -0.47 0.00 0.00 0.00 175.10 176.51 2a7o s TYR 103 N -1.76 2.35 -0.63 5.22 5.04 0.85 -4.49 117.35 123.93 2a7o s TYR 103 Ca 0.25 -0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.74 2a7o s TYR 103 Cb -0.08 -4.57 0.16 0.00 0.35 0.00 0.00 41.96 37.82 2a7o s TYR 103 CO 0.15 -1.99 0.44 0.15 -1.34 0.00 0.00 175.55 172.96 2a7o s LYS 104 N 5.45 2.57 0.62 4.97 1.02 -1.26 -4.59 119.74 128.52 2a7o s LYS 104 Ca 0.33 -2.53 0.42 0.00 0.02 0.00 0.00 55.97 54.21 2a7o s LYS 104 Cb -0.09 -3.73 2.25 0.00 -0.52 0.00 0.00 37.83 35.73 2a7o s LYS 104 CO 0.15 -1.17 2.28 -1.00 -0.92 0.00 0.00 175.35 174.68 2a7o h PRO 105 N 7.02 0.00 0.00 -1.68 0.13 -1.98 0.21 132.00 135.71 2a7o h PRO 105 Ca -0.01 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 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.11 2a7o n LYS 106 N -2.99 0.05 0.09 0.86 4.01 -1.26 -1.14 118.16 117.78 2a7o n LYS 106 Ca -0.03 0.39 0.04 0.00 -0.51 0.00 0.00 58.31 58.21 2a7o n LYS 106 Cb 0.08 -1.61 -0.02 0.00 -0.51 0.00 0.00 35.03 32.96 2a7o n LYS 106 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2a7o h GLU 107 N 0.00 0.00 -6.28 1.97 4.39 -0.98 -3.48 114.58 110.20 2a7o h GLU 107 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 2a7o h GLU 107 Cb 0.17 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 28.92 2a7o h GLU 107 CO 0.00 0.24 -0.09 -3.47 -1.16 0.00 0.00 179.01 174.52 2a7o n ASP 108 N -2.92 0.36 0.00 1.42 2.03 -0.29 -5.02 116.55 112.14 2a7o n ASP 108 Ca -0.04 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2a7o n ASP 108 Cb 0.72 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 2a7o n ASP 108 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35