#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ff0 s GLU 11 N 0.00 3.87 0.06 0.11 8.01 -1.26 -5.09 118.70 124.40 2ff0 s GLU 11 Ca 0.00 0.33 0.01 0.00 0.01 0.00 0.00 54.97 55.32 2ff0 s GLU 11 Cb 0.00 -2.96 -0.03 0.00 -4.31 0.00 0.00 34.13 26.83 2ff0 s GLU 11 CO 0.00 0.51 -0.06 -0.51 0.01 0.00 0.00 175.26 175.21 2ff0 s LEU 12 N -1.96 2.39 -0.30 1.80 1.43 -1.26 -4.06 118.68 116.72 2ff0 s LEU 12 Ca 0.36 -0.79 -0.28 0.00 -1.03 0.00 0.00 54.13 52.38 2ff0 s LEU 12 Cb -0.14 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 2ff0 s LEU 12 CO 0.19 -0.37 1.82 0.00 0.23 0.00 0.00 176.35 178.21 2ff0 n PRO 14 N 8.38 0.71 -0.07 0.00 -0.04 -1.26 -0.84 135.00 141.88 2ff0 n PRO 14 Ca 0.23 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.58 2ff0 n PRO 14 Cb 0.46 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 2ff0 n PRO 14 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ff0 n VAL 15 N -0.33 1.39 0.32 0.52 0.31 -1.26 -4.83 118.33 114.44 2ff0 n VAL 15 Ca 0.00 0.07 0.05 0.00 -0.01 0.00 0.00 64.34 64.45 2ff0 n VAL 15 Cb 0.05 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 30.82 2ff0 n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ff0 n GLY 17 N 1.43 0.68 4.00 0.00 0.00 -0.02 -2.82 105.19 108.47 2ff0 n GLY 17 Ca 0.01 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 2ff0 n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ff0 s ASP 18 N -2.78 5.48 0.52 1.61 1.01 -1.25 -4.82 116.67 116.44 2ff0 s ASP 18 Ca 0.00 -0.26 -0.20 0.00 0.71 0.00 0.00 52.55 52.80 2ff0 s ASP 18 Cb 0.00 -0.72 -0.07 0.00 1.01 0.00 0.00 42.92 43.14 2ff0 s ASP 18 CO 0.00 -0.94 1.08 -0.54 0.21 0.00 0.00 175.17 174.99 2ff0 s LYS 19 N -4.53 3.55 0.42 8.23 1.02 -1.26 0.48 119.74 127.64 2ff0 s LYS 19 Ca 0.56 1.47 -0.22 0.00 0.02 0.00 0.00 55.97 57.80 2ff0 s LYS 19 Cb -0.10 -2.05 -0.10 0.00 -0.52 0.00 0.00 37.83 35.06 2ff0 s LYS 19 CO 0.35 -0.66 0.99 0.14 -0.92 0.00 0.00 175.35 175.25 2ff0 s VAL 20 N -1.91 4.10 -1.49 3.17 -7.23 -1.26 -4.12 120.40 111.67 2ff0 s VAL 20 Ca 0.70 1.44 0.15 0.00 -1.81 0.00 0.00 61.98 62.46 2ff0 s VAL 20 Cb -0.20 -3.66 0.34 0.00 0.56 0.00 0.00 36.38 33.42 2ff0 s VAL 20 CO 0.24 -0.15 1.26 -1.20 -0.31 0.00 0.00 175.10 174.93 2ff0 n SER 21 N -0.38 3.02 0.00 4.85 7.64 0.46 -4.88 113.62 124.33 2ff0 n SER 21 Ca 0.06 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 58.04 2ff0 n SER 21 Cb 0.52 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2ff0 n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ff0 n GLY 22 N 0.91 0.09 3.65 0.23 0.00 -1.23 -4.97 105.19 103.88 2ff0 n GLY 22 Ca 0.14 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2ff0 n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ff0 n TYR 23 N -0.71 2.44 -3.75 1.61 4.02 -1.26 -2.20 117.16 117.31 2ff0 n TYR 23 Ca 0.00 -0.35 -0.27 0.00 -0.01 0.00 0.00 57.90 57.27 2ff0 n TYR 23 Cb 0.00 -2.80 -0.17 0.00 -0.02 0.00 0.00 39.34 36.36 2ff0 n TYR 23 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2ff0 s HIS 24 N 5.04 0.98 0.00 -0.72 3.76 0.12 -4.91 115.29 119.56 2ff0 s HIS 24 Ca 0.91 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 2ff0 s HIS 24 Cb -0.42 -0.99 0.00 0.00 1.11 0.00 0.00 32.58 32.28 2ff0 s HIS 24 CO 0.41 -0.55 0.00 0.66 -0.85 0.00 0.00 174.74 174.41 2ff0 n TYR 25 N 5.06 0.00 0.00 1.40 4.01 -1.26 -2.96 117.16 123.41 2ff0 n TYR 25 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2ff0 n TYR 25 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 2ff0 n TYR 25 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ff0 n GLY 26 N 0.00 0.22 3.73 2.72 0.00 -1.26 -4.87 105.19 105.73 2ff0 n GLY 26 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2ff0 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ff0 s LEU 27 N -2.83 2.61 -0.58 0.99 1.02 -1.15 -5.00 118.68 113.73 2ff0 s LEU 27 Ca 0.00 -1.47 -0.27 0.00 0.02 0.00 0.00 54.13 52.41 2ff0 s LEU 27 Cb 0.00 -0.90 0.03 0.00 0.02 0.00 0.00 46.19 45.34 2ff0 s LEU 27 CO 0.00 -0.71 1.14 -0.76 0.02 0.00 0.00 176.35 176.03 2ff0 s LEU 28 N -3.86 3.60 0.41 1.79 1.02 -1.26 0.11 118.68 120.48 2ff0 s LEU 28 Ca 0.21 -0.05 0.06 0.00 0.02 0.00 0.00 54.13 54.37 2ff0 s LEU 28 Cb 0.04 -3.04 -0.07 0.00 0.02 0.00 0.00 46.19 43.14 2ff0 s LEU 28 CO 0.11 -1.44 0.02 0.42 0.02 0.00 0.00 176.35 175.48 2ff0 s THR 29 N 4.75 1.77 0.28 5.49 -4.23 -0.93 -4.29 115.64 118.48 2ff0 s THR 29 Ca 0.39 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 2ff0 s THR 29 Cb -0.09 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 2ff0 s THR 29 CO 0.23 0.00 0.50 0.00 -0.54 0.00 0.00 174.62 174.81 2ff0 h GLU 31 N 1.47 0.00 -0.26 0.00 4.39 -1.93 0.80 114.58 119.05 2ff0 h GLU 31 Ca -0.49 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.23 2ff0 h GLU 31 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 2ff0 h GLU 31 CO 0.65 0.00 0.15 0.77 -1.16 0.00 0.00 179.01 179.42 2ff0 h SER 32 N 0.00 0.24 0.54 1.42 0.02 -1.94 0.36 113.55 114.18 2ff0 h SER 32 Ca 0.09 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.75 2ff0 h SER 32 Cb 0.44 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 2ff0 h SER 32 CO -0.00 0.17 -1.40 0.00 -1.14 0.00 0.00 176.83 174.46 2ff0 h LYS 34 N 0.07 0.44 -0.21 0.00 3.64 -0.78 0.44 116.57 120.17 2ff0 h LYS 34 Ca -0.19 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.11 2ff0 h LYS 34 Cb 1.99 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.71 2ff0 h LYS 34 CO 0.18 0.29 -0.05 0.78 -2.27 0.00 0.00 179.45 178.38 2ff0 h GLY 35 N 0.45 0.44 0.74 5.01 0.00 -0.34 -2.13 103.07 107.25 2ff0 h GLY 35 Ca 0.23 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.25 2ff0 h GLY 35 CO -0.18 0.33 0.39 -2.75 0.00 0.00 0.00 176.54 174.33 2ff0 h PHE 36 N 0.12 0.73 0.11 5.60 3.57 -1.08 0.14 116.94 126.13 2ff0 h PHE 36 Ca 0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2ff0 h PHE 36 Cb 0.50 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2ff0 h PHE 36 CO 0.05 0.37 -0.08 0.35 -2.23 0.00 0.00 178.31 176.77 2ff0 h PHE 37 N 0.74 -0.22 -0.61 0.41 3.57 -0.07 -1.24 116.94 119.52 2ff0 h PHE 37 Ca 0.29 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.81 2ff0 h PHE 37 Cb 0.13 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 2ff0 h PHE 37 CO -0.07 -0.13 0.39 0.87 -2.23 0.00 0.00 178.31 177.14 2ff0 h LYS 38 N -0.20 0.75 -0.78 1.11 1.57 -1.03 0.58 116.57 118.58 2ff0 h LYS 38 Ca -0.00 -0.05 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 2ff0 h LYS 38 Cb 0.18 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 2ff0 h LYS 38 CO -0.01 0.50 0.42 0.00 -0.57 0.00 0.00 179.45 179.79 2ff0 h ARG 39 N 0.77 0.68 0.28 3.15 2.47 -0.70 -0.44 114.38 120.59 2ff0 h ARG 39 Ca 0.24 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 2ff0 h ARG 39 Cb -0.02 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.15 2ff0 h ARG 39 CO -0.08 0.45 -0.13 1.15 0.56 0.00 0.00 179.97 181.92 2ff0 h THR 40 N 0.70 0.63 -0.56 2.04 2.02 -0.45 -3.11 112.91 114.19 2ff0 h THR 40 Ca 0.38 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 2ff0 h THR 40 Cb 0.38 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2ff0 h THR 40 CO -0.26 0.14 0.23 -0.37 0.37 0.00 0.00 175.52 175.63 2ff0 h VAL 41 N -0.87 1.22 0.00 3.16 -1.51 -0.80 0.12 116.25 117.56 2ff0 h VAL 41 Ca -0.04 -0.67 -0.05 0.00 -1.23 0.00 0.00 66.70 64.71 2ff0 h VAL 41 Cb 0.51 0.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 2ff0 h VAL 41 CO 0.06 0.26 -0.24 1.56 -1.23 0.00 0.00 177.57 177.98 2ff0 h GLN 42 N 0.76 0.00 -0.13 5.19 1.08 -1.20 -2.65 115.11 118.16 2ff0 h GLN 42 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2ff0 h GLN 42 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2ff0 h GLN 42 CO -0.02 0.24 0.00 0.09 -0.95 0.00 0.00 178.83 178.19 2ff0 n ASN 43 N -3.49 2.53 -3.61 1.46 3.02 -1.11 -4.96 115.26 109.11 2ff0 n ASN 43 Ca -0.00 -1.73 -0.24 0.00 -0.03 0.00 0.00 54.58 52.57 2ff0 n ASN 43 Cb 0.41 -0.08 0.08 0.00 -0.61 0.00 0.00 39.78 39.58 2ff0 n ASN 43 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2ff0 n ASN 44 N 0.88 -6.33 -4.60 6.41 5.03 -0.24 -4.88 115.26 111.52 2ff0 n ASN 44 Ca 0.11 -0.55 -0.43 0.00 0.87 0.00 0.00 54.58 54.58 2ff0 n ASN 44 Cb 0.41 -5.01 -0.02 0.00 -1.02 0.00 0.00 39.78 34.14 2ff0 n ASN 44 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2ff0 s LYS 45 N -6.32 3.62 -0.37 3.52 1.02 0.25 -4.97 119.74 116.48 2ff0 s LYS 45 Ca 0.59 0.83 -0.11 0.00 0.02 0.00 0.00 55.97 57.29 2ff0 s LYS 45 Cb -0.26 -3.99 0.02 0.00 -0.52 0.00 0.00 37.83 33.08 2ff0 s LYS 45 CO 0.73 -1.51 0.21 -1.01 -0.92 0.00 0.00 175.35 172.85 2ff0 s HIS 46 N 5.15 3.24 0.41 3.18 3.76 -1.26 -4.85 115.29 124.91 2ff0 s HIS 46 Ca 0.57 -0.85 -0.03 0.00 -0.15 0.00 0.00 55.06 54.60 2ff0 s HIS 46 Cb -0.12 -2.45 0.09 0.00 1.11 0.00 0.00 32.58 31.21 2ff0 s HIS 46 CO 0.32 -0.61 0.57 0.66 -0.85 0.00 0.00 174.74 174.83 2ff0 n TYR 47 N 5.02 -3.42 -3.99 1.40 4.01 -1.26 -5.11 117.16 113.82 2ff0 n TYR 47 Ca -0.12 -0.81 -0.08 0.00 -0.16 0.00 0.00 57.90 56.73 2ff0 n TYR 47 Cb 0.47 -0.42 -0.09 0.00 -0.31 0.00 0.00 39.34 38.98 2ff0 n TYR 47 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2ff0 s THR 48 N -1.79 0.18 0.02 -0.72 -1.32 -1.26 -4.90 115.64 105.86 2ff0 s THR 48 Ca 0.35 -1.50 -0.09 0.00 -1.21 0.00 0.00 61.69 59.25 2ff0 s THR 48 Cb -0.02 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 2ff0 s THR 48 CO 0.24 -0.83 0.17 0.00 -2.21 0.00 0.00 174.62 171.99 2ff0 s THR 50 N -2.09 2.07 0.00 0.00 -4.23 -1.26 -4.53 115.64 105.61 2ff0 s THR 50 Ca -0.09 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2ff0 s THR 50 Cb -0.04 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2ff0 s THR 50 CO -0.01 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.45 2ff0 n GLU 51 N -3.03 0.00 0.00 3.99 1.02 -1.26 -1.60 120.64 119.76 2ff0 n GLU 51 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2ff0 n GLU 51 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2ff0 n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2ff0 n SER 52 N 3.14 0.00 0.00 1.62 3.41 -1.26 -4.98 113.62 115.54 2ff0 n SER 52 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2ff0 n SER 52 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2ff0 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ff0 n GLN 53 N 0.00 -0.44 -2.46 4.33 6.02 -0.63 -4.90 117.38 119.31 2ff0 n GLN 53 Ca 0.00 0.11 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 2ff0 n GLN 53 Cb 0.39 -3.85 0.01 0.00 1.02 0.00 0.00 30.24 27.81 2ff0 n GLN 53 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2ff0 n SER 54 N -0.22 5.32 -4.80 1.08 7.64 -1.26 -4.76 113.62 116.62 2ff0 n SER 54 Ca 0.00 -3.16 -0.22 0.00 1.01 0.00 0.00 58.87 56.50 2ff0 n SER 54 Cb 0.11 -1.44 -0.05 0.00 -1.01 0.00 0.00 64.21 61.82 2ff0 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ff0 s LYS 56 N -3.90 2.82 -0.26 0.00 3.01 -1.26 -4.96 119.74 115.18 2ff0 s LYS 56 Ca 0.38 -0.56 -0.10 0.00 -1.01 0.00 0.00 55.97 54.68 2ff0 s LYS 56 Cb -0.05 -2.69 -0.04 0.00 -1.01 0.00 0.00 37.83 34.04 2ff0 s LYS 56 CO 0.25 0.64 0.15 0.42 0.51 0.00 0.00 175.35 177.32 2ff0 s ILE 57 N -1.02 5.03 0.27 2.17 -1.09 -1.26 -4.82 121.20 120.47 2ff0 s ILE 57 Ca 0.18 0.07 0.04 0.00 -2.23 0.00 0.00 60.65 58.71 2ff0 s ILE 57 Cb -0.11 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.38 2ff0 s ILE 57 CO 0.08 0.30 0.16 -0.67 -1.23 0.00 0.00 174.94 173.57 2ff0 n ASP 58 N 4.85 0.29 -0.26 3.58 2.03 -1.26 -4.46 116.55 121.33 2ff0 n ASP 58 Ca -0.15 -2.59 0.02 0.00 0.52 0.00 0.00 54.79 52.59 2ff0 n ASP 58 Cb 0.52 1.00 0.15 0.00 -0.72 0.00 0.00 41.12 42.07 2ff0 n ASP 58 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2ff0 h LYS 59 N 0.00 0.59 0.00 -0.67 1.63 -1.87 0.10 116.57 116.35 2ff0 h LYS 59 Ca -0.20 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.43 2ff0 h LYS 59 Cb 0.88 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 2ff0 h LYS 59 CO 0.31 0.39 -1.04 0.00 -3.45 0.00 0.00 179.45 175.65 2ff0 h THR 60 N 0.60 0.58 -0.26 1.00 1.03 -1.96 -3.34 112.91 110.55 2ff0 h THR 60 Ca 0.37 -1.98 0.00 0.00 -0.01 0.00 0.00 66.41 64.80 2ff0 h THR 60 Cb 0.42 2.12 0.00 0.00 -1.07 0.00 0.00 68.15 69.63 2ff0 h THR 60 CO -0.29 0.33 0.00 0.00 -0.01 0.00 0.00 175.52 175.55 2ff0 n GLN 61 N -2.99 2.16 0.15 0.00 6.02 -0.69 -4.13 117.38 117.90 2ff0 n GLN 61 Ca -0.05 -1.75 0.01 0.00 -0.01 0.00 0.00 57.00 55.21 2ff0 n GLN 61 Cb 0.77 -1.46 0.21 0.00 1.02 0.00 0.00 30.24 30.79 2ff0 n GLN 61 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2ff0 h ARG 62 N 3.53 0.00 -0.00 -1.09 0.11 -0.96 -2.74 114.38 113.23 2ff0 h ARG 62 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2ff0 h ARG 62 Cb 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2ff0 h ARG 62 CO 0.00 0.54 -0.64 1.63 0.10 0.00 0.00 179.97 181.60 2ff0 n LYS 63 N -3.69 0.37 -0.02 0.08 5.02 -1.26 -4.61 118.16 114.05 2ff0 n LYS 63 Ca -0.01 -0.27 -0.01 0.00 -2.02 0.00 0.00 58.31 56.01 2ff0 n LYS 63 Cb 0.59 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2ff0 n LYS 63 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ff0 h ARG 64 N 0.66 -0.04 -3.97 1.97 3.08 -1.68 -3.42 114.38 110.99 2ff0 h ARG 64 Ca 0.00 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.33 2ff0 h ARG 64 Cb 0.55 0.01 -0.32 0.00 0.08 0.00 0.00 29.97 30.29 2ff0 h ARG 64 CO 0.00 -0.02 -0.33 0.00 -1.07 0.00 0.00 179.97 178.55 2ff0 h PRO 66 N 7.72 0.54 -0.18 0.00 0.11 -1.83 -1.05 132.00 137.31 2ff0 h PRO 66 Ca -0.07 -0.19 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 2ff0 h PRO 66 Cb 1.02 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2ff0 h PRO 66 CO 0.76 0.71 -0.10 0.35 -0.21 0.00 0.00 178.00 179.51 2ff0 h PHE 67 N 0.49 0.45 -0.72 0.65 3.57 -1.90 0.20 116.94 119.68 2ff0 h PHE 67 Ca 0.08 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2ff0 h PHE 67 Cb 0.60 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 2ff0 h PHE 67 CO 0.02 0.70 0.32 0.00 -2.23 0.00 0.00 178.31 177.12 2ff0 h ARG 69 N 1.04 0.88 -0.22 0.00 2.43 -1.03 0.96 114.38 118.43 2ff0 h ARG 69 Ca 0.25 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2ff0 h ARG 69 Cb 0.15 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2ff0 h ARG 69 CO -0.03 1.03 0.13 0.35 -1.51 0.00 0.00 179.97 179.94 2ff0 h PHE 70 N 0.70 0.30 -0.54 2.20 3.57 -0.23 0.15 116.94 123.09 2ff0 h PHE 70 Ca 0.09 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 2ff0 h PHE 70 Cb 0.78 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 2ff0 h PHE 70 CO 0.06 0.26 0.15 1.96 -2.23 0.00 0.00 178.31 178.50 2ff0 h GLN 71 N 0.26 0.81 -0.84 1.11 1.08 -0.99 -1.93 115.11 114.61 2ff0 h GLN 71 Ca 0.08 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2ff0 h GLN 71 Cb 0.05 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 2ff0 h GLN 71 CO -0.01 0.71 0.46 -0.22 -0.95 0.00 0.00 178.83 178.83 2ff0 h LYS 72 N 0.79 1.16 -0.14 1.46 1.63 -0.26 0.48 116.57 121.69 2ff0 h LYS 72 Ca 0.18 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2ff0 h LYS 72 Cb 0.26 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 2ff0 h LYS 72 CO -0.01 0.85 0.08 0.00 -3.45 0.00 0.00 179.45 176.92 2ff0 h LEU 74 N 0.13 0.15 -0.79 0.00 3.38 -1.02 -1.14 115.31 116.02 2ff0 h LEU 74 Ca 0.05 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 57.96 2ff0 h LEU 74 Cb 0.07 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 2ff0 h LEU 74 CO -0.01 0.33 0.31 0.74 0.09 0.00 0.00 178.44 179.90 2ff0 h THR 75 N -0.04 0.61 0.00 0.22 2.02 0.04 0.32 112.91 116.08 2ff0 h THR 75 Ca 0.03 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2ff0 h THR 75 Cb 0.24 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2ff0 h THR 75 CO -0.00 0.08 -0.19 1.62 0.37 0.00 0.00 175.52 177.40 2ff0 h VAL 76 N 0.42 0.83 0.00 3.16 3.04 -0.63 -3.45 116.25 119.62 2ff0 h VAL 76 Ca 0.44 -0.73 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2ff0 h VAL 76 Cb 0.72 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2ff0 h VAL 76 CO -0.44 0.18 0.00 0.61 -1.01 0.00 0.00 177.57 176.91 2ff0 n GLY 77 N -0.68 -0.37 3.66 3.17 0.00 0.10 -4.93 105.19 106.15 2ff0 n GLY 77 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2ff0 n GLY 77 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ff0 s MET 78 N 0.00 4.27 0.16 1.61 1.00 -0.47 -4.58 119.30 121.29 2ff0 s MET 78 Ca 0.00 1.54 -0.06 0.00 0.00 0.00 0.00 55.69 57.17 2ff0 s MET 78 Cb 0.00 -3.69 -0.06 0.00 0.00 0.00 0.00 34.83 31.09 2ff0 s MET 78 CO 0.00 -0.63 0.42 1.03 0.00 0.00 0.00 175.02 175.84 2ff0 s ARG 79 N 3.17 3.67 0.20 2.03 1.81 -1.26 -3.81 118.95 124.76 2ff0 s ARG 79 Ca 0.51 0.00 -0.04 0.00 -1.72 0.00 0.00 55.73 54.48 2ff0 s ARG 79 Cb -0.19 -2.81 0.15 0.00 -0.45 0.00 0.00 34.95 31.65 2ff0 s ARG 79 CO 0.12 0.44 1.56 -0.07 -0.68 0.00 0.00 175.30 176.68 2ff0 h LEU 80 N 2.80 0.69 -0.33 2.53 3.38 -1.97 -2.46 115.31 119.95 2ff0 h LEU 80 Ca -0.46 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2ff0 h LEU 80 Cb 1.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2ff0 h LEU 80 CO 0.72 1.01 0.00 -1.84 0.09 0.00 0.00 178.44 178.42 2ff0 n GLU 81 N -4.03 1.22 0.12 1.13 0.28 -1.26 -3.35 120.64 114.74 2ff0 n GLU 81 Ca -0.02 -0.33 0.11 0.00 -0.16 0.00 0.00 57.16 56.77 2ff0 n GLU 81 Cb 0.53 -1.28 0.02 0.00 1.43 0.00 0.00 31.44 32.14 2ff0 n GLU 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ff0 h ALA 82 N 3.62 0.56 -2.60 -1.84 0.00 -1.84 -3.45 119.26 113.71 2ff0 h ALA 82 Ca 0.00 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 2ff0 h ALA 82 Cb 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.79 2ff0 h ALA 82 CO 0.00 0.01 -0.10 0.54 0.00 0.00 0.00 179.25 179.70 2ff0 s VAL 83 N -3.34 5.09 -0.49 0.00 0.11 -1.21 -4.91 120.40 115.65 2ff0 s VAL 83 Ca 0.00 0.67 -0.28 0.00 -2.93 0.00 0.00 61.98 59.44 2ff0 s VAL 83 Cb 0.09 -3.81 -0.01 0.00 -1.53 0.00 0.00 36.38 31.12 2ff0 s VAL 83 CO 0.78 0.05 1.73 -0.60 -3.33 0.00 0.00 175.10 173.73 2ff0 s ARG 84 N 2.24 3.06 0.22 1.54 6.06 -1.26 -4.82 118.95 125.99 2ff0 s ARG 84 Ca 0.19 0.90 0.14 0.00 -2.50 0.00 0.00 55.73 54.45 2ff0 s ARG 84 Cb -0.16 -4.25 -0.02 0.00 0.06 0.00 0.00 34.95 30.59 2ff0 s ARG 84 CO 0.10 -2.20 1.33 0.00 -2.50 0.00 0.00 175.30 172.02 2ff0 h ALA 85 N 13.28 0.61 -2.73 6.12 0.00 -1.94 -3.38 119.26 131.22 2ff0 h ALA 85 Ca -0.29 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2ff0 h ALA 85 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2ff0 h ALA 85 CO 1.13 0.80 0.00 -3.47 0.00 0.00 0.00 179.25 177.71 2ff0 n ASP 86 N -3.21 0.00 0.00 0.00 2.03 -1.26 -4.97 116.55 109.14 2ff0 n ASP 86 Ca -0.00 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2ff0 n ASP 86 Cb 0.79 -0.05 0.00 0.00 -0.72 0.00 0.00 41.12 41.15 2ff0 n ASP 86 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2ff0 n ARG 87 N -0.86 0.00 -1.69 -0.67 3.00 -1.26 -5.13 116.66 110.05 2ff0 n ARG 87 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 57.85 57.34 2ff0 n ARG 87 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 2ff0 n ARG 87 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2ff0 n MET 88 N 0.00 1.86 -1.30 -0.14 2.81 -1.26 -4.83 117.12 114.26 2ff0 n MET 88 Ca 0.00 0.68 -0.38 0.00 -1.81 0.00 0.00 57.70 56.19 2ff0 n MET 88 Cb 0.00 -2.48 -0.03 0.00 -0.71 0.00 0.00 33.22 30.00 2ff0 n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2ff0 n ARG 89 N 6.28 3.65 -2.60 0.03 1.74 -1.26 -4.87 116.66 119.64 2ff0 n ARG 89 Ca 0.24 -2.16 -0.43 0.00 -0.77 0.00 0.00 57.85 54.73 2ff0 n ARG 89 Cb 0.24 -2.78 -0.02 0.00 -1.02 0.00 0.00 32.46 28.89 2ff0 n ARG 89 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ff0 s GLY 90 N 2.17 1.42 0.19 -0.13 0.00 -1.26 -4.92 107.32 104.78 2ff0 s GLY 90 Ca 0.70 -0.23 -0.14 0.00 0.00 0.00 0.00 44.72 45.05 2ff0 s GLY 90 CO -0.06 2.37 1.66 -1.33 0.00 0.00 0.00 173.10 175.75 2ff0 h GLY 91 N 10.70 0.45 -5.57 0.20 0.00 -2.02 -3.38 103.07 103.45 2ff0 h GLY 91 Ca -0.22 0.12 -0.62 0.00 0.00 0.00 0.00 47.33 46.61 2ff0 h GLY 91 CO 1.08 -0.18 -0.85 0.50 0.00 0.00 0.00 176.54 177.09 2ff0 s ARG 92 N -6.20 2.53 0.00 4.80 1.81 -1.26 -4.96 118.95 115.67 2ff0 s ARG 92 Ca -0.14 -0.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 2ff0 s ARG 92 Cb 0.17 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.70 2ff0 s ARG 92 CO 0.72 0.11 0.00 0.27 -0.68 0.00 0.00 175.30 175.72 2ff0 n ASN 93 N 3.68 0.00 -0.04 0.23 0.23 -1.26 -4.95 115.26 113.15 2ff0 n ASN 93 Ca -0.20 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.78 2ff0 n ASN 93 Cb 0.52 -0.36 -0.04 0.00 -2.08 0.00 0.00 39.78 37.82 2ff0 n ASN 93 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50 2ff0 n LYS 94 N -2.41 0.21 -1.39 -3.83 4.81 -1.26 -4.76 118.16 109.52 2ff0 n LYS 94 Ca 0.00 0.05 -0.28 0.00 -0.87 0.00 0.00 58.31 57.22 2ff0 n LYS 94 Cb 0.00 -1.14 -0.08 0.00 0.02 0.00 0.00 35.03 33.83 2ff0 n LYS 94 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2ff0 n PHE 95 N -2.80 1.48 0.04 5.64 3.72 -1.26 -4.51 117.46 119.78 2ff0 n PHE 95 Ca -0.15 -2.25 -0.04 0.00 -0.05 0.00 0.00 57.45 54.96 2ff0 n PHE 95 Cb 0.66 -1.81 -0.02 0.00 -0.94 0.00 0.00 39.48 37.37 2ff0 n PHE 95 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2ff0 h GLY 96 N 5.34 -0.23 0.26 1.37 0.00 -1.92 -3.27 103.07 104.62 2ff0 h GLY 96 Ca 0.51 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.98 2ff0 h GLY 96 CO 1.01 -0.08 -0.21 -0.56 0.00 0.00 0.00 176.54 176.70 2ff0 h PRO 97 N -1.05 -0.22 0.00 4.80 0.13 -2.00 -0.95 132.00 132.71 2ff0 h PRO 97 Ca -0.02 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2ff0 h PRO 97 Cb 0.18 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.36 2ff0 h PRO 97 CO 0.04 -0.15 -0.03 0.00 -0.23 0.00 0.00 178.00 177.63 2ff0 h MET 98 N -0.23 0.00 -0.04 0.86 -0.00 -1.92 0.11 114.93 113.72 2ff0 h MET 98 Ca 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.80 2ff0 h MET 98 Cb 0.42 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2ff0 h MET 98 CO -0.34 0.03 -0.06 -0.92 -0.00 0.00 0.00 176.91 175.62 2ff0 h TYR 99 N 0.00 0.13 -0.67 -0.10 3.20 -1.34 -1.62 116.97 116.57 2ff0 h TYR 99 Ca -0.00 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 2ff0 h TYR 99 Cb 0.05 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 2ff0 h TYR 99 CO 0.00 0.63 0.30 0.87 -1.64 0.00 0.00 178.16 178.32 2ff0 h LYS 100 N -0.41 0.98 -0.35 1.82 1.57 -0.59 -2.08 116.57 117.52 2ff0 h LYS 100 Ca 0.00 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2ff0 h LYS 100 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2ff0 h LYS 100 CO 0.01 0.80 0.12 -0.09 -0.57 0.00 0.00 179.45 179.73 2ff0 h ARG 101 N 0.94 0.53 -0.27 3.15 9.65 -0.80 0.27 114.38 127.85 2ff0 h ARG 101 Ca 0.23 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 2ff0 h ARG 101 Cb 0.16 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2ff0 h ARG 101 CO -0.02 0.54 0.15 0.22 2.80 0.00 0.00 179.97 183.65 2ff0 h ASP 102 N 0.41 0.34 -0.46 -3.80 1.82 -1.15 -1.18 116.42 112.40 2ff0 h ASP 102 Ca 0.11 -0.09 -0.12 0.00 -0.39 0.00 0.00 57.03 56.54 2ff0 h ASP 102 Cb 0.22 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 2ff0 h ASP 102 CO -0.01 0.34 -0.16 -0.09 -1.61 0.00 0.00 179.24 177.71 2ff0 h ARG 103 N 0.32 0.96 -0.13 0.28 2.43 -1.29 -1.41 114.38 115.55 2ff0 h ARG 103 Ca 0.10 -0.37 0.02 0.00 -0.81 0.00 0.00 59.98 58.91 2ff0 h ARG 103 Cb 0.08 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2ff0 h ARG 103 CO -0.01 1.04 0.01 0.00 -1.51 0.00 0.00 179.97 179.50 2ff0 h ALA 104 N 0.96 0.12 -0.39 2.80 0.00 -0.11 0.28 119.26 122.92 2ff0 h ALA 104 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2ff0 h ALA 104 Cb 0.72 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ff0 h ALA 104 CO 0.06 -0.44 -0.14 -0.07 0.00 0.00 0.00 179.25 178.65 2ff0 h LEU 105 N 0.06 0.70 0.21 0.00 3.38 -1.18 0.79 115.31 119.28 2ff0 h LEU 105 Ca 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2ff0 h LEU 105 Cb 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2ff0 h LEU 105 CO -0.09 0.86 -0.10 0.50 0.09 0.00 0.00 178.44 179.70 2ff0 h LYS 106 N 0.64 -0.27 0.00 1.13 3.64 -0.70 -2.92 116.57 118.09 2ff0 h LYS 106 Ca 0.11 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 2ff0 h LYS 106 Cb 0.60 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2ff0 h LYS 106 CO 0.04 -0.07 -0.12 1.96 -2.27 0.00 0.00 179.45 178.99 2ff0 h GLN 107 N -0.44 0.00 -5.77 1.90 1.08 -0.38 -3.40 115.11 108.11 2ff0 h GLN 107 Ca -0.03 0.00 -0.40 0.00 -1.45 0.00 0.00 58.65 56.77 2ff0 h GLN 107 Cb 0.33 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 2ff0 h GLN 107 CO 0.05 0.12 1.08 -1.14 -0.95 0.00 0.00 178.83 177.99 2ff0 s GLN 108 N -3.58 2.89 -0.29 1.46 0.74 0.26 -4.85 119.66 116.29 2ff0 s GLN 108 Ca 0.02 -0.76 -0.02 0.00 0.05 0.00 0.00 55.36 54.64 2ff0 s GLN 108 Cb 0.09 -5.20 0.10 0.00 1.10 0.00 0.00 33.01 29.10 2ff0 s GLN 108 CO 0.61 -3.14 0.10 0.15 -0.55 0.00 0.00 175.29 172.46 2ff0 s LYS 109 N 6.24 0.55 0.21 1.67 -0.14 -1.26 -4.92 119.74 122.10 2ff0 s LYS 109 Ca 0.63 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 54.38 2ff0 s LYS 109 Cb -0.03 -1.75 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2ff0 s LYS 109 CO 0.00 -0.97 0.00 1.17 -0.76 0.00 0.00 175.35 174.79 2ff0 n LYS 110 N 4.98 -3.14 0.00 1.68 4.81 -1.26 -5.24 118.16 119.99 2ff0 n LYS 110 Ca -0.04 2.29 0.14 0.00 -0.87 0.00 0.00 58.31 59.83 2ff0 n LYS 110 Cb 0.42 -2.48 0.53 0.00 0.02 0.00 0.00 35.03 33.52 2ff0 n LYS 110 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57