#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncf n ASP 12 N 0.00 -0.53 -3.99 3.17 8.00 -1.26 -5.00 116.55 116.94 1ncf n ASP 12 Ca 0.00 1.01 -0.10 0.00 0.71 0.00 0.00 54.79 56.42 1ncf n ASP 12 Cb 0.00 -0.83 -0.06 0.00 -0.02 0.00 0.00 41.12 40.21 1ncf n ASP 12 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ncf s SER 13 N -0.42 -0.04 -0.01 -2.24 1.04 -1.26 -5.07 113.70 105.70 1ncf s SER 13 Ca 0.69 -0.94 -0.23 0.00 0.48 0.00 0.00 55.95 55.96 1ncf s SER 13 Cb -0.98 0.52 -0.19 0.00 0.10 0.00 0.00 66.02 65.46 1ncf s SER 13 CO 0.50 -1.03 1.20 0.58 0.98 0.00 0.00 173.24 175.47 1ncf h VAL 14 N 2.38 1.43 -2.80 5.02 2.07 -1.97 -3.44 116.25 118.94 1ncf h VAL 14 Ca -0.29 -1.56 -0.59 0.00 0.82 0.00 0.00 66.70 65.09 1ncf h VAL 14 Cb 1.24 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 33.26 1ncf h VAL 14 CO 0.41 0.44 -0.51 0.00 0.02 0.00 0.00 177.57 177.92 1ncf n PRO 16 N -0.08 -0.56 -1.68 0.00 -0.02 -1.26 -4.79 135.00 126.60 1ncf n PRO 16 Ca -0.07 -0.12 -0.45 0.00 -2.02 0.00 0.00 63.50 60.85 1ncf n PRO 16 Cb 0.53 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1ncf n PRO 16 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1ncf n GLN 17 N -2.68 2.19 -0.72 -0.52 -0.06 -1.26 -1.18 117.38 113.14 1ncf n GLN 17 Ca 0.08 0.78 0.00 0.00 -2.00 0.00 0.00 57.00 55.86 1ncf n GLN 17 Cb 0.54 -2.50 0.00 0.00 -4.06 0.00 0.00 30.24 24.22 1ncf n GLN 17 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ncf n GLY 18 N 2.61 0.78 3.38 1.69 0.00 -1.26 -5.05 105.19 107.33 1ncf n GLY 18 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1ncf n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ncf s LYS 19 N -0.28 1.42 0.16 1.61 1.02 -0.33 -1.16 119.74 122.18 1ncf s LYS 19 Ca 0.00 -1.64 0.06 0.00 0.02 0.00 0.00 55.97 54.42 1ncf s LYS 19 Cb 0.00 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.98 1ncf s LYS 19 CO 0.00 0.22 -0.13 1.52 -0.92 0.00 0.00 175.35 176.04 1ncf s TYR 20 N -2.85 1.47 0.02 3.18 1.13 0.91 -4.70 117.35 116.51 1ncf s TYR 20 Ca 0.24 -0.62 -0.30 0.00 -1.41 0.00 0.00 57.07 54.98 1ncf s TYR 20 Cb -0.02 -0.73 -0.04 0.00 -1.10 0.00 0.00 41.96 40.07 1ncf s TYR 20 CO 0.09 0.20 1.10 -1.50 -2.51 0.00 0.00 175.55 172.93 1ncf s ILE 21 N -2.75 4.42 0.13 -3.49 1.10 -1.26 -0.40 121.20 118.94 1ncf s ILE 21 Ca 0.16 1.74 -0.32 0.00 -0.51 0.00 0.00 60.65 61.71 1ncf s ILE 21 Cb -0.01 -4.11 -0.12 0.00 0.15 0.00 0.00 42.46 38.36 1ncf s ILE 21 CO 0.04 0.12 1.75 1.57 -2.11 0.00 0.00 174.94 176.31 1ncf n HIS 22 N 4.06 2.53 0.29 3.50 -0.00 0.60 -4.88 115.22 121.31 1ncf n HIS 22 Ca 0.08 0.02 0.15 0.00 -0.00 0.00 0.00 57.72 57.97 1ncf n HIS 22 Cb 0.48 -2.66 0.87 0.00 -0.00 0.00 0.00 29.99 28.68 1ncf n HIS 22 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ncf h PRO 23 N 7.56 0.00 -0.01 1.57 0.13 -1.93 -2.46 132.00 136.86 1ncf h PRO 23 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ncf h PRO 23 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ncf h PRO 23 CO 0.93 0.05 -0.68 1.04 -0.23 0.00 0.00 178.00 179.11 1ncf n GLN 24 N -3.64 0.45 -3.31 0.86 1.13 -1.26 -4.85 117.38 106.77 1ncf n GLN 24 Ca -0.02 -0.35 -0.03 0.00 -1.94 0.00 0.00 57.00 54.65 1ncf n GLN 24 Cb 0.15 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.96 1ncf n GLN 24 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ncf s ASN 25 N -2.79 -0.51 0.00 1.08 3.84 -0.93 -5.02 114.94 110.61 1ncf s ASN 25 Ca 0.13 0.61 0.13 0.00 0.21 0.00 0.00 52.86 53.94 1ncf s ASN 25 Cb 0.17 1.61 0.58 0.00 -0.55 0.00 0.00 41.25 43.07 1ncf s ASN 25 CO 0.71 -0.27 1.36 0.59 -2.79 0.00 0.00 177.10 176.70 1ncf n ASN 26 N 5.40 0.00 -0.82 -4.21 5.03 -1.26 -2.32 115.26 117.08 1ncf n ASN 26 Ca -0.03 0.31 0.12 0.00 0.87 0.00 0.00 54.58 55.85 1ncf n ASN 26 Cb 0.50 -0.40 0.28 0.00 -1.02 0.00 0.00 39.78 39.14 1ncf n ASN 26 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ncf n SER 27 N -1.40 2.51 -4.22 6.41 7.64 -1.26 -4.91 113.62 118.39 1ncf n SER 27 Ca 0.04 -1.83 -0.29 0.00 1.01 0.00 0.00 58.87 57.81 1ncf n SER 27 Cb 0.12 -0.07 -0.16 0.00 -1.01 0.00 0.00 64.21 63.09 1ncf n SER 27 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1ncf s ILE 28 N -1.85 1.79 -0.07 0.44 1.01 -0.98 -5.03 121.20 116.51 1ncf s ILE 28 Ca 0.34 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1ncf s ILE 28 Cb 0.20 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 1ncf s ILE 28 CO 0.31 0.50 -0.20 0.00 0.00 0.00 0.00 174.94 175.55 1ncf s THR 31 N -1.20 3.30 0.85 0.00 2.01 -1.26 -0.06 115.64 119.28 1ncf s THR 31 Ca 0.19 1.19 -0.11 0.00 0.31 0.00 0.00 61.69 63.26 1ncf s THR 31 Cb -0.10 -3.76 0.10 0.00 0.01 0.00 0.00 72.50 68.75 1ncf s THR 31 CO 0.11 0.24 1.10 -0.54 -0.69 0.00 0.00 174.62 174.83 1ncf s LYS 32 N -0.92 1.66 0.36 4.92 1.02 -0.31 -4.60 119.74 121.87 1ncf s LYS 32 Ca 0.50 0.73 -0.16 0.00 0.02 0.00 0.00 55.97 57.06 1ncf s LYS 32 Cb -0.35 -1.86 -0.09 0.00 -0.52 0.00 0.00 37.83 35.01 1ncf s LYS 32 CO 0.42 -1.94 0.79 0.00 -0.92 0.00 0.00 175.35 173.70 1ncf s HIS 34 N -2.08 3.37 0.41 0.00 0.09 -1.26 -0.49 115.29 115.32 1ncf s HIS 34 Ca 0.56 0.60 -0.27 0.00 -0.00 0.00 0.00 55.06 55.95 1ncf s HIS 34 Cb -0.10 -2.45 -0.10 0.00 -0.00 0.00 0.00 32.58 29.93 1ncf s HIS 34 CO 0.18 -0.49 1.46 0.36 -0.00 0.00 0.00 174.74 176.25 1ncf n LYS 35 N -2.32 2.49 -0.02 1.40 2.85 -1.24 -1.96 118.16 119.35 1ncf n LYS 35 Ca 0.02 0.88 0.00 0.00 -1.05 0.00 0.00 58.31 58.16 1ncf n LYS 35 Cb 0.57 -2.64 0.00 0.00 -0.65 0.00 0.00 35.03 32.31 1ncf n LYS 35 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ncf n GLY 36 N 0.51 0.42 3.28 2.58 0.00 -0.51 -4.77 105.19 106.70 1ncf n GLY 36 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1ncf n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ncf s THR 37 N -2.15 0.78 0.16 2.61 -4.23 -0.83 -0.38 115.64 111.60 1ncf s THR 37 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1ncf s THR 37 Cb 0.00 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.53 1ncf s THR 37 CO 0.00 -0.35 -0.00 -0.72 -0.54 0.00 0.00 174.62 173.00 1ncf s TYR 38 N -3.59 1.15 -0.43 3.99 1.13 -0.27 -4.71 117.35 114.62 1ncf s TYR 38 Ca 0.27 -1.02 -0.29 0.00 -1.41 0.00 0.00 57.07 54.63 1ncf s TYR 38 Cb 0.06 -0.66 0.01 0.00 -1.10 0.00 0.00 41.96 40.27 1ncf s TYR 38 CO 0.07 -0.22 1.43 -1.17 -2.51 0.00 0.00 175.55 173.15 1ncf s LEU 39 N -3.15 3.55 -0.09 -3.49 2.96 0.12 -1.88 118.68 116.70 1ncf s LEU 39 Ca 0.22 0.76 -0.12 0.00 -0.22 0.00 0.00 54.13 54.77 1ncf s LEU 39 Cb 0.06 -3.47 -0.28 0.00 0.50 0.00 0.00 46.19 43.00 1ncf s LEU 39 CO 0.03 -1.49 0.54 0.22 -1.32 0.00 0.00 176.35 174.33 1ncf h TYR 40 N 10.87 0.56 -2.59 5.38 3.20 -1.20 -3.39 116.97 129.81 1ncf h TYR 40 Ca -0.28 -0.41 -0.10 0.00 3.14 0.00 0.00 58.73 61.08 1ncf h TYR 40 Cb 1.11 -0.02 -0.23 0.00 1.54 0.00 0.00 36.73 39.12 1ncf h TYR 40 CO 0.98 1.67 -0.16 -0.80 -1.64 0.00 0.00 178.16 178.20 1ncf s ASN 41 N -7.14 -0.50 0.83 -2.11 0.01 -0.86 -5.01 114.94 100.15 1ncf s ASN 41 Ca -0.19 0.96 -0.11 0.00 -0.71 0.00 0.00 52.86 52.81 1ncf s ASN 41 Cb 0.05 0.97 0.09 0.00 0.41 0.00 0.00 41.25 42.77 1ncf s ASN 41 CO 0.80 -0.17 1.12 -1.81 -1.51 0.00 0.00 177.10 175.53 1ncf s ASP 42 N 0.30 3.82 0.44 -1.22 1.01 -1.26 -1.10 116.67 118.66 1ncf s ASP 42 Ca -0.00 2.02 -0.26 0.00 0.71 0.00 0.00 52.55 55.02 1ncf s ASP 42 Cb -0.03 -2.55 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 1ncf s ASP 42 CO 0.00 -2.50 1.42 0.00 0.21 0.00 0.00 175.17 174.30 1ncf n PRO 44 N -0.12 0.58 0.00 0.00 -0.04 -1.26 -4.92 135.00 129.23 1ncf n PRO 44 Ca 0.05 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1ncf n PRO 44 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 1ncf n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ncf n GLY 45 N 1.13 0.47 0.30 0.55 0.00 -1.26 -5.02 105.19 101.36 1ncf n GLY 45 Ca 0.17 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.46 1ncf n GLY 45 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ncf h PRO 46 N 0.00 0.09 -0.56 1.61 0.11 -1.91 -1.53 132.00 129.81 1ncf h PRO 46 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ncf h PRO 46 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 1ncf h PRO 46 CO 0.00 0.06 0.00 0.41 -0.21 0.00 0.00 178.00 178.26 1ncf n GLY 47 N -1.44 1.72 3.95 -0.55 0.00 -1.26 -4.94 105.19 102.68 1ncf n GLY 47 Ca 0.16 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.30 1ncf n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ncf s GLN 48 N -1.26 3.17 0.22 1.61 -1.52 -0.58 -5.07 119.66 116.23 1ncf s GLN 48 Ca 0.40 -0.51 -0.14 0.00 -1.95 0.00 0.00 55.36 53.16 1ncf s GLN 48 Cb 0.21 -2.61 -0.08 0.00 -0.22 0.00 0.00 33.01 30.31 1ncf s GLN 48 CO 0.28 -0.14 0.62 0.34 -0.25 0.00 0.00 175.29 176.14 1ncf s ASP 49 N -4.17 6.79 0.40 5.90 2.15 -1.26 -4.79 116.67 121.69 1ncf s ASP 49 Ca 0.46 1.13 -0.24 0.00 0.43 0.00 0.00 52.55 54.33 1ncf s ASP 49 Cb -0.10 -2.31 -0.09 0.00 -0.30 0.00 0.00 42.92 40.13 1ncf s ASP 49 CO 0.37 -0.03 1.07 -0.89 -0.17 0.00 0.00 175.17 175.52 1ncf s THR 50 N -1.69 3.63 -0.65 1.71 2.01 -1.26 -4.38 115.64 115.01 1ncf s THR 50 Ca 0.45 1.26 -0.20 0.00 0.31 0.00 0.00 61.69 63.51 1ncf s THR 50 Cb -0.13 -3.65 0.10 0.00 0.01 0.00 0.00 72.50 68.82 1ncf s THR 50 CO 0.20 0.02 0.83 -0.62 -0.69 0.00 0.00 174.62 174.35 1ncf s ASP 51 N -1.51 6.23 -0.13 3.53 -1.08 -0.26 -4.91 116.67 118.54 1ncf s ASP 51 Ca 0.58 -1.38 -0.04 0.00 -0.52 0.00 0.00 52.55 51.19 1ncf s ASP 51 Cb -0.23 -2.34 -0.03 0.00 -1.46 0.00 0.00 42.92 38.85 1ncf s ASP 51 CO 0.29 -1.20 0.00 0.00 0.52 0.00 0.00 175.17 174.78 1ncf s ARG 53 N -0.15 1.79 0.50 0.00 1.81 -0.79 -4.90 118.95 117.22 1ncf s ARG 53 Ca 0.04 -1.14 -0.23 0.00 -1.72 0.00 0.00 55.73 52.69 1ncf s ARG 53 Cb -0.13 -2.04 -0.06 0.00 -0.45 0.00 0.00 34.95 32.27 1ncf s ARG 53 CO 0.02 0.50 1.35 -2.00 -0.68 0.00 0.00 175.30 174.50 1ncf s GLU 54 N -1.62 3.39 0.43 3.54 2.12 -1.26 -1.11 118.70 124.18 1ncf s GLU 54 Ca 0.14 2.23 -0.25 0.00 0.36 0.00 0.00 54.97 57.45 1ncf s GLU 54 Cb -0.10 -2.40 -0.08 0.00 0.26 0.00 0.00 34.13 31.80 1ncf s GLU 54 CO 0.05 -0.99 1.31 0.00 -0.54 0.00 0.00 175.26 175.09 1ncf s GLU 56 N -2.37 3.17 0.16 0.00 2.56 -1.26 -4.92 118.70 116.04 1ncf s GLU 56 Ca 0.59 1.45 -0.34 0.00 0.00 0.00 0.00 54.97 56.67 1ncf s GLU 56 Cb -0.38 -2.00 -0.15 0.00 2.00 0.00 0.00 34.13 33.61 1ncf s GLU 56 CO 0.48 -0.97 1.46 0.45 -0.56 0.00 0.00 175.26 176.12 1ncf n SER 57 N -1.81 2.56 0.00 -1.70 2.88 -1.26 -1.95 113.62 112.34 1ncf n SER 57 Ca 0.11 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1ncf n SER 57 Cb 0.52 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1ncf n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ncf n GLY 58 N 2.84 0.71 3.24 0.46 0.00 -1.26 -5.07 105.19 106.11 1ncf n GLY 58 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1ncf n GLY 58 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ncf s SER 59 N -2.60 0.32 0.17 1.61 0.01 -0.82 -1.88 113.70 110.52 1ncf s SER 59 Ca 0.00 -1.40 -0.24 0.00 1.31 0.00 0.00 55.95 55.61 1ncf s SER 59 Cb 0.00 0.42 0.06 0.00 0.21 0.00 0.00 66.02 66.70 1ncf s SER 59 CO 0.00 -0.89 0.93 0.72 0.41 0.00 0.00 173.24 174.40 1ncf s PHE 60 N -4.05 -0.13 -0.06 2.43 -0.71 0.03 -4.28 117.98 111.20 1ncf s PHE 60 Ca 0.38 -0.20 -0.03 0.00 -1.04 0.00 0.00 56.93 56.04 1ncf s PHE 60 Cb 0.06 0.65 0.04 0.00 -1.21 0.00 0.00 43.02 42.56 1ncf s PHE 60 CO 0.14 -0.90 0.11 0.95 -1.34 0.00 0.00 175.22 174.18 1ncf s THR 61 N -3.36 -0.17 -2.62 -4.49 -4.23 -0.51 -0.84 115.64 99.42 1ncf s THR 61 Ca 0.12 0.35 0.25 0.00 -1.18 0.00 0.00 61.69 61.23 1ncf s THR 61 Cb -0.02 -0.22 0.40 0.00 1.34 0.00 0.00 72.50 74.00 1ncf s THR 61 CO 0.03 0.15 1.51 0.00 -0.54 0.00 0.00 174.62 175.77 1ncf n ALA 62 N 5.10 2.51 -3.40 3.99 0.00 -1.26 -1.42 120.51 126.02 1ncf n ALA 62 Ca -0.08 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 1ncf n ALA 62 Cb 0.50 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1ncf n ALA 62 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ncf s SER 63 N -1.86 -0.17 0.41 0.00 1.04 -1.26 -4.89 113.70 106.97 1ncf s SER 63 Ca 0.34 -0.77 -0.26 0.00 0.48 0.00 0.00 55.95 55.75 1ncf s SER 63 Cb 0.20 0.63 -0.10 0.00 0.10 0.00 0.00 66.02 66.85 1ncf s SER 63 CO 0.31 -1.19 1.25 -1.84 0.98 0.00 0.00 173.24 172.75 1ncf n GLU 64 N -0.40 1.90 -3.88 4.02 0.28 -1.26 -3.65 120.64 117.66 1ncf n GLU 64 Ca -0.04 0.68 -0.04 0.00 -0.16 0.00 0.00 57.16 57.60 1ncf n GLU 64 Cb 0.61 -2.35 0.02 0.00 1.43 0.00 0.00 31.44 31.15 1ncf n GLU 64 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ncf s ASN 65 N -0.53 0.00 -0.33 -1.84 2.20 0.35 -4.93 114.94 109.86 1ncf s ASN 65 Ca 0.61 -0.73 0.16 0.00 -0.94 0.00 0.00 52.86 51.96 1ncf s ASN 65 Cb -0.52 0.54 0.45 0.00 -2.00 0.00 0.00 41.25 39.72 1ncf s ASN 65 CO 0.58 -1.07 1.10 0.00 -2.94 0.00 0.00 177.10 174.77 1ncf n HIS 66 N -0.68 0.12 -2.96 1.54 1.44 -1.26 0.10 115.22 113.52 1ncf n HIS 66 Ca -0.03 -2.45 -0.37 0.00 -2.01 0.00 0.00 57.72 52.85 1ncf n HIS 66 Cb 0.59 0.22 -0.06 0.00 0.12 0.00 0.00 29.99 30.86 1ncf n HIS 66 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1ncf s LEU 67 N -3.27 4.43 -0.05 2.39 1.43 -1.26 -4.75 118.68 117.60 1ncf s LEU 67 Ca 0.25 1.63 0.10 0.00 -1.03 0.00 0.00 54.13 55.08 1ncf s LEU 67 Cb 0.43 -3.62 0.38 0.00 0.03 0.00 0.00 46.19 43.40 1ncf s LEU 67 CO -0.01 0.06 1.23 0.54 0.23 0.00 0.00 176.35 178.41 1ncf n ARG 68 N 0.96 2.35 -3.58 1.70 1.74 -1.26 0.11 116.66 118.68 1ncf n ARG 68 Ca -0.02 -1.50 -0.15 0.00 -0.77 0.00 0.00 57.85 55.41 1ncf n ARG 68 Cb 0.50 -1.54 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 1ncf n ARG 68 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ncf s HIS 69 N -1.65 -0.48 0.41 -1.55 3.76 -1.26 -4.83 115.29 109.68 1ncf s HIS 69 Ca 0.27 0.70 -0.01 0.00 -0.15 0.00 0.00 55.06 55.87 1ncf s HIS 69 Cb 0.17 0.34 -0.02 0.00 1.11 0.00 0.00 32.58 34.17 1ncf s HIS 69 CO 0.14 -0.60 0.64 0.00 -0.85 0.00 0.00 174.74 174.08 1ncf s LEU 71 N -4.49 4.35 0.33 0.00 1.43 -0.02 -4.82 118.68 115.46 1ncf s LEU 71 Ca 0.44 0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 53.85 1ncf s LEU 71 Cb -0.10 -2.83 -0.10 0.00 0.03 0.00 0.00 46.19 43.19 1ncf s LEU 71 CO 0.39 0.21 1.22 -0.94 0.23 0.00 0.00 176.35 177.45 1ncf s SER 72 N -1.86 6.88 0.39 2.29 1.04 -1.26 -0.79 113.70 120.39 1ncf s SER 72 Ca 0.31 2.50 -0.27 0.00 0.48 0.00 0.00 55.95 58.96 1ncf s SER 72 Cb -0.13 -2.64 -0.10 0.00 0.10 0.00 0.00 66.02 63.25 1ncf s SER 72 CO 0.18 -0.44 1.45 0.00 0.98 0.00 0.00 173.24 175.42 1ncf s SER 74 N -0.28 6.00 0.11 0.00 0.01 -1.26 -4.99 113.70 113.30 1ncf s SER 74 Ca 0.55 1.65 -0.03 0.00 1.31 0.00 0.00 55.95 59.42 1ncf s SER 74 Cb -0.45 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.22 1ncf s SER 74 CO 0.60 -1.02 0.32 -0.54 0.41 0.00 0.00 173.24 173.02 1ncf s LYS 75 N -4.42 3.56 0.33 12.44 -0.14 -1.26 -4.63 119.74 125.62 1ncf s LYS 75 Ca 0.60 -0.20 -0.23 0.00 -1.36 0.00 0.00 55.97 54.78 1ncf s LYS 75 Cb -0.13 -2.92 -0.10 0.00 -1.68 0.00 0.00 37.83 33.00 1ncf s LYS 75 CO 0.41 0.52 0.89 0.00 -0.76 0.00 0.00 175.35 176.41 1ncf s ARG 77 N -2.40 3.07 0.48 0.00 0.52 -1.26 -4.86 118.95 114.49 1ncf s ARG 77 Ca 0.52 0.16 0.19 0.00 -0.52 0.00 0.00 55.73 56.09 1ncf s ARG 77 Cb -0.15 -4.22 1.18 0.00 0.52 0.00 0.00 34.95 32.27 1ncf s ARG 77 CO 0.20 -2.25 2.03 0.87 0.02 0.00 0.00 175.30 176.16 1ncf h LYS 78 N 11.62 0.00 0.00 3.54 1.57 -1.94 0.29 116.57 131.65 1ncf h LYS 78 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1ncf h LYS 78 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1ncf h LYS 78 CO 1.24 0.16 0.00 -0.85 -0.57 0.00 0.00 179.45 179.43 1ncf n GLU 79 N -4.07 0.10 -0.14 3.15 0.00 -1.26 -1.75 120.64 116.66 1ncf n GLU 79 Ca -0.02 0.32 0.08 0.00 0.00 0.00 0.00 57.16 57.54 1ncf n GLU 79 Cb 0.24 -1.69 0.15 0.00 0.00 0.00 0.00 31.44 30.15 1ncf n GLU 79 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1ncf n MET 80 N -1.88 2.11 -1.07 3.44 2.81 0.03 -4.95 117.12 117.62 1ncf n MET 80 Ca 0.03 -1.92 -0.02 0.00 -1.81 0.00 0.00 57.70 53.98 1ncf n MET 80 Cb 0.22 -1.35 -0.01 0.00 -0.71 0.00 0.00 33.22 31.37 1ncf n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ncf n GLY 81 N 0.92 0.57 3.81 3.03 0.00 -0.72 -0.88 105.19 111.93 1ncf n GLY 81 Ca 0.13 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 1ncf n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ncf s GLN 82 N -1.54 3.83 0.05 1.61 -0.21 -0.82 -4.70 119.66 117.88 1ncf s GLN 82 Ca 0.00 1.22 0.03 0.00 0.02 0.00 0.00 55.36 56.64 1ncf s GLN 82 Cb 0.00 -2.11 -0.03 0.00 1.00 0.00 0.00 33.01 31.88 1ncf s GLN 82 CO 0.00 -0.39 -0.10 0.14 -2.12 0.00 0.00 175.29 172.82 1ncf s VAL 83 N -2.20 0.77 -0.16 1.09 -7.23 -0.28 -4.51 120.40 107.89 1ncf s VAL 83 Ca 0.64 -1.19 -0.29 0.00 -1.81 0.00 0.00 61.98 59.33 1ncf s VAL 83 Cb -0.14 -0.81 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 1ncf s VAL 83 CO 0.23 -0.33 1.21 -0.70 -0.31 0.00 0.00 175.10 175.20 1ncf s GLU 84 N -1.69 4.26 0.00 4.82 2.12 -1.26 -0.67 118.70 126.28 1ncf s GLU 84 Ca -0.06 1.60 0.18 0.00 0.36 0.00 0.00 54.97 57.05 1ncf s GLU 84 Cb -0.10 -3.70 -0.18 0.00 0.26 0.00 0.00 34.13 30.41 1ncf s GLU 84 CO 0.01 -0.64 0.76 0.44 -0.54 0.00 0.00 175.26 175.30 1ncf n ILE 85 N 5.21 0.00 -3.66 -3.70 -5.35 0.64 -4.88 119.36 107.62 1ncf n ILE 85 Ca 0.13 -0.09 -0.06 0.00 -0.27 0.00 0.00 62.75 62.46 1ncf n ILE 85 Cb 0.45 1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 39.29 1ncf n ILE 85 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1ncf s SER 86 N -2.65 -0.56 0.64 7.28 0.15 -0.79 -4.98 113.70 112.79 1ncf s SER 86 Ca 0.07 1.19 -0.17 0.00 0.70 0.00 0.00 55.95 57.74 1ncf s SER 86 Cb 0.14 1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 66.09 1ncf s SER 86 CO 0.72 -0.23 1.19 -0.94 1.20 0.00 0.00 173.24 175.18 1ncf s SER 87 N 2.68 4.92 0.24 5.45 1.04 -1.26 -0.80 113.70 125.96 1ncf s SER 87 Ca -0.03 2.30 -0.30 0.00 0.48 0.00 0.00 55.95 58.40 1ncf s SER 87 Cb -0.12 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.32 1ncf s SER 87 CO -0.15 -1.77 1.40 0.00 0.98 0.00 0.00 173.24 173.70 1ncf s THR 89 N -0.04 1.60 0.57 0.00 -4.23 0.04 -4.91 115.64 108.66 1ncf s THR 89 Ca 0.58 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.34 1ncf s THR 89 Cb -0.40 -2.67 0.34 0.00 1.34 0.00 0.00 72.50 71.10 1ncf s THR 89 CO 0.42 0.00 2.16 -0.37 -0.54 0.00 0.00 174.62 176.30 1ncf h VAL 90 N 1.65 0.66 -0.30 2.29 -1.51 -1.92 -2.28 116.25 114.84 1ncf h VAL 90 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 1ncf h VAL 90 Cb 1.27 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1ncf h VAL 90 CO 0.77 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.21 1ncf n ASP 91 N -4.07 2.77 -3.70 4.19 5.75 -1.26 -1.42 116.55 118.82 1ncf n ASP 91 Ca -0.01 -1.94 -0.11 0.00 -0.01 0.00 0.00 54.79 52.72 1ncf n ASP 91 Cb 0.20 -0.20 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 1ncf n ASP 91 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1ncf s ARG 92 N -0.99 0.48 0.78 0.11 3.52 -0.86 -4.02 118.95 117.97 1ncf s ARG 92 Ca 0.21 0.76 -0.11 0.00 -0.13 0.00 0.00 55.73 56.46 1ncf s ARG 92 Cb 0.11 0.11 0.06 0.00 -1.56 0.00 0.00 34.95 33.67 1ncf s ARG 92 CO 0.15 -0.12 1.09 0.34 -0.81 0.00 0.00 175.30 175.94 1ncf s ASP 93 N 0.94 4.57 0.10 -2.12 2.15 -1.26 -0.78 116.67 120.27 1ncf s ASP 93 Ca -0.06 1.48 -0.36 0.00 0.43 0.00 0.00 52.55 54.04 1ncf s ASP 93 Cb -0.06 -2.24 -0.17 0.00 -0.30 0.00 0.00 42.92 40.15 1ncf s ASP 93 CO -0.08 -1.94 1.19 0.41 -0.17 0.00 0.00 175.17 174.59 1ncf n THR 94 N -3.43 0.35 -3.63 1.71 -1.04 -1.26 -4.65 114.28 102.33 1ncf n THR 94 Ca 0.07 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 1ncf n THR 94 Cb 0.55 -0.62 -0.11 0.00 -1.82 0.00 0.00 70.33 68.33 1ncf n THR 94 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ncf s VAL 95 N 0.12 5.23 0.10 12.58 1.01 0.02 -4.93 120.40 134.53 1ncf s VAL 95 Ca 0.82 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.96 1ncf s VAL 95 Cb -0.99 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 1ncf s VAL 95 CO 0.51 0.28 0.16 0.00 0.00 0.00 0.00 175.10 176.05 1ncf n GLY 97 N 0.13 3.21 3.45 0.00 0.00 0.15 -4.77 105.19 107.36 1ncf n GLY 97 Ca -0.07 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 1ncf n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncf s ARG 99 N -3.63 0.71 0.58 0.00 0.52 -1.26 -4.91 118.95 110.96 1ncf s ARG 99 Ca 0.29 0.64 -0.20 0.00 -0.52 0.00 0.00 55.73 55.94 1ncf s ARG 99 Cb 0.00 -1.76 -0.04 0.00 0.52 0.00 0.00 34.95 33.68 1ncf s ARG 99 CO 0.13 -2.57 1.29 1.17 0.02 0.00 0.00 175.30 175.34 1ncf n LYS 100 N -4.08 1.43 -1.39 3.54 4.81 -1.26 -2.46 118.16 118.74 1ncf n LYS 100 Ca 0.06 0.53 -0.11 0.00 -0.87 0.00 0.00 58.31 57.92 1ncf n LYS 100 Cb 0.56 -2.51 -0.04 0.00 0.02 0.00 0.00 35.03 33.06 1ncf n LYS 100 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ncf n ASN 101 N -1.22 -4.24 -4.10 3.14 3.02 -1.26 -5.00 115.26 105.60 1ncf n ASN 101 Ca 0.12 0.24 -0.19 0.00 -0.03 0.00 0.00 54.58 54.72 1ncf n ASN 101 Cb 0.46 -2.76 -0.14 0.00 -0.61 0.00 0.00 39.78 36.73 1ncf n ASN 101 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1ncf s GLN 102 N -3.06 0.87 0.17 3.52 -0.21 -1.03 -1.22 119.66 118.71 1ncf s GLN 102 Ca 0.00 -0.61 0.11 0.00 0.02 0.00 0.00 55.36 54.88 1ncf s GLN 102 Cb 0.00 -0.85 -0.04 0.00 1.00 0.00 0.00 33.01 33.12 1ncf s GLN 102 CO 0.00 0.22 -0.24 1.52 -2.12 0.00 0.00 175.29 174.66 1ncf s TYR 103 N -0.66 2.24 -0.06 0.91 1.13 0.12 -4.77 117.35 116.27 1ncf s TYR 103 Ca 0.02 -0.38 -0.21 0.00 -1.41 0.00 0.00 57.07 55.09 1ncf s TYR 103 Cb -0.07 -1.15 -0.04 0.00 -1.10 0.00 0.00 41.96 39.60 1ncf s TYR 103 CO 0.01 0.43 0.62 1.03 -2.51 0.00 0.00 175.55 175.12 1ncf s ARG 104 N -2.46 4.38 -0.28 -3.49 0.52 0.28 -1.11 118.95 116.79 1ncf s ARG 104 Ca 0.18 0.75 -0.06 0.00 -0.52 0.00 0.00 55.73 56.08 1ncf s ARG 104 Cb -0.08 -3.41 0.01 0.00 0.52 0.00 0.00 34.95 31.98 1ncf s ARG 104 CO 0.08 0.18 0.05 -1.58 0.02 0.00 0.00 175.30 174.05 1ncf s HIS 105 N 0.46 3.13 -0.29 -0.53 5.65 0.53 -4.36 115.29 119.88 1ncf s HIS 105 Ca 0.33 -1.11 -0.24 0.00 0.25 0.00 0.00 55.06 54.30 1ncf s HIS 105 Cb -0.17 -2.21 -0.00 0.00 -1.18 0.00 0.00 32.58 29.01 1ncf s HIS 105 CO 0.16 -0.61 0.79 0.71 -0.65 0.00 0.00 174.74 175.15 1ncf s TYR 106 N 1.46 3.23 -0.25 3.88 1.51 -1.26 -0.33 117.35 125.59 1ncf s TYR 106 Ca 0.02 0.90 0.18 0.00 -1.01 0.00 0.00 57.07 57.16 1ncf s TYR 106 Cb -0.17 -3.16 0.16 0.00 -0.11 0.00 0.00 41.96 38.68 1ncf s TYR 106 CO 0.01 -0.51 1.50 -1.49 -1.11 0.00 0.00 175.55 173.95 1ncf h TRP 107 N 7.99 0.00 -2.64 2.71 4.06 0.00 -3.48 115.95 124.60 1ncf h TRP 107 Ca -0.24 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.65 1ncf h TRP 107 Cb 1.10 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.25 1ncf h TRP 107 CO 0.77 0.33 0.05 -1.13 -3.56 0.00 0.00 178.44 174.90 1ncf n SER 108 N -3.18 -0.88 -0.18 -3.49 3.41 -1.03 -4.97 113.62 103.29 1ncf n SER 108 Ca 0.03 -1.78 -0.02 0.00 -0.26 0.00 0.00 58.87 56.84 1ncf n SER 108 Cb 0.67 1.51 0.20 0.00 -0.26 0.00 0.00 64.21 66.33 1ncf n SER 108 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ncf h GLU 109 N 0.00 0.93 -0.08 4.33 4.22 -2.03 -3.15 114.58 118.81 1ncf h GLU 109 Ca -0.14 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.17 1ncf h GLU 109 Cb 0.56 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1ncf h GLU 109 CO 0.18 0.73 0.00 0.09 -2.18 0.00 0.00 179.01 177.83 1ncf n ASN 110 N -4.34 1.96 -4.14 1.04 3.02 -1.26 -4.95 115.26 106.59 1ncf n ASN 110 Ca 0.06 -1.52 -0.33 0.00 -0.03 0.00 0.00 54.58 52.75 1ncf n ASN 110 Cb 0.14 -0.05 -0.15 0.00 -0.61 0.00 0.00 39.78 39.11 1ncf n ASN 110 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ncf s LEU 111 N -0.77 2.52 0.07 3.41 2.96 -1.19 -5.07 118.68 120.62 1ncf s LEU 111 Ca 0.12 -0.76 0.05 0.00 -0.22 0.00 0.00 54.13 53.31 1ncf s LEU 111 Cb 0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 1ncf s LEU 111 CO 0.10 -0.05 -0.14 0.72 -1.32 0.00 0.00 176.35 175.67 1ncf s PHE 112 N 1.28 1.23 -0.02 5.38 -0.12 -1.26 0.78 117.98 125.25 1ncf s PHE 112 Ca 0.02 -0.46 0.08 0.00 -0.05 0.00 0.00 56.93 56.52 1ncf s PHE 112 Cb -0.15 -0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 1ncf s PHE 112 CO -0.10 0.06 -0.25 -1.14 -0.05 0.00 0.00 175.22 173.74 1ncf s GLN 113 N -1.73 2.10 -0.09 1.99 0.74 0.55 -4.87 119.66 118.35 1ncf s GLN 113 Ca -0.02 -0.90 -0.26 0.00 0.05 0.00 0.00 55.36 54.23 1ncf s GLN 113 Cb -0.10 -2.00 -0.03 0.00 1.10 0.00 0.00 33.01 31.98 1ncf s GLN 113 CO 0.02 0.53 0.83 0.00 -0.55 0.00 0.00 175.29 176.12 1ncf s PHE 115 N 1.35 1.56 0.13 0.00 0.08 -0.27 -4.84 117.98 115.99 1ncf s PHE 115 Ca 0.42 -0.44 -0.30 0.00 0.12 0.00 0.00 56.93 56.72 1ncf s PHE 115 Cb -0.18 -0.86 -0.07 0.00 -0.57 0.00 0.00 43.02 41.34 1ncf s PHE 115 CO 0.19 0.15 1.25 -0.80 -0.10 0.00 0.00 175.22 175.91 1ncf s ASN 116 N -1.88 7.01 0.27 1.36 0.01 -1.26 -0.70 114.94 119.74 1ncf s ASN 116 Ca 0.04 2.19 -0.30 0.00 -0.71 0.00 0.00 52.86 54.07 1ncf s ASN 116 Cb -0.10 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 38.86 1ncf s ASN 116 CO 0.04 -0.48 1.55 0.00 -1.51 0.00 0.00 177.10 176.70 1ncf s SER 118 N 0.53 5.45 0.50 0.00 0.01 -1.26 -4.95 113.70 113.99 1ncf s SER 118 Ca 0.63 1.81 0.07 0.00 1.31 0.00 0.00 55.95 59.77 1ncf s SER 118 Cb -0.46 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.27 1ncf s SER 118 CO 0.45 -1.39 0.49 -0.76 0.41 0.00 0.00 173.24 172.43 1ncf s LEU 119 N -4.92 3.05 -0.84 2.44 1.43 -1.26 -4.61 118.68 113.97 1ncf s LEU 119 Ca 0.63 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1ncf s LEU 119 Cb -0.16 -1.62 0.21 0.00 0.03 0.00 0.00 46.19 44.64 1ncf s LEU 119 CO 0.43 -1.00 0.73 0.00 0.23 0.00 0.00 176.35 176.75 1ncf s LEU 121 N -1.56 4.28 0.00 0.00 1.02 -1.26 -2.17 118.68 119.00 1ncf s LEU 121 Ca 0.28 2.06 0.00 0.00 0.02 0.00 0.00 54.13 56.49 1ncf s LEU 121 Cb -0.04 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.63 1ncf s LEU 121 CO -0.12 -0.82 0.00 0.59 0.02 0.00 0.00 176.35 176.01 1ncf n ASN 122 N 6.47 -3.09 0.00 2.29 3.02 -1.26 -4.05 115.26 118.64 1ncf n ASN 122 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1ncf n ASN 122 Cb 0.43 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1ncf n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ncf n GLY 123 N -1.75 5.60 3.25 7.41 0.00 -0.92 0.04 105.19 118.82 1ncf n GLY 123 Ca 0.00 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1ncf n GLY 123 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ncf s THR 124 N -0.26 0.00 -0.10 2.61 -1.32 0.25 -4.65 115.64 112.17 1ncf s THR 124 Ca 0.00 -0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.15 1ncf s THR 124 Cb 0.00 -0.52 -0.08 0.00 -1.51 0.00 0.00 72.50 70.40 1ncf s THR 124 CO 0.00 -0.02 2.09 0.52 -2.21 0.00 0.00 174.62 175.00 1ncf n VAL 125 N 2.75 0.55 0.01 5.08 0.31 -1.26 -0.82 118.33 124.95 1ncf n VAL 125 Ca -0.14 -0.28 -0.22 0.00 -0.01 0.00 0.00 64.34 63.69 1ncf n VAL 125 Cb 0.57 -2.36 -0.14 0.00 -0.91 0.00 0.00 33.84 31.00 1ncf n VAL 125 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1ncf h HIS 126 N 12.52 0.48 -3.32 3.52 6.17 0.01 -3.46 115.15 131.07 1ncf h HIS 126 Ca -0.45 -0.35 -0.43 0.00 0.71 0.00 0.00 60.37 59.85 1ncf h HIS 126 Cb 1.25 -0.02 -0.37 0.00 2.52 0.00 0.00 27.41 30.79 1ncf h HIS 126 CO 0.94 1.63 -0.77 -0.51 0.71 0.00 0.00 177.93 179.93 1ncf s LEU 127 N -7.41 0.89 0.90 0.26 1.43 -0.71 -4.99 118.68 109.04 1ncf s LEU 127 Ca -0.20 -0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 1ncf s LEU 127 Cb 0.05 -0.47 0.14 0.00 0.03 0.00 0.00 46.19 45.94 1ncf s LEU 127 CO 0.77 -0.14 1.15 -0.44 0.23 0.00 0.00 176.35 177.92 1ncf s SER 128 N 1.59 3.00 0.15 2.29 0.01 -1.26 -0.97 113.70 118.51 1ncf s SER 128 Ca -0.01 2.19 -0.31 0.00 1.31 0.00 0.00 55.95 59.13 1ncf s SER 128 Cb -0.13 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 1ncf s SER 128 CO -0.04 -3.05 1.50 0.00 0.41 0.00 0.00 173.24 172.06 1ncf s GLN 130 N 1.01 2.50 0.33 0.00 -0.21 0.81 -4.93 119.66 119.17 1ncf s GLN 130 Ca 0.67 -1.58 0.07 0.00 0.02 0.00 0.00 55.36 54.55 1ncf s GLN 130 Cb -0.41 -2.36 0.77 0.00 1.00 0.00 0.00 33.01 32.00 1ncf s GLN 130 CO 0.32 -0.25 1.83 1.49 -2.12 0.00 0.00 175.29 176.56 1ncf h GLU 131 N 0.98 0.73 0.00 2.91 4.81 -1.94 -2.57 114.58 119.49 1ncf h GLU 131 Ca -0.41 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 1ncf h GLU 131 Cb 1.27 -0.16 -0.08 0.00 0.63 0.00 0.00 28.75 30.41 1ncf h GLU 131 CO 0.57 0.48 -0.49 1.63 -0.73 0.00 0.00 179.01 180.47 1ncf n LYS 132 N -4.63 1.05 -3.69 1.92 5.02 -1.26 -0.55 118.16 116.01 1ncf n LYS 132 Ca 0.20 -2.67 -0.10 0.00 -2.02 0.00 0.00 58.31 53.72 1ncf n LYS 132 Cb 0.51 -1.16 -0.11 0.00 -0.02 0.00 0.00 35.03 34.25 1ncf n LYS 132 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1ncf s GLN 133 N -2.21 0.41 0.73 1.97 0.74 -0.97 -4.75 119.66 115.59 1ncf s GLN 133 Ca 0.32 0.80 -0.12 0.00 0.05 0.00 0.00 55.36 56.41 1ncf s GLN 133 Cb 0.32 -0.01 0.04 0.00 1.10 0.00 0.00 33.01 34.46 1ncf s GLN 133 CO -0.06 -0.16 1.10 1.21 -0.55 0.00 0.00 175.29 176.84 1ncf s ASN 134 N 1.38 4.66 0.28 6.67 2.47 -1.26 -0.13 114.94 129.00 1ncf s ASN 134 Ca -0.09 1.92 -0.30 0.00 0.42 0.00 0.00 52.86 54.81 1ncf s ASN 134 Cb -0.08 -2.54 -0.13 0.00 -1.45 0.00 0.00 41.25 37.05 1ncf s ASN 134 CO -0.13 -1.93 1.26 0.41 -3.72 0.00 0.00 177.10 172.99 1ncf n THR 135 N -3.10 1.49 -3.63 -5.21 -1.04 -1.26 -4.65 114.28 96.88 1ncf n THR 135 Ca 0.10 -0.37 -0.40 0.00 -2.04 0.00 0.00 64.05 61.33 1ncf n THR 135 Cb 0.52 -1.35 -0.11 0.00 -1.82 0.00 0.00 70.33 67.57 1ncf n THR 135 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ncf s VAL 136 N -0.61 4.40 0.18 12.58 1.01 -0.15 -4.80 120.40 133.01 1ncf s VAL 136 Ca 0.63 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1ncf s VAL 136 Cb -0.65 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 1ncf s VAL 136 CO 0.56 -0.25 0.45 0.00 0.00 0.00 0.00 175.10 175.86 1ncf s THR 138 N -1.74 0.95 0.67 0.00 -1.32 -0.00 -4.78 115.64 109.42 1ncf s THR 138 Ca 0.43 -0.58 -0.15 0.00 -1.21 0.00 0.00 61.69 60.18 1ncf s THR 138 Cb -0.12 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.68 1ncf s THR 138 CO 0.24 0.06 1.14 0.00 -2.21 0.00 0.00 174.62 173.84 1ncf s HIS 140 N -2.22 2.88 0.01 0.00 3.76 0.11 -4.75 115.29 115.08 1ncf s HIS 140 Ca 0.69 1.07 -0.33 0.00 -0.15 0.00 0.00 55.06 56.34 1ncf s HIS 140 Cb -0.23 -3.17 -0.12 0.00 1.11 0.00 0.00 32.58 30.17 1ncf s HIS 140 CO 0.42 -1.75 1.82 0.00 -0.85 0.00 0.00 174.74 174.37 1ncf n ALA 141 N -3.40 1.25 0.00 -1.40 0.00 -1.26 -2.50 120.51 113.19 1ncf n ALA 141 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1ncf n ALA 141 Cb 0.57 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1ncf n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ncf n GLY 142 N 4.17 3.36 3.91 0.00 0.00 -1.26 -5.07 105.19 110.30 1ncf n GLY 142 Ca 0.20 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1ncf n GLY 142 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ncf s PHE 143 N -0.02 3.48 0.17 1.61 0.08 -1.04 -5.11 117.98 117.15 1ncf s PHE 143 Ca 0.00 0.54 0.11 0.00 0.12 0.00 0.00 56.93 57.70 1ncf s PHE 143 Cb 0.00 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1ncf s PHE 143 CO 0.00 0.22 -0.24 -0.59 -0.10 0.00 0.00 175.22 174.51 1ncf s PHE 144 N -2.05 2.23 0.09 0.36 -0.71 -1.26 -4.55 117.98 112.09 1ncf s PHE 144 Ca 0.42 -0.38 -0.31 0.00 -1.04 0.00 0.00 56.93 55.63 1ncf s PHE 144 Cb -0.11 -1.14 -0.07 0.00 -1.21 0.00 0.00 43.02 40.50 1ncf s PHE 144 CO 0.30 0.43 1.33 -1.17 -1.34 0.00 0.00 175.22 174.77 1ncf s LEU 145 N -2.49 4.37 -0.36 -1.99 2.96 -1.26 -4.40 118.68 115.51 1ncf s LEU 145 Ca 0.18 2.21 0.01 0.00 -0.22 0.00 0.00 54.13 56.31 1ncf s LEU 145 Cb -0.08 -3.58 0.15 0.00 0.50 0.00 0.00 46.19 43.17 1ncf s LEU 145 CO 0.08 -0.60 0.29 -0.13 -1.32 0.00 0.00 176.35 174.68 1ncf s ARG 146 N 1.17 0.59 7.97 1.98 3.00 -0.54 -5.00 118.95 128.11 1ncf s ARG 146 Ca 0.63 -1.10 0.00 0.00 0.00 0.00 0.00 55.73 55.26 1ncf s ARG 146 Cb -0.34 -1.02 0.00 0.00 0.00 0.00 0.00 34.95 33.59 1ncf s ARG 146 CO 0.30 -1.20 0.00 -1.91 0.00 0.00 0.00 175.30 172.48 1ncf n GLU 147 N 4.15 0.00 -0.00 3.54 4.07 -1.26 -2.68 120.64 128.46 1ncf n GLU 147 Ca 0.11 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.34 1ncf n GLU 147 Cb 0.41 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 32.00 1ncf n GLU 147 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1ncf n ASN 148 N 8.93 2.62 -4.02 4.31 0.23 -1.26 -4.93 115.26 121.14 1ncf n ASN 148 Ca 0.00 -1.87 -0.14 0.00 -0.53 0.00 0.00 54.58 52.04 1ncf n ASN 148 Cb 0.00 -0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.57 1ncf n ASN 148 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1ncf s GLU 149 N -1.99 0.48 0.00 -3.83 2.02 -1.09 -4.88 118.70 109.41 1ncf s GLU 149 Ca 0.31 -0.56 0.31 0.00 0.02 0.00 0.00 54.97 55.05 1ncf s GLU 149 Cb 0.20 -0.32 1.71 0.00 0.10 0.00 0.00 34.13 35.82 1ncf s GLU 149 CO 0.31 0.07 2.11 0.00 0.02 0.00 0.00 175.26 177.77