#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cnu s ILE 3 N 0.00 2.70 0.37 -0.61 1.01 -1.26 -4.98 121.20 118.43 1cnu s ILE 3 Ca 0.00 0.54 0.01 0.00 0.00 0.00 0.00 60.65 61.19 1cnu s ILE 3 Cb 0.00 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1cnu s ILE 3 CO 0.00 0.06 0.57 0.00 0.00 0.00 0.00 174.94 175.57 1cnu s ALA 4 N 0.67 3.75 -0.25 9.38 0.00 -0.85 -4.91 121.76 129.54 1cnu s ALA 4 Ca 0.65 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 1cnu s ALA 4 Cb -0.42 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 1cnu s ALA 4 CO 0.36 -0.11 0.08 0.08 0.00 0.00 0.00 175.76 176.16 1cnu s VAL 5 N -2.37 4.34 0.57 0.00 1.01 -1.26 0.85 120.40 123.55 1cnu s VAL 5 Ca 0.42 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.04 1cnu s VAL 5 Cb -0.10 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1cnu s VAL 5 CO 0.36 0.33 1.20 -0.94 0.00 0.00 0.00 175.10 176.05 1cnu s SER 6 N 1.62 5.35 0.44 3.32 1.04 -0.51 -4.86 113.70 120.10 1cnu s SER 6 Ca 0.06 2.37 0.15 0.00 0.48 0.00 0.00 55.95 59.01 1cnu s SER 6 Cb -0.15 -2.60 1.06 0.00 0.10 0.00 0.00 66.02 64.43 1cnu s SER 6 CO 0.04 -1.49 1.99 0.44 0.98 0.00 0.00 173.24 175.20 1cnu h ASP 7 N 1.04 0.34 -0.11 7.02 3.32 -1.98 -1.43 116.42 124.61 1cnu h ASP 7 Ca -0.50 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1cnu h ASP 7 Cb 1.29 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1cnu h ASP 7 CO 0.56 0.20 -0.10 -0.78 -1.72 0.00 0.00 179.24 177.40 1cnu h ASP 8 N 0.37 0.41 -0.30 6.45 3.58 -1.94 -0.71 116.42 124.28 1cnu h ASP 8 Ca 0.27 -0.10 0.07 0.00 0.42 0.00 0.00 57.03 57.69 1cnu h ASP 8 Cb 0.55 -0.11 -0.08 0.00 1.72 0.00 0.00 39.33 41.42 1cnu h ASP 8 CO -0.07 0.56 -0.24 0.00 -2.88 0.00 0.00 179.24 176.61 1cnu h VAL 10 N -0.21 0.97 0.23 0.00 2.07 -1.57 -0.94 116.25 116.79 1cnu h VAL 10 Ca 0.16 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1cnu h VAL 10 Cb 0.46 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1cnu h VAL 10 CO -0.43 0.07 -0.18 -0.61 0.02 0.00 0.00 177.57 176.44 1cnu h GLN 11 N 0.37 -0.40 -0.42 1.57 5.75 -0.23 0.41 115.11 122.17 1cnu h GLN 11 Ca 0.16 0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.64 1cnu h GLN 11 Cb 0.08 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 1cnu h GLN 11 CO -0.12 -0.27 0.06 0.87 -2.65 0.00 0.00 178.83 176.72 1cnu h LYS 12 N -0.42 0.64 -0.65 1.69 6.56 -0.53 -2.45 116.57 121.40 1cnu h LYS 12 Ca -0.01 -0.13 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1cnu h LYS 12 Cb 0.37 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.90 1cnu h LYS 12 CO -0.01 0.61 0.42 0.35 -2.06 0.00 0.00 179.45 178.77 1cnu h PHE 13 N 0.62 0.83 -0.21 -1.35 3.57 -0.32 -1.82 116.94 118.25 1cnu h PHE 13 Ca 0.14 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1cnu h PHE 13 Cb 0.29 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1cnu h PHE 13 CO 0.01 0.53 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.49 1cnu h ASN 14 N 0.88 0.37 -0.01 0.41 -0.26 0.12 0.28 115.58 117.38 1cnu h ASN 14 Ca 0.24 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.86 1cnu h ASN 14 Cb -0.08 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.07 1cnu h ASN 14 CO -0.05 0.61 0.01 -0.33 -1.06 0.00 0.00 177.43 176.61 1cnu h GLU 15 N 0.34 0.02 0.00 0.81 5.08 -1.15 0.82 114.58 120.51 1cnu h GLU 15 Ca 0.06 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1cnu h GLU 15 Cb 0.59 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1cnu h GLU 15 CO 0.04 0.17 -0.00 1.25 -1.00 0.00 0.00 179.01 179.47 1cnu h LEU 16 N -0.13 -0.00 -0.06 1.33 6.46 -1.14 -0.65 115.31 121.12 1cnu h LEU 16 Ca 0.00 -0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.58 1cnu h LEU 16 Cb 0.15 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.09 1cnu h LEU 16 CO -0.00 0.03 -0.59 0.50 -0.62 0.00 0.00 178.44 177.76 1cnu h LYS 17 N -0.03 0.50 0.17 1.25 3.64 -0.71 -1.25 116.57 120.14 1cnu h LYS 17 Ca -0.00 -0.46 -0.33 0.00 -1.27 0.00 0.00 60.65 58.59 1cnu h LYS 17 Cb 0.03 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1cnu h LYS 17 CO 0.00 1.10 -1.65 -0.07 -2.27 0.00 0.00 179.45 176.55 1cnu h LEU 18 N 0.07 0.55 -3.03 5.20 4.07 0.57 -3.39 115.31 119.35 1cnu h LEU 18 Ca -0.06 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 56.98 1cnu h LEU 18 Cb 1.26 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1cnu h LEU 18 CO 0.12 1.74 0.00 0.61 -1.08 0.00 0.00 178.44 179.83 1cnu n GLY 19 N 1.83 3.61 4.19 0.83 0.00 -0.45 -4.98 105.19 110.21 1cnu n GLY 19 Ca -0.25 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1cnu n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1cnu n HIS 20 N -0.46 -1.67 0.09 1.61 8.25 -0.47 -4.82 115.22 117.75 1cnu n HIS 20 Ca 0.11 0.77 -0.02 0.00 -0.26 0.00 0.00 57.72 58.33 1cnu n HIS 20 Cb 0.53 -3.06 -0.05 0.00 1.12 0.00 0.00 29.99 28.52 1cnu n HIS 20 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1cnu h GLN 21 N -1.56 0.00 -5.17 -0.41 4.20 -1.30 -3.46 115.11 107.41 1cnu h GLN 21 Ca -0.60 0.00 -0.42 0.00 0.06 0.00 0.00 58.65 57.69 1cnu h GLN 21 Cb 1.38 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.92 1cnu h GLN 21 CO 0.75 0.63 -0.78 -1.01 -0.67 0.00 0.00 178.83 177.74 1cnu s HIS 22 N -2.85 1.12 0.17 2.96 3.76 -1.26 -3.39 115.29 115.81 1cnu s HIS 22 Ca 0.01 -0.35 0.03 0.00 -0.15 0.00 0.00 55.06 54.60 1cnu s HIS 22 Cb 0.09 -0.66 0.03 0.00 1.11 0.00 0.00 32.58 33.14 1cnu s HIS 22 CO 0.79 0.02 1.40 -0.09 -0.85 0.00 0.00 174.74 176.01 1cnu h ARG 23 N 4.95 0.19 -2.86 1.40 9.65 -1.19 -3.43 114.38 123.09 1cnu h ARG 23 Ca -0.37 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.31 1cnu h ARG 23 Cb 1.18 0.05 -0.13 0.00 -1.39 0.00 0.00 29.97 29.69 1cnu h ARG 23 CO 0.44 0.92 0.26 1.52 2.80 0.00 0.00 179.97 185.91 1cnu s TYR 24 N -3.28 -0.51 -0.03 2.20 -0.85 -1.26 -0.96 117.35 112.66 1cnu s TYR 24 Ca -0.03 0.33 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 1cnu s TYR 24 Cb 0.10 0.55 0.01 0.00 0.38 0.00 0.00 41.96 43.01 1cnu s TYR 24 CO 0.82 -0.80 -0.05 0.08 -1.52 0.00 0.00 175.55 174.09 1cnu s VAL 25 N -3.59 0.51 0.11 -3.49 1.01 -0.81 0.12 120.40 114.26 1cnu s VAL 25 Ca 0.01 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1cnu s VAL 25 Cb -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1cnu s VAL 25 CO -0.12 0.19 -0.05 0.42 0.00 0.00 0.00 175.10 175.55 1cnu s THR 26 N 0.57 3.65 0.01 3.92 -4.23 0.79 -0.85 115.64 119.51 1cnu s THR 26 Ca -0.07 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 1cnu s THR 26 Cb -0.11 -2.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 1cnu s THR 26 CO 0.00 0.07 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.65 1cnu s PHE 27 N -1.35 1.20 0.13 3.99 0.08 -0.09 -0.93 117.98 121.00 1cnu s PHE 27 Ca 0.24 -0.28 -0.04 0.00 0.12 0.00 0.00 56.93 56.97 1cnu s PHE 27 Cb -0.11 -0.74 -0.03 0.00 -0.57 0.00 0.00 43.02 41.57 1cnu s PHE 27 CO 0.16 0.01 0.13 -1.59 -0.10 0.00 0.00 175.22 173.83 1cnu s LYS 28 N -0.69 0.95 0.19 0.44 -2.85 -0.17 -1.31 119.74 116.30 1cnu s LYS 28 Ca 0.03 -1.29 -0.30 0.00 -1.00 0.00 0.00 55.97 53.41 1cnu s LYS 28 Cb -0.06 0.29 -0.09 0.00 -2.06 0.00 0.00 37.83 35.91 1cnu s LYS 28 CO 0.00 -0.29 1.33 -1.64 0.10 0.00 0.00 175.35 174.85 1cnu s MET 29 N -3.99 4.37 1.07 1.78 -1.94 -1.26 -0.32 119.30 119.01 1cnu s MET 29 Ca 0.18 2.08 -0.12 0.00 -1.71 0.00 0.00 55.69 56.12 1cnu s MET 29 Cb 0.06 -3.19 0.23 0.00 2.01 0.00 0.00 34.83 33.94 1cnu s MET 29 CO -0.01 -0.29 1.06 0.54 -0.01 0.00 0.00 175.02 176.31 1cnu s ASN 30 N 0.44 1.89 0.51 3.03 2.20 -0.61 -4.86 114.94 117.54 1cnu s ASN 30 Ca 0.58 1.37 0.16 0.00 -0.94 0.00 0.00 52.86 54.03 1cnu s ASN 30 Cb -0.37 -2.08 1.24 0.00 -2.00 0.00 0.00 41.25 38.04 1cnu s ASN 30 CO 0.38 -3.61 2.13 0.00 -2.94 0.00 0.00 177.10 173.05 1cnu h ALA 31 N -2.22 2.01 0.00 3.54 0.00 -1.95 -1.57 119.26 119.08 1cnu h ALA 31 Ca -0.57 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1cnu h ALA 31 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1cnu h ALA 31 CO 0.54 -0.03 -0.30 -1.13 0.00 0.00 0.00 179.25 178.33 1cnu n SER 32 N -4.52 0.71 -1.61 0.00 3.41 -1.26 -4.94 113.62 105.41 1cnu n SER 32 Ca -0.01 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.79 1cnu n SER 32 Cb 0.13 -0.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1cnu n SER 32 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1cnu n ASN 33 N -2.12 -4.25 -0.03 4.04 3.02 -0.59 -4.89 115.26 110.44 1cnu n ASN 33 Ca 0.05 -0.03 0.03 0.00 -0.03 0.00 0.00 54.58 54.59 1cnu n ASN 33 Cb 0.43 -3.39 -0.12 0.00 -0.61 0.00 0.00 39.78 36.09 1cnu n ASN 33 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1cnu n THR 34 N -4.02 0.36 -3.78 3.41 -1.04 -1.26 -4.87 114.28 103.08 1cnu n THR 34 Ca -0.15 -0.46 -0.11 0.00 -2.04 0.00 0.00 64.05 61.29 1cnu n THR 34 Cb 0.62 -0.13 -0.07 0.00 -1.82 0.00 0.00 70.33 68.93 1cnu n THR 34 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1cnu s GLU 35 N -2.85 0.83 -0.17 -2.82 2.12 -1.26 -2.01 118.70 112.55 1cnu s GLU 35 Ca -0.06 -0.64 -0.14 0.00 0.36 0.00 0.00 54.97 54.48 1cnu s GLU 35 Cb 0.08 0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.78 1cnu s GLU 35 CO 0.64 -0.27 0.32 0.54 -0.54 0.00 0.00 175.26 175.96 1cnu s VAL 36 N -2.97 5.28 0.31 3.70 0.11 0.25 -1.58 120.40 125.50 1cnu s VAL 36 Ca -0.02 0.60 0.08 0.00 -2.93 0.00 0.00 61.98 59.71 1cnu s VAL 36 Cb 0.01 -3.66 -0.06 0.00 -1.53 0.00 0.00 36.38 31.13 1cnu s VAL 36 CO -0.06 0.35 -0.07 0.68 -3.33 0.00 0.00 175.10 172.67 1cnu s VAL 37 N 0.68 1.90 0.06 2.04 -7.23 0.57 -1.42 120.40 117.00 1cnu s VAL 37 Ca 0.17 -2.16 -0.31 0.00 -1.81 0.00 0.00 61.98 57.88 1cnu s VAL 37 Cb -0.13 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.20 1cnu s VAL 37 CO 0.05 -0.25 1.19 -0.69 -0.31 0.00 0.00 175.10 175.09 1cnu s VAL 38 N -2.84 4.05 -0.10 1.32 1.01 -1.26 -1.00 120.40 121.58 1cnu s VAL 38 Ca 0.31 1.48 -0.10 0.00 0.00 0.00 0.00 61.98 63.67 1cnu s VAL 38 Cb 0.03 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1cnu s VAL 38 CO 0.14 0.12 -0.19 1.21 0.00 0.00 0.00 175.10 176.38 1cnu n GLU 39 N 3.88 0.30 -4.45 2.72 2.13 -0.11 -4.82 120.64 120.30 1cnu n GLU 39 Ca 0.09 0.17 -0.20 0.00 0.66 0.00 0.00 57.16 57.88 1cnu n GLU 39 Cb 0.46 -1.08 -0.15 0.00 0.27 0.00 0.00 31.44 30.95 1cnu n GLU 39 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1cnu s HIS 40 N -2.06 0.96 -0.23 4.31 3.76 -1.22 -4.98 115.29 115.84 1cnu s HIS 40 Ca -0.16 -0.19 -0.05 0.00 -0.15 0.00 0.00 55.06 54.51 1cnu s HIS 40 Cb 0.02 -0.62 -0.02 0.00 1.11 0.00 0.00 32.58 33.08 1cnu s HIS 40 CO 0.23 -0.01 -0.00 0.08 -0.85 0.00 0.00 174.74 174.19 1cnu s VAL 41 N -0.30 3.74 0.07 -0.90 1.01 -1.26 -0.15 120.40 122.62 1cnu s VAL 41 Ca 0.04 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1cnu s VAL 41 Cb -0.04 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 1cnu s VAL 41 CO -0.00 0.39 0.51 -0.83 0.00 0.00 0.00 175.10 175.17 1cnu s GLY 42 N 1.48 2.55 1.13 4.51 0.00 0.33 -4.98 107.32 112.34 1cnu s GLY 42 Ca 0.06 -0.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.52 1cnu s GLY 42 CO -0.00 0.26 1.09 -0.32 0.00 0.00 0.00 173.10 174.13 1cnu s GLY 43 N -1.30 1.56 0.37 0.20 0.00 -1.26 -2.67 107.32 104.21 1cnu s GLY 43 Ca 0.30 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.42 1cnu s GLY 43 CO 0.17 0.12 1.99 -0.56 0.00 0.00 0.00 173.10 174.83 1cnu h PRO 44 N -2.34 0.67 -0.58 2.90 0.13 -1.87 -1.86 132.00 129.05 1cnu h PRO 44 Ca -0.51 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1cnu h PRO 44 Cb 1.32 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1cnu h PRO 44 CO 0.46 0.49 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1cnu n ASN 45 N -4.41 4.79 -4.78 1.44 5.03 -1.26 -4.24 115.26 111.83 1cnu n ASN 45 Ca 0.04 -2.58 -0.35 0.00 0.87 0.00 0.00 54.58 52.56 1cnu n ASN 45 Cb 0.10 -0.58 -0.00 0.00 -1.02 0.00 0.00 39.78 38.27 1cnu n ASN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1cnu s ALA 46 N -2.08 2.77 0.51 5.41 0.00 -0.75 -5.02 121.76 122.59 1cnu s ALA 46 Ca 0.50 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1cnu s ALA 46 Cb 0.34 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 20.12 1cnu s ALA 46 CO 0.21 -0.70 0.73 0.95 0.00 0.00 0.00 175.76 176.94 1cnu s THR 47 N -1.74 3.23 0.19 0.00 -4.23 -1.26 -4.89 115.64 106.93 1cnu s THR 47 Ca 0.70 -0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 1cnu s THR 47 Cb -0.24 -3.20 0.11 0.00 1.34 0.00 0.00 72.50 70.51 1cnu s THR 47 CO 0.28 -0.14 1.75 0.22 -0.54 0.00 0.00 174.62 176.18 1cnu h TYR 48 N 0.22 0.33 -0.37 3.99 3.20 -2.00 -1.84 116.97 120.50 1cnu h TYR 48 Ca -0.44 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.45 1cnu h TYR 48 Cb 1.28 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 1cnu h TYR 48 CO 0.41 0.10 0.18 1.49 -1.64 0.00 0.00 178.16 178.69 1cnu h GLU 49 N 0.37 0.50 -0.93 1.82 4.57 -1.98 -1.77 114.58 117.16 1cnu h GLU 49 Ca 0.26 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1cnu h GLU 49 Cb 0.29 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.73 1cnu h GLU 49 CO -0.27 0.39 0.61 -0.44 -1.18 0.00 0.00 179.01 178.13 1cnu h ASP 50 N 0.51 1.02 0.16 1.04 3.32 -1.73 -0.12 116.42 120.61 1cnu h ASP 50 Ca 0.13 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1cnu h ASP 50 Cb 0.05 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1cnu h ASP 50 CO -0.02 0.70 -0.08 0.15 -1.72 0.00 0.00 179.24 178.28 1cnu h PHE 51 N 1.18 -0.20 -0.61 4.55 3.57 -1.07 -3.38 116.94 120.98 1cnu h PHE 51 Ca 0.37 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.93 1cnu h PHE 51 Cb -0.01 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1cnu h PHE 51 CO -0.00 -0.12 0.40 -0.22 -2.23 0.00 0.00 178.31 176.14 1cnu h LYS 52 N -0.73 0.55 0.00 1.11 3.64 -1.37 -2.49 116.57 117.28 1cnu h LYS 52 Ca -0.02 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1cnu h LYS 52 Cb 0.16 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1cnu h LYS 52 CO 0.04 0.36 -0.01 0.66 -2.27 0.00 0.00 179.45 178.23 1cnu h SER 53 N 0.57 0.00 -0.06 4.20 4.64 -1.19 -3.01 113.55 118.70 1cnu h SER 53 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1cnu h SER 53 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1cnu h SER 53 CO -0.08 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 1cnu n GLN 54 N -3.12 1.80 -1.95 4.77 1.13 -0.94 -4.95 117.38 114.12 1cnu n GLN 54 Ca 0.00 -1.72 -0.42 0.00 -1.94 0.00 0.00 57.00 52.92 1cnu n GLN 54 Cb 0.29 -1.38 -0.03 0.00 0.11 0.00 0.00 30.24 29.22 1cnu n GLN 54 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1cnu s LEU 55 N -1.61 4.37 0.13 1.08 1.43 -1.14 -4.92 118.68 118.02 1cnu s LEU 55 Ca 0.24 2.58 -0.31 0.00 -1.03 0.00 0.00 54.13 55.61 1cnu s LEU 55 Cb 0.17 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 1cnu s LEU 55 CO 0.25 -0.81 1.54 -2.16 0.23 0.00 0.00 176.35 175.39 1cnu s PRO 56 N 1.24 4.24 0.37 1.29 0.04 -1.26 -4.93 135.00 135.99 1cnu s PRO 56 Ca 0.70 2.28 0.05 0.00 0.04 0.00 0.00 61.00 64.06 1cnu s PRO 56 Cb -0.43 -3.28 0.73 0.00 0.04 0.00 0.00 34.50 31.56 1cnu s PRO 56 CO 0.31 -0.59 2.00 0.93 0.04 0.00 0.00 177.00 179.69 1cnu h GLU 57 N 7.14 0.63 -0.92 4.56 5.08 -1.99 -3.24 114.58 125.84 1cnu h GLU 57 Ca -0.42 -0.06 -0.52 0.00 -1.00 0.00 0.00 59.36 57.36 1cnu h GLU 57 Cb 1.20 -0.13 -0.42 0.00 0.50 0.00 0.00 28.75 29.90 1cnu h GLU 57 CO 0.91 0.46 -0.85 0.54 -1.00 0.00 0.00 179.01 179.07 1cnu n ARG 58 N -4.42 3.25 -3.60 2.33 1.74 -1.26 -4.50 116.66 110.20 1cnu n ARG 58 Ca 0.04 -4.14 -0.13 0.00 -0.77 0.00 0.00 57.85 52.85 1cnu n ARG 58 Cb 0.10 -2.15 -0.05 0.00 -1.02 0.00 0.00 32.46 29.33 1cnu n ARG 58 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1cnu s ASP 59 N -3.59 -0.39 0.32 0.55 -1.08 -1.22 -4.23 116.67 107.03 1cnu s ASP 59 Ca 0.46 0.07 -0.01 0.00 -0.52 0.00 0.00 52.55 52.55 1cnu s ASP 59 Cb 0.40 0.48 -0.04 0.00 -1.46 0.00 0.00 42.92 42.30 1cnu s ASP 59 CO -0.03 -0.73 0.54 0.00 0.52 0.00 0.00 175.17 175.47 1cnu s ARG 61 N -3.99 0.92 0.23 0.00 1.81 -0.47 -4.86 118.95 112.59 1cnu s ARG 61 Ca 0.41 -0.88 0.08 0.00 -1.72 0.00 0.00 55.73 53.62 1cnu s ARG 61 Cb -0.10 0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 34.75 1cnu s ARG 61 CO 0.34 -0.32 0.08 0.71 -0.68 0.00 0.00 175.30 175.43 1cnu s TYR 62 N -3.84 2.92 0.10 -0.53 2.02 -0.43 -0.61 117.35 116.98 1cnu s TYR 62 Ca 0.04 -0.14 -0.22 0.00 -0.37 0.00 0.00 57.07 56.38 1cnu s TYR 62 Cb 0.04 -1.35 0.06 0.00 -0.40 0.00 0.00 41.96 40.31 1cnu s TYR 62 CO -0.11 0.55 0.54 0.00 -1.57 0.00 0.00 175.55 174.96 1cnu s ALA 63 N -2.04 -1.40 -0.12 3.71 0.00 -0.19 -0.92 121.76 120.80 1cnu s ALA 63 Ca 0.31 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1cnu s ALA 63 Cb -0.08 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.69 1cnu s ALA 63 CO 0.22 -0.63 -0.12 0.42 0.00 0.00 0.00 175.76 175.65 1cnu s ILE 64 N -3.16 1.33 -0.15 0.00 -1.09 -0.03 -1.53 121.20 116.58 1cnu s ILE 64 Ca -0.01 -0.49 0.01 0.00 -2.23 0.00 0.00 60.65 57.92 1cnu s ILE 64 Cb -0.00 -1.27 0.00 0.00 -1.58 0.00 0.00 42.46 39.61 1cnu s ILE 64 CO -0.07 0.42 -0.17 0.12 -1.23 0.00 0.00 174.94 174.00 1cnu s PHE 65 N 1.45 2.75 -1.05 3.97 2.19 0.11 -1.92 117.98 125.49 1cnu s PHE 65 Ca 0.02 -1.13 -0.20 0.00 0.33 0.00 0.00 56.93 55.95 1cnu s PHE 65 Cb -0.13 -1.87 0.09 0.00 -1.31 0.00 0.00 43.02 39.80 1cnu s PHE 65 CO -0.08 -0.52 1.38 0.34 1.83 0.00 0.00 175.22 178.17 1cnu s ASP 66 N 0.84 6.66 -0.20 6.13 2.15 -0.13 -0.38 116.67 131.73 1cnu s ASP 66 Ca -0.05 -1.97 -0.29 0.00 0.43 0.00 0.00 52.55 50.66 1cnu s ASP 66 Cb -0.15 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1cnu s ASP 66 CO -0.01 -1.22 1.27 -0.47 -0.17 0.00 0.00 175.17 174.57 1cnu s TYR 67 N 3.69 2.80 -0.10 -5.34 5.04 0.51 -4.78 117.35 119.18 1cnu s TYR 67 Ca 0.42 0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 56.01 1cnu s TYR 67 Cb -0.01 -3.61 -0.03 0.00 0.35 0.00 0.00 41.96 38.65 1cnu s TYR 67 CO -0.06 -1.70 -0.03 -2.00 -1.34 0.00 0.00 175.55 170.42 1cnu s GLU 68 N 3.69 3.09 0.31 4.97 2.12 -1.26 0.18 118.70 131.80 1cnu s GLU 68 Ca 0.55 -0.47 -0.15 0.00 0.36 0.00 0.00 54.97 55.26 1cnu s GLU 68 Cb -0.20 -2.77 0.02 0.00 0.26 0.00 0.00 34.13 31.44 1cnu s GLU 68 CO 0.17 0.58 0.65 -0.59 -0.54 0.00 0.00 175.26 175.52 1cnu s PHE 69 N -0.55 0.20 -0.08 5.30 -0.71 -0.42 -5.00 117.98 116.72 1cnu s PHE 69 Ca 0.09 -0.66 0.03 0.00 -1.04 0.00 0.00 56.93 55.34 1cnu s PHE 69 Cb -0.12 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.19 1cnu s PHE 69 CO 0.02 -1.26 -0.17 -0.65 -1.34 0.00 0.00 175.22 171.82 1cnu s GLN 70 N -3.38 2.82 -0.27 1.99 -0.21 -1.26 -0.41 119.66 118.93 1cnu s GLN 70 Ca 0.18 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 54.82 1cnu s GLN 70 Cb -0.04 -2.40 0.07 0.00 1.00 0.00 0.00 33.01 31.64 1cnu s GLN 70 CO 0.10 0.41 -0.04 0.08 -2.12 0.00 0.00 175.29 173.73 1cnu s VAL 71 N -0.20 1.87 -1.40 1.09 1.01 -0.58 -4.71 120.40 117.48 1cnu s VAL 71 Ca -0.01 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.27 1cnu s VAL 71 Cb -0.13 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1cnu s VAL 71 CO 0.03 -0.23 0.98 0.47 0.00 0.00 0.00 175.10 176.35 1cnu n ASP 72 N 4.51 -6.25 0.00 3.32 8.00 -1.26 -1.83 116.55 123.03 1cnu n ASP 72 Ca -0.08 -0.45 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1cnu n ASP 72 Cb 0.43 -4.94 0.00 0.00 -0.02 0.00 0.00 41.12 36.59 1cnu n ASP 72 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cnu n GLY 73 N -1.83 1.81 3.85 0.44 0.00 -1.26 -4.99 105.19 103.20 1cnu n GLY 73 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1cnu n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cnu s GLY 74 N -2.00 2.44 0.28 -0.02 0.00 -0.76 -5.02 107.32 102.24 1cnu s GLY 74 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.28 1cnu s GLY 74 CO 0.00 0.12 1.10 -0.86 0.00 0.00 0.00 173.10 173.46 1cnu s GLN 75 N -2.06 4.62 0.03 2.90 0.00 -1.26 -1.53 119.66 122.36 1cnu s GLN 75 Ca 0.39 1.80 0.02 0.00 -0.00 0.00 0.00 55.36 57.57 1cnu s GLN 75 Cb -0.15 -3.17 -0.02 0.00 0.00 0.00 0.00 33.01 29.68 1cnu s GLN 75 CO 0.19 0.19 -0.07 1.03 0.00 0.00 0.00 175.29 176.64 1cnu s ARG 76 N -1.49 0.49 -0.02 9.60 1.81 0.45 -4.87 118.95 124.92 1cnu s ARG 76 Ca 0.45 -0.65 0.01 0.00 -1.72 0.00 0.00 55.73 53.82 1cnu s ARG 76 Cb -0.32 -0.28 0.01 0.00 -0.45 0.00 0.00 34.95 33.92 1cnu s ARG 76 CO 0.41 0.05 -0.02 -0.80 -0.68 0.00 0.00 175.30 174.26 1cnu s ASN 77 N -1.33 0.48 -0.12 0.23 0.02 -1.26 -1.31 114.94 111.65 1cnu s ASN 77 Ca -0.09 -0.06 -0.00 0.00 -1.02 0.00 0.00 52.86 51.70 1cnu s ASN 77 Cb -0.09 -0.17 0.02 0.00 0.02 0.00 0.00 41.25 41.03 1cnu s ASN 77 CO 0.00 -0.03 -0.10 -0.54 0.02 0.00 0.00 177.10 176.45 1cnu s LYS 78 N 0.54 1.75 -0.49 -0.60 -0.14 0.13 -4.94 119.74 115.98 1cnu s LYS 78 Ca -0.06 -0.35 -0.28 0.00 -1.36 0.00 0.00 55.97 53.93 1cnu s LYS 78 Cb -0.09 -1.73 0.01 0.00 -1.68 0.00 0.00 37.83 34.34 1cnu s LYS 78 CO -0.01 -0.25 1.47 0.42 -0.76 0.00 0.00 175.35 176.23 1cnu s ILE 79 N 1.61 3.78 -0.17 2.17 1.01 -1.26 -0.36 121.20 127.98 1cnu s ILE 79 Ca 0.04 0.71 -0.05 0.00 0.00 0.00 0.00 60.65 61.35 1cnu s ILE 79 Cb -0.13 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1cnu s ILE 79 CO -0.09 -0.95 0.01 -0.89 0.00 0.00 0.00 174.94 173.03 1cnu s THR 80 N 6.11 4.36 -0.24 2.92 2.01 0.49 -1.15 115.64 130.13 1cnu s THR 80 Ca 0.59 -0.19 -0.09 0.00 0.31 0.00 0.00 61.69 62.30 1cnu s THR 80 Cb -0.13 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 1cnu s THR 80 CO 0.28 0.48 0.12 0.12 -0.69 0.00 0.00 174.62 174.93 1cnu s PHE 81 N 0.31 3.21 -0.13 4.92 2.19 0.14 -0.72 117.98 127.91 1cnu s PHE 81 Ca -0.00 -0.01 0.02 0.00 0.33 0.00 0.00 56.93 57.27 1cnu s PHE 81 Cb -0.13 -2.24 0.00 0.00 -1.31 0.00 0.00 43.02 39.34 1cnu s PHE 81 CO 0.02 -0.08 -0.20 0.42 1.83 0.00 0.00 175.22 177.20 1cnu s ILE 82 N 1.22 2.28 -0.37 3.12 1.01 -0.58 0.54 121.20 128.42 1cnu s ILE 82 Ca 0.06 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 1cnu s ILE 82 Cb -0.14 -1.91 0.04 0.00 0.01 0.00 0.00 42.46 40.45 1cnu s ILE 82 CO 0.05 0.54 0.18 -0.22 0.00 0.00 0.00 174.94 175.49 1cnu s LEU 83 N 0.62 4.66 -0.32 2.97 0.20 -0.04 -1.02 118.68 125.75 1cnu s LEU 83 Ca -0.11 -1.11 -0.17 0.00 0.69 0.00 0.00 54.13 53.43 1cnu s LEU 83 Cb -0.16 -1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1cnu s LEU 83 CO 0.03 -0.39 0.47 0.86 -0.29 0.00 0.00 176.35 177.02 1cnu s TRP 84 N 1.49 3.21 -0.43 5.38 -0.11 0.22 -1.65 118.94 127.06 1cnu s TRP 84 Ca 0.01 0.28 0.07 0.00 1.22 0.00 0.00 56.10 57.68 1cnu s TRP 84 Cb -0.20 -2.79 0.24 0.00 -1.50 0.00 0.00 33.47 29.23 1cnu s TRP 84 CO 0.05 -0.42 0.64 0.00 -4.62 0.00 0.00 176.95 172.60 1cnu n ALA 85 N 5.58 1.07 -1.69 5.86 0.00 -0.68 -1.37 120.51 129.28 1cnu n ALA 85 Ca -0.06 -2.68 -0.39 0.00 0.00 0.00 0.00 53.44 50.31 1cnu n ALA 85 Cb 0.49 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.98 1cnu n ALA 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1cnu n PRO 86 N 1.55 1.52 -0.07 0.00 -0.04 -1.26 -4.40 135.00 132.30 1cnu n PRO 86 Ca 0.17 0.56 0.21 0.00 -0.04 0.00 0.00 63.50 64.40 1cnu n PRO 86 Cb 0.56 -2.38 0.66 0.00 -0.04 0.00 0.00 33.50 32.31 1cnu n PRO 86 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1cnu h ASP 87 N 1.37 0.07 1.48 3.54 3.32 -1.86 -0.79 116.42 123.55 1cnu h ASP 87 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1cnu h ASP 87 Cb 1.32 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1cnu h ASP 87 CO 0.56 0.04 0.00 0.28 -1.72 0.00 0.00 179.24 178.40 1cnu h SER 88 N 0.08 0.00 -4.11 6.45 0.02 -1.89 -3.46 113.55 110.64 1cnu h SER 88 Ca 0.31 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.73 1cnu h SER 88 Cb 1.13 0.00 0.12 0.00 0.14 0.00 0.00 62.40 63.79 1cnu h SER 88 CO -0.03 0.00 0.46 0.00 -1.14 0.00 0.00 176.83 176.12 1cnu s ALA 89 N -3.13 2.50 0.67 3.77 0.00 -0.31 -4.82 121.76 120.45 1cnu s ALA 89 Ca 0.10 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.88 1cnu s ALA 89 Cb 0.11 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1cnu s ALA 89 CO 0.59 -1.23 1.12 -2.14 0.00 0.00 0.00 175.76 174.11 1cnu s PRO 90 N -3.42 2.68 0.23 0.00 0.02 -1.26 -4.78 135.00 128.47 1cnu s PRO 90 Ca 0.76 1.44 -0.06 0.00 0.02 0.00 0.00 61.00 63.17 1cnu s PRO 90 Cb -0.30 -1.93 0.36 0.00 0.02 0.00 0.00 34.50 32.66 1cnu s PRO 90 CO 0.34 -1.35 1.77 0.82 -0.33 0.00 0.00 177.00 178.25 1cnu h ILE 91 N -0.05 0.82 -0.14 2.83 5.03 -1.95 0.01 117.51 124.07 1cnu h ILE 91 Ca -0.47 -0.20 0.04 0.00 -0.12 0.00 0.00 64.86 64.11 1cnu h ILE 91 Cb 1.25 0.18 -0.04 0.00 -3.03 0.00 0.00 36.82 35.18 1cnu h ILE 91 CO 0.53 0.11 -0.12 0.50 -0.68 0.00 0.00 178.15 178.49 1cnu h LYS 92 N 0.59 -0.13 0.44 2.37 3.64 -1.99 0.26 116.57 121.76 1cnu h LYS 92 Ca 0.37 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1cnu h LYS 92 Cb 0.41 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1cnu h LYS 92 CO -0.29 -0.09 -0.41 1.03 -2.27 0.00 0.00 179.45 177.42 1cnu h SER 93 N -0.14 -1.11 -0.89 4.20 0.87 -1.64 -0.24 113.55 114.60 1cnu h SER 93 Ca 0.09 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1cnu h SER 93 Cb 0.27 0.37 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 1cnu h SER 93 CO -0.22 -0.57 0.58 0.11 -0.53 0.00 0.00 176.83 176.20 1cnu h LYS 94 N -0.86 1.05 -0.40 2.24 1.57 -0.73 -1.82 116.57 117.63 1cnu h LYS 94 Ca -0.04 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1cnu h LYS 94 Cb 0.76 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1cnu h LYS 94 CO -0.05 0.69 -0.07 0.52 -0.57 0.00 0.00 179.45 179.98 1cnu h MET 95 N 1.08 0.75 -0.39 3.15 2.86 0.02 -1.74 114.93 120.66 1cnu h MET 95 Ca 0.36 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 1cnu h MET 95 Cb 0.08 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1cnu h MET 95 CO -0.12 0.87 0.22 0.52 1.06 0.00 0.00 176.91 179.46 1cnu h MET 96 N 0.56 0.43 -0.01 1.72 2.86 -0.22 -2.03 114.93 118.24 1cnu h MET 96 Ca 0.10 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 1cnu h MET 96 Cb 0.58 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1cnu h MET 96 CO 0.03 0.29 -0.66 1.88 1.06 0.00 0.00 176.91 179.51 1cnu h TYR 97 N 0.45 0.08 -0.12 -0.22 -1.99 -1.39 -2.39 116.97 111.38 1cnu h TYR 97 Ca 0.16 -0.04 -0.02 0.00 2.00 0.00 0.00 58.73 60.83 1cnu h TYR 97 Cb 0.02 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 1cnu h TYR 97 CO -0.08 0.70 0.01 1.15 -0.00 0.00 0.00 178.16 179.94 1cnu h THR 98 N 0.04 1.24 0.00 -2.88 2.02 -1.22 -1.01 112.91 111.11 1cnu h THR 98 Ca -0.01 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1cnu h THR 98 Cb 1.17 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1cnu h THR 98 CO 0.09 0.22 -0.22 0.77 0.37 0.00 0.00 175.52 176.76 1cnu h SER 99 N -0.04 0.00 0.31 4.18 4.64 -1.32 -2.99 113.55 118.33 1cnu h SER 99 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1cnu h SER 99 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1cnu h SER 99 CO 0.00 0.22 -0.78 0.41 -0.87 0.00 0.00 176.83 175.81 1cnu n THR 100 N -3.66 0.03 -0.28 2.95 -1.04 -0.91 -4.54 114.28 106.83 1cnu n THR 100 Ca -0.01 -0.05 0.05 0.00 -2.04 0.00 0.00 64.05 62.00 1cnu n THR 100 Cb 0.34 0.51 0.20 0.00 -1.82 0.00 0.00 70.33 69.55 1cnu n THR 100 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1cnu h LYS 101 N 0.00 0.57 -0.55 -2.82 2.10 -1.03 -2.27 116.57 112.57 1cnu h LYS 101 Ca 0.00 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.50 1cnu h LYS 101 Cb 0.54 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 31.73 1cnu h LYS 101 CO 0.00 0.38 -0.11 -0.44 -2.00 0.00 0.00 179.45 177.28 1cnu h ASP 102 N 0.59 1.04 0.04 7.07 3.32 -1.81 -1.90 116.42 124.77 1cnu h ASP 102 Ca 0.43 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1cnu h ASP 102 Cb 0.57 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1cnu h ASP 102 CO -0.35 1.15 -0.18 -1.28 -1.72 0.00 0.00 179.24 176.86 1cnu h SER 103 N 0.92 -0.51 -0.12 6.45 0.87 -1.72 0.11 113.55 119.55 1cnu h SER 103 Ca 0.14 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1cnu h SER 103 Cb 0.68 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1cnu h SER 103 CO 0.05 -0.25 0.03 -0.29 -0.53 0.00 0.00 176.83 175.85 1cnu h ILE 104 N -0.31 1.18 -0.61 2.23 2.10 -1.29 -2.62 117.51 118.20 1cnu h ILE 104 Ca 0.04 -0.56 0.07 0.00 1.08 0.00 0.00 64.86 65.49 1cnu h ILE 104 Cb 0.36 1.33 -0.06 0.00 -1.09 0.00 0.00 36.82 37.37 1cnu h ILE 104 CO -0.14 0.17 0.29 0.11 -1.08 0.00 0.00 178.15 177.49 1cnu h LYS 105 N 0.00 0.52 0.00 2.19 1.57 -1.26 -1.10 116.57 118.49 1cnu h LYS 105 Ca 0.04 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1cnu h LYS 105 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1cnu h LYS 105 CO -0.00 0.35 -0.21 0.87 -0.57 0.00 0.00 179.45 179.88 1cnu h LYS 106 N 0.54 0.00 0.00 3.15 1.57 -0.67 -2.35 116.57 118.81 1cnu h LYS 106 Ca 0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1cnu h LYS 106 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1cnu h LYS 106 CO -0.22 0.21 -0.40 0.87 -0.57 0.00 0.00 179.45 179.35 1cnu h LYS 107 N 0.00 0.00 -3.34 3.15 1.57 -0.87 -3.38 116.57 113.70 1cnu h LYS 107 Ca -0.00 0.00 -0.78 0.00 -1.87 0.00 0.00 60.65 58.00 1cnu h LYS 107 Cb 0.45 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.54 1cnu h LYS 107 CO 0.03 0.11 1.39 1.28 -0.57 0.00 0.00 179.45 181.69 1cnu n LEU 108 N -3.02 6.42 -4.68 2.94 4.32 -0.53 -4.94 117.00 117.52 1cnu n LEU 108 Ca 0.02 -4.89 -0.44 0.00 -0.02 0.00 0.00 56.01 50.68 1cnu n LEU 108 Cb 0.59 -1.40 -0.03 0.00 -1.62 0.00 0.00 43.42 40.95 1cnu n LEU 108 CO 0.37 1.47 1.48 0.52 -1.22 0.00 0.00 177.39 180.01 1cnu n VAL 109 N 2.54 0.44 0.00 4.08 0.31 -1.26 -3.43 118.33 121.00 1cnu n VAL 109 Ca 0.33 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1cnu n VAL 109 Cb 0.35 -2.07 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1cnu n VAL 109 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1cnu n GLY 110 N 4.24 1.09 3.73 2.92 0.00 -1.26 -5.09 105.19 110.82 1cnu n GLY 110 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1cnu n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cnu s ILE 111 N -2.00 2.13 -0.13 -0.61 1.01 -1.22 -4.78 121.20 115.61 1cnu s ILE 111 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.83 1cnu s ILE 111 Cb 0.00 -3.06 -0.13 0.00 0.01 0.00 0.00 42.46 39.27 1cnu s ILE 111 CO 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 174.94 174.94 1cnu n GLN 112 N 3.55 1.54 -4.38 2.79 6.02 -0.30 -5.02 117.38 121.58 1cnu n GLN 112 Ca 0.14 0.02 -0.19 0.00 -0.01 0.00 0.00 57.00 56.96 1cnu n GLN 112 Cb 0.36 -1.30 -0.14 0.00 1.02 0.00 0.00 30.24 30.18 1cnu n GLN 112 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1cnu s VAL 113 N -2.29 0.88 -0.11 5.09 1.01 -0.88 -4.98 120.40 119.12 1cnu s VAL 113 Ca -0.10 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1cnu s VAL 113 Cb 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1cnu s VAL 113 CO 0.44 0.11 -0.20 -1.61 0.00 0.00 0.00 175.10 173.85 1cnu s GLU 114 N -0.62 2.66 0.01 2.72 2.02 -1.26 0.28 118.70 124.50 1cnu s GLU 114 Ca 0.02 -0.73 0.06 0.00 0.02 0.00 0.00 54.97 54.33 1cnu s GLU 114 Cb -0.06 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 1cnu s GLU 114 CO 0.00 0.06 -0.17 0.08 0.02 0.00 0.00 175.26 175.25 1cnu s VAL 115 N 0.64 1.38 -0.11 2.63 1.01 0.19 -4.96 120.40 121.18 1cnu s VAL 115 Ca -0.13 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1cnu s VAL 115 Cb -0.16 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1cnu s VAL 115 CO 0.03 0.27 -0.23 -1.58 0.00 0.00 0.00 175.10 173.59 1cnu s GLN 116 N -0.72 3.02 -0.03 2.72 0.74 -1.26 -0.86 119.66 123.27 1cnu s GLN 116 Ca 0.06 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.62 1cnu s GLN 116 Cb -0.07 -2.32 0.01 0.00 1.10 0.00 0.00 33.01 31.73 1cnu s GLN 116 CO 0.00 0.13 -0.05 0.00 -0.55 0.00 0.00 175.29 174.81 1cnu s ALA 117 N 0.47 0.64 -0.99 1.58 0.00 -0.66 -4.96 121.76 117.84 1cnu s ALA 117 Ca -0.16 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 51.78 1cnu s ALA 117 Cb -0.17 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1cnu s ALA 117 CO 0.06 0.05 0.67 0.25 0.00 0.00 0.00 175.76 176.78 1cnu n THR 118 N 3.66 0.00 -3.00 0.00 -2.24 -1.26 -1.69 114.28 109.75 1cnu n THR 118 Ca -0.22 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1cnu n THR 118 Cb 0.53 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1cnu n THR 118 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1cnu n ASP 119 N -0.14 0.00 -0.12 3.42 5.68 -1.26 -2.90 116.55 121.23 1cnu n ASP 119 Ca 0.04 -0.97 -0.09 0.00 -0.50 0.00 0.00 54.79 53.27 1cnu n ASP 119 Cb 0.22 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.19 1cnu n ASP 119 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cnu h ALA 120 N 1.97 0.47 -0.60 2.12 0.00 -1.97 -2.00 119.26 119.25 1cnu h ALA 120 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1cnu h ALA 120 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1cnu h ALA 120 CO 0.00 -0.00 0.13 0.00 0.00 0.00 0.00 179.25 179.38 1cnu h ALA 121 N 1.05 0.80 -0.06 0.00 0.00 -1.98 -2.80 119.26 116.27 1cnu h ALA 121 Ca 0.13 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1cnu h ALA 121 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1cnu h ALA 121 CO -0.02 0.52 -0.35 0.93 0.00 0.00 0.00 179.25 180.32 1cnu h GLU 122 N 0.88 0.12 -0.59 0.00 5.08 -1.92 -2.53 114.58 115.62 1cnu h GLU 122 Ca 0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1cnu h GLU 122 Cb 0.37 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1cnu h GLU 122 CO 0.00 0.47 0.00 1.51 -1.00 0.00 0.00 179.01 179.99 1cnu n ILE 123 N -4.09 2.32 -1.66 3.13 0.13 -0.77 -4.55 119.36 113.88 1cnu n ILE 123 Ca -0.02 -1.34 -0.31 0.00 -1.10 0.00 0.00 62.75 59.98 1cnu n ILE 123 Cb 0.42 -0.09 0.04 0.00 -0.84 0.00 0.00 39.64 39.17 1cnu n ILE 123 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1cnu s SER 124 N -0.91 5.42 0.23 9.51 1.04 -0.95 -4.84 113.70 123.20 1cnu s SER 124 Ca 0.52 1.67 -0.07 0.00 0.48 0.00 0.00 55.95 58.55 1cnu s SER 124 Cb 0.37 -2.50 0.21 0.00 0.10 0.00 0.00 66.02 64.20 1cnu s SER 124 CO 0.20 -1.41 1.86 -0.08 0.98 0.00 0.00 173.24 174.79 1cnu h GLU 125 N -0.49 1.25 -0.33 4.02 4.81 -1.91 -1.16 114.58 120.76 1cnu h GLU 125 Ca -0.44 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 58.73 1cnu h GLU 125 Cb 1.21 -0.25 -0.08 0.00 0.63 0.00 0.00 28.75 30.26 1cnu h GLU 125 CO 0.57 0.90 -0.25 0.22 -0.73 0.00 0.00 179.01 179.71 1cnu h ASP 126 N 1.26 -0.84 0.04 1.04 3.58 -1.91 0.28 116.42 119.87 1cnu h ASP 126 Ca 0.32 0.16 -0.13 0.00 0.42 0.00 0.00 57.03 57.80 1cnu h ASP 126 Cb -0.00 0.41 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1cnu h ASP 126 CO -0.06 -0.28 -0.41 0.00 -2.88 0.00 0.00 179.24 175.61 1cnu h ALA 127 N 0.89 0.91 -0.10 -0.78 0.00 -1.68 -2.04 119.26 116.46 1cnu h ALA 127 Ca 0.17 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.40 1cnu h ALA 127 Cb 0.48 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1cnu h ALA 127 CO -0.46 0.64 -0.88 0.28 0.00 0.00 0.00 179.25 178.83 1cnu h VAL 128 N 0.39 1.27 -0.48 0.00 2.07 -0.00 -2.92 116.25 116.59 1cnu h VAL 128 Ca 0.03 -2.07 -0.07 0.00 0.82 0.00 0.00 66.70 65.41 1cnu h VAL 128 Cb 0.89 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1cnu h VAL 128 CO 0.08 0.65 -0.01 0.77 0.02 0.00 0.00 177.57 179.08 1cnu h SER 129 N 0.50 0.76 -0.49 0.57 4.64 -0.50 0.73 113.55 119.77 1cnu h SER 129 Ca -0.08 -0.19 0.08 0.00 -0.47 0.00 0.00 61.79 61.13 1cnu h SER 129 Cb 1.52 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 63.33 1cnu h SER 129 CO 0.18 0.84 0.08 -0.08 -0.87 0.00 0.00 176.83 176.98 1cnu h GLU 130 N 0.74 0.21 -0.31 4.77 4.81 -1.36 0.77 114.58 124.22 1cnu h GLU 130 Ca 0.14 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1cnu h GLU 130 Cb 0.46 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1cnu h GLU 130 CO 0.02 0.14 0.01 0.00 -0.73 0.00 0.00 179.01 178.45 1cnu h ARG 131 N 0.22 0.54 -0.60 1.92 2.47 -1.25 -3.01 114.38 114.66 1cnu h ARG 131 Ca 0.24 -0.17 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1cnu h ARG 131 Cb 0.33 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.57 1cnu h ARG 131 CO -0.33 0.67 0.27 0.00 0.56 0.00 0.00 179.97 181.14 1cnu h ALA 132 N 0.85 0.78 0.00 0.04 0.00 0.60 -2.17 119.26 119.36 1cnu h ALA 132 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1cnu h ALA 132 Cb 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1cnu h ALA 132 CO 0.01 0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.98 1cnu n LYS 133 N -4.50 0.35 0.00 0.00 2.85 0.25 -4.91 118.16 112.21 1cnu n LYS 133 Ca 0.04 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1cnu n LYS 133 Cb 0.14 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 1cnu n LYS 133 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1cnu n LYS 134 N -1.25 0.00 0.00 -1.58 5.02 -0.82 -5.08 118.16 114.45 1cnu n LYS 134 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1cnu n LYS 134 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 1cnu n LYS 134 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41