#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cej n ILE 2 N 0.00 -2.32 0.00 -1.44 2.08 -1.26 -5.09 119.36 111.34 1cej n ILE 2 Ca 0.00 1.17 0.00 0.00 0.56 0.00 0.00 62.75 64.48 1cej n ILE 2 Cb 0.00 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 36.95 1cej n ILE 2 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1cej n SER 3 N -2.43 0.00 -2.39 4.38 7.64 -1.26 -5.03 113.62 114.54 1cej n SER 3 Ca -0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1cej n SER 3 Cb 0.39 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 1cej n SER 3 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1cej n GLN 4 N 0.00 -4.32 -2.33 1.43 0.00 -1.26 -4.03 117.38 106.88 1cej n GLN 4 Ca 0.00 3.26 -0.16 0.00 -0.00 0.00 0.00 57.00 60.10 1cej n GLN 4 Cb 0.00 -4.54 -0.01 0.00 0.00 0.00 0.00 30.24 25.69 1cej n GLN 4 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1cej n HIS 5 N 1.57 -1.14 -4.01 3.69 8.25 -1.26 -4.59 115.22 117.72 1cej n HIS 5 Ca -0.26 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.88 1cej n HIS 5 Cb 0.41 -3.25 -0.06 0.00 1.12 0.00 0.00 29.99 28.21 1cej n HIS 5 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1cej s GLN 6 N -4.87 3.13 0.77 -0.41 0.74 -1.26 -3.67 119.66 114.09 1cej s GLN 6 Ca 0.00 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.84 1cej s GLN 6 Cb 0.00 -2.88 0.15 0.00 1.10 0.00 0.00 33.01 31.38 1cej s GLN 6 CO 0.00 0.61 1.06 0.00 -0.55 0.00 0.00 175.29 176.41 1cej n VAL 8 N -3.02 0.00 -0.24 0.00 0.24 -1.26 -4.89 118.33 109.16 1cej n VAL 8 Ca 0.16 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.54 1cej n VAL 8 Cb 0.60 0.00 0.30 0.00 -1.47 0.00 0.00 33.84 33.28 1cej n VAL 8 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1cej n LYS 9 N 0.00 3.24 -0.21 7.34 2.85 -1.26 -4.96 118.16 125.17 1cej n LYS 9 Ca 0.00 -2.40 -0.29 0.00 -1.05 0.00 0.00 58.31 54.57 1cej n LYS 9 Cb 0.00 -1.77 0.28 0.00 -0.65 0.00 0.00 35.03 32.89 1cej n LYS 9 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1cej n LYS 10 N 0.96 -4.81 -3.81 -1.58 0.00 -1.26 -5.05 118.16 102.61 1cej n LYS 10 Ca 0.22 -1.40 -0.13 0.00 0.00 0.00 0.00 58.31 57.00 1cej n LYS 10 Cb 0.75 -1.82 -0.14 0.00 0.00 0.00 0.00 35.03 33.82 1cej n LYS 10 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1cej s GLN 11 N -4.99 0.06 -0.02 1.64 -2.07 -1.26 -5.13 119.66 107.88 1cej s GLN 11 Ca 0.64 0.18 0.05 0.00 -1.82 0.00 0.00 55.36 54.40 1cej s GLN 11 Cb -0.11 -0.06 -0.01 0.00 -1.09 0.00 0.00 33.01 31.73 1cej s GLN 11 CO 0.54 -0.07 -0.16 0.00 -1.32 0.00 0.00 175.29 174.27 1cej n PRO 13 N 2.85 -0.53 -1.55 0.00 -0.04 -1.26 -5.01 135.00 129.45 1cej n PRO 13 Ca -0.16 -1.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.01 1cej n PRO 13 Cb 0.54 -0.62 0.15 0.00 -0.04 0.00 0.00 33.50 33.54 1cej n PRO 13 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1cej s GLN 14 N -4.31 0.79 -1.72 0.54 -0.21 -1.26 -3.36 119.66 110.13 1cej s GLN 14 Ca 0.35 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.86 1cej s GLN 14 Cb -0.01 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1cej s GLN 14 CO 0.25 -2.40 0.00 0.09 -2.12 0.00 0.00 175.29 171.10 1cej n ASN 15 N -3.88 -4.52 -3.66 5.90 3.02 -1.26 -4.87 115.26 105.99 1cej n ASN 15 Ca 0.09 0.36 -0.12 0.00 -0.03 0.00 0.00 54.58 54.87 1cej n ASN 15 Cb 0.59 -4.04 -0.08 0.00 -0.61 0.00 0.00 39.78 35.65 1cej n ASN 15 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1cej s SER 16 N -2.36 -0.69 0.35 6.41 1.04 -1.21 0.10 113.70 117.34 1cej s SER 16 Ca 0.00 1.27 0.08 0.00 0.48 0.00 0.00 55.95 57.78 1cej s SER 16 Cb 0.00 1.25 -0.04 0.00 0.10 0.00 0.00 66.02 67.33 1cej s SER 16 CO 0.00 -0.22 0.16 -0.83 0.98 0.00 0.00 173.24 173.33 1cej s GLY 17 N 0.65 1.96 0.45 7.32 0.00 -0.21 -4.57 107.32 112.92 1cej s GLY 17 Ca -0.03 -1.84 -0.03 0.00 0.00 0.00 0.00 44.72 42.83 1cej s GLY 17 CO -0.04 -1.76 0.71 0.00 0.00 0.00 0.00 173.10 172.02 1cej s PHE 19 N -2.62 -0.39 -0.33 0.00 5.36 -0.52 -4.82 117.98 114.66 1cej s PHE 19 Ca 0.46 0.96 -0.19 0.00 -0.96 0.00 0.00 56.93 57.20 1cej s PHE 19 Cb -0.10 0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 42.96 1cej s PHE 19 CO 0.41 -0.19 0.57 0.50 -1.46 0.00 0.00 175.22 175.05 1cej s ARG 20 N 0.18 3.77 0.35 10.12 3.52 -1.24 -2.45 118.95 133.20 1cej s ARG 20 Ca 0.04 0.07 -0.27 0.00 -0.13 0.00 0.00 55.73 55.44 1cej s ARG 20 Cb -0.05 -3.76 -0.12 0.00 -1.56 0.00 0.00 34.95 29.45 1cej s ARG 20 CO -0.08 -0.60 1.19 0.72 -0.81 0.00 0.00 175.30 175.72 1cej n HIS 21 N 5.82 1.92 0.67 5.12 8.25 0.30 -4.79 115.22 132.51 1cej n HIS 21 Ca -0.03 0.58 0.06 0.00 -0.26 0.00 0.00 57.72 58.07 1cej n HIS 21 Cb 0.49 -2.35 0.33 0.00 1.12 0.00 0.00 29.99 29.58 1cej n HIS 21 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1cej n LEU 22 N 0.77 0.00 -2.00 2.41 4.32 -1.26 -2.02 117.00 119.23 1cej n LEU 22 Ca 0.06 0.11 -0.22 0.00 -0.02 0.00 0.00 56.01 55.94 1cej n LEU 22 Cb 0.36 -0.11 0.15 0.00 -1.62 0.00 0.00 43.42 42.19 1cej n LEU 22 CO 0.61 -0.07 1.11 -0.90 -1.22 0.00 0.00 177.39 176.92 1cej n ASP 23 N -1.11 4.58 -3.29 -1.43 5.75 -1.26 -4.92 116.55 114.87 1cej n ASP 23 Ca 0.08 -3.71 -0.15 0.00 -0.01 0.00 0.00 54.79 51.00 1cej n ASP 23 Cb 0.06 -0.79 0.05 0.00 -1.03 0.00 0.00 41.12 39.41 1cej n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1cej n GLU 24 N -1.05 -1.92 -3.68 0.11 1.02 -0.85 -5.02 120.64 109.24 1cej n GLU 24 Ca 0.54 0.92 -0.10 0.00 -0.02 0.00 0.00 57.16 58.49 1cej n GLU 24 Cb 1.21 -5.51 -0.11 0.00 -0.02 0.00 0.00 31.44 27.01 1cej n GLU 24 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1cej s ARG 25 N -4.38 0.33 -0.28 3.49 3.52 -1.21 -4.98 118.95 115.44 1cej s ARG 25 Ca 0.37 0.87 -0.22 0.00 -0.13 0.00 0.00 55.73 56.62 1cej s ARG 25 Cb -0.06 0.11 -0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1cej s ARG 25 CO 0.76 -0.21 0.72 -1.21 -0.81 0.00 0.00 175.30 174.55 1cej s GLU 26 N 1.98 4.04 0.17 5.12 8.01 -1.26 0.11 118.70 136.88 1cej s GLU 26 Ca -0.05 0.60 -0.10 0.00 0.01 0.00 0.00 54.97 55.42 1cej s GLU 26 Cb -0.10 -3.69 -0.00 0.00 -4.31 0.00 0.00 34.13 26.03 1cej s GLU 26 CO -0.12 -0.54 0.33 -2.00 0.01 0.00 0.00 175.26 172.93 1cej s GLU 27 N 2.73 1.21 -0.11 1.61 2.56 -1.03 -4.95 118.70 120.71 1cej s GLU 27 Ca 0.30 -1.14 0.02 0.00 0.00 0.00 0.00 54.97 54.15 1cej s GLU 27 Cb -0.15 0.40 0.01 0.00 2.00 0.00 0.00 34.13 36.40 1cej s GLU 27 CO 0.10 -0.46 -0.16 0.00 -0.56 0.00 0.00 175.26 174.18 1cej n LYS 29 N 4.16 0.33 -2.13 0.00 2.85 -0.35 -4.90 118.16 118.12 1cej n LYS 29 Ca -0.19 -2.82 -0.28 0.00 -1.05 0.00 0.00 58.31 53.97 1cej n LYS 29 Cb 0.51 -0.40 0.05 0.00 -0.65 0.00 0.00 35.03 34.55 1cej n LYS 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1cej n LEU 31 N -2.88 0.00 -4.79 0.00 4.77 0.29 -4.23 117.00 110.16 1cej n LEU 31 Ca 0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 1cej n LEU 31 Cb 0.58 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1cej n LEU 31 CO 0.55 -0.51 0.73 -0.76 -1.33 0.00 0.00 177.39 176.06 1cej s LEU 32 N 0.00 3.68 -1.50 2.23 1.43 -1.26 -2.62 118.68 120.63 1cej s LEU 32 Ca 0.00 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 1cej s LEU 32 Cb 0.00 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 1cej s LEU 32 CO 0.00 -1.05 0.00 0.59 0.23 0.00 0.00 176.35 176.12 1cej n ASN 33 N -1.49 -5.15 -3.99 2.29 3.02 -1.26 -4.92 115.26 103.75 1cej n ASN 33 Ca 0.10 0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 54.70 1cej n ASN 33 Cb 0.52 -4.16 -0.16 0.00 -0.61 0.00 0.00 39.78 35.37 1cej n ASN 33 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1cej s TYR 34 N -2.18 2.24 0.44 3.10 2.02 -1.08 0.59 117.35 122.49 1cej s TYR 34 Ca 0.00 -1.38 0.03 0.00 -0.37 0.00 0.00 57.07 55.35 1cej s TYR 34 Cb 0.00 -1.59 0.08 0.00 -0.40 0.00 0.00 41.96 40.05 1cej s TYR 34 CO 0.00 -0.70 0.61 0.36 -1.57 0.00 0.00 175.55 174.25 1cej n LYS 35 N 4.74 0.45 -5.12 -0.62 2.85 -0.24 -4.39 118.16 115.83 1cej n LYS 35 Ca -0.15 -2.00 -0.29 0.00 -1.05 0.00 0.00 58.31 54.82 1cej n LYS 35 Cb 0.48 -0.30 -0.16 0.00 -0.65 0.00 0.00 35.03 34.40 1cej n LYS 35 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 1cej s GLN 36 N -4.00 1.95 -0.42 -1.58 0.74 -1.26 -1.64 119.66 113.45 1cej s GLN 36 Ca 0.43 -0.81 0.06 0.00 0.05 0.00 0.00 55.36 55.10 1cej s GLN 36 Cb -0.03 -1.82 0.17 0.00 1.10 0.00 0.00 33.01 32.43 1cej s GLN 36 CO 0.28 0.44 0.55 -2.00 -0.55 0.00 0.00 175.29 174.01 1cej s GLU 37 N -0.41 0.81 0.00 1.67 2.12 -1.14 -4.93 118.70 116.82 1cej s GLU 37 Ca 0.05 -0.69 0.00 0.00 0.36 0.00 0.00 54.97 54.69 1cej s GLU 37 Cb -0.10 -0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.02 1cej s GLU 37 CO 0.00 -1.23 0.00 0.41 -0.54 0.00 0.00 175.26 173.91 1cej n GLY 38 N 4.03 1.03 0.00 -1.50 0.00 -1.26 -4.22 105.19 103.27 1cej n GLY 38 Ca 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1cej n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cej n ASP 39 N 0.00 0.58 -3.99 1.61 9.92 -1.26 -5.06 116.55 118.35 1cej n ASP 39 Ca 0.00 -1.13 -0.13 0.00 -0.53 0.00 0.00 54.79 53.00 1cej n ASP 39 Cb 0.00 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.35 1cej n ASP 39 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1cej s LYS 40 N -0.13 0.39 0.12 -1.24 -2.85 -1.26 -5.14 119.74 109.64 1cej s LYS 40 Ca 0.00 -0.47 -0.23 0.00 -1.00 0.00 0.00 55.97 54.27 1cej s LYS 40 Cb 0.00 -0.22 -0.07 0.00 -2.06 0.00 0.00 37.83 35.48 1cej s LYS 40 CO 0.00 0.04 0.68 0.00 0.10 0.00 0.00 175.35 176.18 1cej n VAL 42 N 1.67 0.00 -2.38 0.00 0.24 -0.65 -4.88 118.33 112.31 1cej n VAL 42 Ca -0.08 -2.25 -0.39 0.00 -2.04 0.00 0.00 64.34 59.58 1cej n VAL 42 Cb 0.50 0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 1cej n VAL 42 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1cej s GLU 43 N -3.97 4.34 -0.11 7.34 2.02 -1.26 -1.08 118.70 125.98 1cej s GLU 43 Ca 0.13 1.82 0.03 0.00 0.02 0.00 0.00 54.97 56.98 1cej s GLU 43 Cb -0.01 -2.90 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1cej s GLU 43 CO 0.09 -0.06 -0.22 1.21 0.02 0.00 0.00 175.26 176.29 1cej s ASN 44 N -1.03 2.97 0.10 -0.19 2.47 0.20 -4.60 114.94 114.87 1cej s ASN 44 Ca 0.51 -0.54 0.23 0.00 0.42 0.00 0.00 52.86 53.48 1cej s ASN 44 Cb -0.31 -1.36 0.07 0.00 -1.45 0.00 0.00 41.25 38.20 1cej s ASN 44 CO 0.39 0.13 1.05 -0.81 -3.72 0.00 0.00 177.10 174.14 1cej n PRO 45 N 3.67 0.41 -3.43 0.43 -0.04 -1.26 -4.69 135.00 130.09 1cej n PRO 45 Ca -0.19 0.04 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 1cej n PRO 45 Cb 0.53 -1.67 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 1cej n PRO 45 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1cej s ASN 46 N -4.45 2.06 -0.20 3.54 3.04 -1.26 -4.46 114.94 113.22 1cej s ASN 46 Ca 0.02 -1.07 -0.22 0.00 0.04 0.00 0.00 52.86 51.63 1cej s ASN 46 Cb 0.13 0.28 -0.02 0.00 -1.54 0.00 0.00 41.25 40.10 1cej s ASN 46 CO 0.79 -0.38 0.68 -2.16 -3.04 0.00 0.00 177.10 172.99 1cej s PRO 47 N 2.09 4.22 0.49 0.43 0.05 -1.26 -5.07 135.00 135.95 1cej s PRO 47 Ca 0.11 0.71 -0.03 0.00 0.05 0.00 0.00 61.00 61.84 1cej s PRO 47 Cb -0.15 -3.58 -0.01 0.00 0.05 0.00 0.00 34.50 30.81 1cej s PRO 47 CO -0.27 -0.28 0.76 0.99 0.05 0.00 0.00 177.00 178.25 1cej s THR 48 N 2.02 4.17 -0.09 1.26 2.01 -1.26 -4.96 115.64 118.80 1cej s THR 48 Ca 0.31 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.13 1cej s THR 48 Cb -0.16 -3.58 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1cej s THR 48 CO 0.11 -0.50 -0.07 0.00 -0.69 0.00 0.00 174.62 173.47 1cej n ASN 50 N -2.70 0.00 -2.42 0.00 5.15 -1.26 -4.07 115.26 109.96 1cej n ASN 50 Ca -0.16 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 1cej n ASN 50 Cb 0.69 -0.40 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 1cej n ASN 50 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1cej n GLU 51 N -1.40 0.74 -1.49 1.20 0.28 -1.26 -4.85 120.64 113.85 1cej n GLU 51 Ca 0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.61 1cej n GLU 51 Cb 0.04 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.89 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1cej n ASN 52 N -1.23 6.26 -2.79 -1.84 0.23 -1.26 -4.56 115.26 110.08 1cej n ASN 52 Ca 0.00 -2.69 -0.05 0.00 -0.53 0.00 0.00 54.58 51.30 1cej n ASN 52 Cb 0.00 -1.59 0.01 0.00 -2.08 0.00 0.00 39.78 36.12 1cej n ASN 52 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1cej n ASN 53 N 4.86 -7.94 -0.22 0.53 2.85 -1.26 -4.80 115.26 109.27 1cej n ASN 53 Ca 0.65 0.85 0.14 0.00 -0.11 0.00 0.00 54.58 56.10 1cej n ASN 53 Cb 0.31 -5.35 0.44 0.00 1.24 0.00 0.00 39.78 36.41 1cej n ASN 53 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1cej h GLY 54 N 2.35 0.97 0.00 8.20 0.00 -1.61 -3.38 103.07 109.60 1cej h GLY 54 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1cej h GLY 54 CO 0.16 0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.39 1cej n GLY 55 N -1.47 0.51 3.33 4.60 0.00 -1.26 -4.67 105.19 106.22 1cej n GLY 55 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1cej n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cej n ASP 57 N 4.46 0.09 0.12 0.00 9.92 -0.24 -4.41 116.55 126.50 1cej n ASP 57 Ca -0.18 0.34 0.20 0.00 -0.53 0.00 0.00 54.79 54.61 1cej n ASP 57 Cb 0.51 -0.27 0.76 0.00 -0.64 0.00 0.00 41.12 41.49 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cej h ALA 58 N 1.04 2.03 -0.02 2.24 0.00 -1.90 0.85 119.26 123.50 1cej h ALA 58 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1cej h ALA 58 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1cej h ALA 58 CO 0.22 -0.59 -0.34 -3.47 0.00 0.00 0.00 179.25 175.07 1cej n ASP 59 N -3.67 2.11 -4.94 0.00 2.03 -1.26 -4.95 116.55 105.86 1cej n ASP 59 Ca 0.06 -1.55 -0.24 0.00 0.52 0.00 0.00 54.79 53.58 1cej n ASP 59 Cb 0.57 0.33 0.04 0.00 -0.72 0.00 0.00 41.12 41.33 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cej s ALA 60 N -2.37 3.50 -0.25 -1.67 0.00 0.29 -4.45 121.76 116.81 1cej s ALA 60 Ca 0.22 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1cej s ALA 60 Cb 0.19 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1cej s ALA 60 CO 0.50 -0.82 0.66 0.15 0.00 0.00 0.00 175.76 176.26 1cej s LYS 61 N -4.91 4.13 0.18 0.00 -0.14 -0.48 -4.82 119.74 113.69 1cej s LYS 61 Ca 0.55 0.62 -0.10 0.00 -1.36 0.00 0.00 55.97 55.68 1cej s LYS 61 Cb -0.10 -3.65 -0.07 0.00 -1.68 0.00 0.00 37.83 32.33 1cej s LYS 61 CO 0.42 -0.42 0.50 0.00 -0.76 0.00 0.00 175.35 175.08 1cej s THR 63 N -1.66 0.00 0.00 0.00 -4.23 -1.03 -5.01 115.64 103.71 1cej s THR 63 Ca 0.42 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1cej s THR 63 Cb -0.12 -0.17 0.00 0.00 1.34 0.00 0.00 72.50 73.55 1cej s THR 63 CO 0.21 -0.01 0.21 -1.84 -0.54 0.00 0.00 174.62 172.65 1cej n GLU 64 N 2.98 -0.21 -2.10 3.99 -0.00 -1.26 -1.91 120.64 122.13 1cej n GLU 64 Ca -0.13 -0.22 -0.41 0.00 -0.00 0.00 0.00 57.16 56.40 1cej n GLU 64 Cb 0.59 -0.66 -0.00 0.00 -0.00 0.00 0.00 31.44 31.37 1cej n GLU 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1cej n GLU 65 N -0.01 4.26 -1.01 3.44 1.02 -1.26 -4.82 120.64 122.25 1cej n GLU 65 Ca 0.00 -3.46 0.00 0.00 -0.02 0.00 0.00 57.16 53.68 1cej n GLU 65 Cb 0.19 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 28.88 1cej n GLU 65 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1cej n ASP 66 N 2.46 0.00 -3.65 1.62 2.03 -1.26 -5.18 116.55 112.57 1cej n ASP 66 Ca 0.55 -0.68 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1cej n ASP 66 Cb 0.28 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.62 1cej n ASP 66 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1cej s SER 67 N -0.20 -0.07 0.00 1.67 1.04 -1.26 -4.81 113.70 110.08 1cej s SER 67 Ca 0.00 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1cej s SER 67 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1cej s SER 67 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1cej n GLY 68 N 2.56 0.00 0.00 7.32 0.00 -1.26 -5.12 105.19 108.69 1cej n GLY 68 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1cej n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cej n SER 69 N 0.00 0.00 0.00 1.61 7.64 -1.26 -5.07 113.62 116.54 1cej n SER 69 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1cej n SER 69 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1cej n SER 69 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1cej n ASN 70 N 0.00 0.00 0.00 6.43 5.15 -1.26 -5.10 115.26 120.48 1cej n ASN 70 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1cej n ASN 70 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cej n GLY 71 N 0.04 -1.79 3.63 8.20 0.00 -1.26 -5.09 105.19 108.92 1cej n GLY 71 Ca 0.00 0.74 -0.42 0.00 0.00 0.00 0.00 46.02 46.34 1cej n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cej s LYS 72 N 0.41 3.74 -0.52 1.61 -2.85 -1.26 -4.92 119.74 115.95 1cej s LYS 72 Ca 0.00 2.21 -0.23 0.00 -1.00 0.00 0.00 55.97 56.95 1cej s LYS 72 Cb 0.00 -4.20 0.04 0.00 -2.06 0.00 0.00 37.83 31.62 1cej s LYS 72 CO 0.00 -1.40 0.84 -1.59 0.10 0.00 0.00 175.35 173.30 1cej s LYS 73 N 5.10 3.29 -0.23 1.78 0.00 -1.26 -4.96 119.74 123.47 1cej s LYS 73 Ca 0.88 -0.40 -0.03 0.00 0.00 0.00 0.00 55.97 56.42 1cej s LYS 73 Cb -0.35 -4.05 0.10 0.00 0.00 0.00 0.00 37.83 33.53 1cej s LYS 73 CO 0.36 -1.36 0.24 0.42 0.00 0.00 0.00 175.35 175.01 1cej s ILE 74 N 3.51 -0.34 0.40 3.79 -1.09 -1.26 -4.42 121.20 121.79 1cej s ILE 74 Ca 0.26 -0.21 0.08 0.00 -2.23 0.00 0.00 60.65 58.55 1cej s ILE 74 Cb -0.14 -0.76 -0.05 0.00 -1.58 0.00 0.00 42.46 39.93 1cej s ILE 74 CO 0.18 -0.27 0.16 0.28 -1.23 0.00 0.00 174.94 174.06 1cej s THR 75 N 2.33 2.42 0.16 2.92 -1.32 -0.81 -5.00 115.64 116.34 1cej s THR 75 Ca 0.08 -1.72 0.07 0.00 -1.21 0.00 0.00 61.69 58.91 1cej s THR 75 Cb -0.15 -2.98 -0.04 0.00 -1.51 0.00 0.00 72.50 67.82 1cej s THR 75 CO -0.17 -0.04 -0.15 0.00 -2.21 0.00 0.00 174.62 172.05 1cej s GLU 77 N -3.12 0.77 0.24 0.00 2.02 -0.54 -4.92 118.70 113.16 1cej s GLU 77 Ca 0.15 -0.14 -0.31 0.00 0.02 0.00 0.00 54.97 54.69 1cej s GLU 77 Cb -0.03 0.09 -0.14 0.00 0.10 0.00 0.00 34.13 34.16 1cej s GLU 77 CO 0.05 -1.17 1.37 0.00 0.02 0.00 0.00 175.26 175.53 1cej n THR 79 N 1.72 0.56 -0.57 0.00 5.66 -1.26 -4.81 114.28 115.58 1cej n THR 79 Ca 0.11 -0.52 -0.30 0.00 -3.05 0.00 0.00 64.05 60.29 1cej n THR 79 Cb 0.31 -0.29 0.21 0.00 -1.55 0.00 0.00 70.33 69.01 1cej n THR 79 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1cej n LYS 80 N -2.61 -2.14 -0.08 1.09 5.02 -1.26 -4.98 118.16 113.20 1cej n LYS 80 Ca 0.00 -0.61 -0.12 0.00 -2.02 0.00 0.00 58.31 55.56 1cej n LYS 80 Cb 0.54 -1.85 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1cej n LYS 80 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1cej h PRO 81 N -2.40 0.00 -0.97 1.97 0.14 -2.04 -3.35 132.00 125.36 1cej h PRO 81 Ca -0.56 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 65.57 1cej h PRO 81 Cb 1.34 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.47 1cej h PRO 81 CO 0.41 0.51 0.01 -0.25 0.14 0.00 0.00 178.00 178.82 1cej n ASP 82 N -4.55 1.67 -4.72 1.44 9.92 -1.26 -4.83 116.55 114.22 1cej n ASP 82 Ca -0.18 -2.09 -0.41 0.00 -0.53 0.00 0.00 54.79 51.58 1cej n ASP 82 Cb 0.44 -0.52 -0.04 0.00 -0.64 0.00 0.00 41.12 40.36 1cej n ASP 82 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1cej s SER 83 N 0.05 7.25 -0.32 -2.24 0.01 -1.26 -4.48 113.70 112.72 1cej s SER 83 Ca 0.05 1.51 0.00 0.00 1.31 0.00 0.00 55.95 58.82 1cej s SER 83 Cb 0.04 -2.51 0.14 0.00 0.21 0.00 0.00 66.02 63.90 1cej s SER 83 CO 0.01 -0.15 0.29 -0.31 0.41 0.00 0.00 173.24 173.49 1cej s TYR 84 N 0.65 -0.18 -0.33 2.43 1.51 -1.23 -4.93 117.35 115.27 1cej s TYR 84 Ca 0.45 -0.63 -0.19 0.00 -1.01 0.00 0.00 57.07 55.69 1cej s TYR 84 Cb -0.20 -0.55 -0.10 0.00 -0.11 0.00 0.00 41.96 41.00 1cej s TYR 84 CO 0.25 -0.91 1.14 -2.30 -1.11 0.00 0.00 175.55 172.61 1cej n PRO 85 N 4.84 0.00 0.21 -1.71 -0.02 -1.26 -3.61 135.00 133.45 1cej n PRO 85 Ca 0.03 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.42 1cej n PRO 85 Cb 0.44 -0.74 -0.04 0.00 -0.02 0.00 0.00 33.50 33.15 1cej n PRO 85 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1cej h LEU 86 N 4.92 -0.48 0.00 2.45 -0.00 -1.66 -3.43 115.31 117.11 1cej h LEU 86 Ca -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1cej h LEU 86 Cb 0.68 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 1cej h LEU 86 CO 0.58 -0.25 0.00 0.49 -0.00 0.00 0.00 178.44 179.27 1cej n PHE 87 N -4.05 0.00 -1.43 1.13 3.01 -1.26 -4.85 117.46 110.01 1cej n PHE 87 Ca -0.07 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.32 1cej n PHE 87 Cb 0.22 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 39.89 1cej n PHE 87 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1cej n ASP 88 N 0.00 2.64 0.00 4.37 9.92 -1.26 -4.82 116.55 127.40 1cej n ASP 88 Ca 0.00 -3.77 0.00 0.00 -0.53 0.00 0.00 54.79 50.49 1cej n ASP 88 Cb 0.00 -0.67 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1cej n GLY 89 N -1.13 1.49 0.12 0.44 0.00 -1.26 -4.67 105.19 100.19 1cej n GLY 89 Ca 0.37 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 1cej n GLY 89 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1cej n ILE 90 N -1.22 1.54 -3.52 -0.61 -5.35 -1.24 -2.97 119.36 105.99 1cej n ILE 90 Ca 0.00 -0.67 -0.20 0.00 -0.27 0.00 0.00 62.75 61.61 1cej n ILE 90 Cb 0.00 -1.24 -0.14 0.00 -1.74 0.00 0.00 39.64 36.52 1cej n ILE 90 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1cej s PHE 91 N -2.53 -0.17 0.54 4.28 5.36 -1.26 -1.08 117.98 123.13 1cej s PHE 91 Ca -0.24 0.11 -0.10 0.00 -0.96 0.00 0.00 56.93 55.74 1cej s PHE 91 Cb 0.08 -0.43 -0.05 0.00 -0.34 0.00 0.00 43.02 42.28 1cej s PHE 91 CO 0.71 -0.57 0.92 0.00 -1.46 0.00 0.00 175.22 174.82 1cej n SER 93 N -2.31 -1.59 -4.75 0.00 2.88 -1.24 -4.85 113.62 101.76 1cej n SER 93 Ca 0.04 -1.76 -0.25 0.00 -1.33 0.00 0.00 58.87 55.57 1cej n SER 93 Cb 0.54 2.57 -0.06 0.00 -0.75 0.00 0.00 64.21 66.51 1cej n SER 93 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1cej s SER 94 N -3.45 5.22 0.00 -3.46 1.04 -1.26 -3.49 113.70 108.30 1cej s SER 94 Ca 0.24 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1cej s SER 94 Cb -0.02 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.84 1cej s SER 94 CO 0.04 0.04 0.00 -0.24 0.98 0.00 0.00 173.24 174.06 1cej n SER 95 N -0.58 0.00 -0.48 7.02 2.88 -1.26 -4.87 113.62 116.32 1cej n SER 95 Ca -0.08 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.60 1cej n SER 95 Cb 0.56 0.05 0.52 0.00 -0.75 0.00 0.00 64.21 64.59 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61