#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 -0.95 0.91 -1.44 2.08 -1.26 -4.81 119.36 113.89 1cej n ILE 2 Ca 0.00 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.42 1cej n ILE 2 Cb 0.00 -2.44 0.30 0.00 -0.75 0.00 0.00 39.64 36.75 1cej n ILE 2 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1cej n SER 3 N -2.01 2.44 -4.27 4.38 3.41 -1.26 -4.50 113.62 111.81 1cej n SER 3 Ca -0.17 -1.83 -0.32 0.00 -0.26 0.00 0.00 58.87 56.29 1cej n SER 3 Cb 0.64 -0.13 -0.16 0.00 -0.26 0.00 0.00 64.21 64.29 1cej n SER 3 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1cej s GLN 4 N -1.73 3.17 -1.32 4.33 -1.52 -1.26 -4.66 119.66 116.67 1cej s GLN 4 Ca 0.35 -0.81 -0.04 0.00 -1.95 0.00 0.00 55.36 52.91 1cej s GLN 4 Cb 0.20 -2.44 0.02 0.00 -0.22 0.00 0.00 33.01 30.56 1cej s GLN 4 CO 0.29 0.17 0.93 0.72 -0.25 0.00 0.00 175.29 177.15 1cej n HIS 5 N 3.60 -2.24 0.10 0.91 8.25 -1.26 -4.69 115.22 119.89 1cej n HIS 5 Ca -0.19 0.91 -0.03 0.00 -0.26 0.00 0.00 57.72 58.16 1cej n HIS 5 Cb 0.53 -4.67 -0.02 0.00 1.12 0.00 0.00 29.99 26.95 1cej n HIS 5 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1cej h GLN 6 N -2.07 0.00 -4.32 -0.41 4.15 -1.83 -3.41 115.11 107.22 1cej h GLN 6 Ca -0.59 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.83 1cej h GLN 6 Cb 1.36 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.01 1cej h GLN 6 CO 0.56 0.79 -0.95 0.00 -1.93 0.00 0.00 178.83 177.30 1cej n VAL 8 N 1.46 0.00 -2.97 0.00 0.24 -1.26 -4.91 118.33 110.89 1cej n VAL 8 Ca -0.11 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.34 61.62 1cej n VAL 8 Cb 0.16 -0.89 0.01 0.00 -1.47 0.00 0.00 33.84 31.65 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 -3.45 4.53 0.00 7.34 2.85 -1.26 -5.00 118.16 123.17 1cej n LYS 9 Ca 0.07 -4.59 0.00 0.00 -1.05 0.00 0.00 58.31 52.75 1cej n LYS 9 Cb 0.30 -2.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.19 1cej n LYS 9 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1cej n LYS 10 N 1.06 1.81 -3.96 -1.58 0.00 -1.26 -5.08 118.16 109.15 1cej n LYS 10 Ca 0.29 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.32 1cej n LYS 10 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.31 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 1.09 3.33 -0.28 -1.58 -2.07 -1.26 -5.05 119.66 113.85 1cej s GLN 11 Ca 0.00 -0.57 -0.24 0.00 -1.82 0.00 0.00 55.36 52.73 1cej s GLN 11 Cb 0.00 -2.94 0.10 0.00 -1.09 0.00 0.00 33.01 29.08 1cej s GLN 11 CO 0.00 0.56 0.91 0.00 -1.32 0.00 0.00 175.29 175.43 1cej n PRO 13 N 2.55 -0.38 -1.39 0.00 -0.04 -1.26 -5.05 135.00 129.43 1cej n PRO 13 Ca -0.14 -2.01 -0.30 0.00 -0.04 0.00 0.00 63.50 61.02 1cej n PRO 13 Cb 0.56 -0.75 0.21 0.00 -0.04 0.00 0.00 33.50 33.47 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 -4.89 -0.25 -1.87 0.54 -1.52 -1.26 -3.43 119.66 106.99 1cej s GLN 14 Ca 0.57 -0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.90 1cej s GLN 14 Cb -0.03 -1.71 0.00 0.00 -0.22 0.00 0.00 33.01 31.05 1cej s GLN 14 CO 0.38 -3.07 0.00 0.09 -0.25 0.00 0.00 175.29 172.45 1cej n ASN 15 N -4.30 -4.80 -3.69 5.90 4.13 -1.26 -4.91 115.26 106.34 1cej n ASN 15 Ca 0.12 0.40 -0.14 0.00 1.68 0.00 0.00 54.58 56.65 1cej n ASN 15 Cb 0.59 -4.27 -0.09 0.00 -1.54 0.00 0.00 39.78 34.48 1cej n ASN 15 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1cej s SER 16 N -2.47 -0.55 0.00 6.41 1.04 -1.22 -0.73 113.70 116.18 1cej s SER 16 Ca 0.00 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1cej s SER 16 Cb 0.00 1.05 0.00 0.00 0.10 0.00 0.00 66.02 67.17 1cej s SER 16 CO 0.00 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1cej n GLY 17 N 2.69 1.51 3.61 7.32 0.00 0.08 -4.73 105.19 115.67 1cej n GLY 17 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 1cej n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cej n PHE 19 N 1.55 -1.85 -3.80 0.00 7.35 -1.08 -4.81 117.46 114.83 1cej n PHE 19 Ca -0.12 -1.58 -0.30 0.00 -0.76 0.00 0.00 57.45 54.69 1cej n PHE 19 Cb 0.57 0.65 -0.15 0.00 0.35 0.00 0.00 39.48 40.89 1cej n PHE 19 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1cej s ARG 20 N -2.23 0.93 1.00 -4.13 3.52 -1.26 -1.22 118.95 115.56 1cej s ARG 20 Ca 0.15 -1.06 -0.16 0.00 -0.13 0.00 0.00 55.73 54.54 1cej s ARG 20 Cb -0.03 -2.24 0.00 0.00 -1.56 0.00 0.00 34.95 31.13 1cej s ARG 20 CO 0.11 -0.87 -0.02 0.72 -0.81 0.00 0.00 175.30 174.43 1cej n HIS 21 N 4.78 -2.13 0.15 5.12 8.25 -1.14 -4.44 115.22 125.81 1cej n HIS 21 Ca -0.04 0.19 0.02 0.00 -0.26 0.00 0.00 57.72 57.63 1cej n HIS 21 Cb 0.43 -1.65 0.08 0.00 1.12 0.00 0.00 29.99 29.98 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 -0.23 0.00 -0.07 2.41 7.99 -1.26 0.47 117.00 126.31 1cej n LEU 22 Ca 0.03 0.40 0.01 0.00 -0.01 0.00 0.00 56.01 56.45 1cej n LEU 22 Cb 0.57 -0.40 0.05 0.00 -0.11 0.00 0.00 43.42 43.52 1cej n LEU 22 CO 0.51 -0.35 0.53 -0.90 -1.51 0.00 0.00 177.39 175.67 1cej n ASP 23 N -1.40 0.21 -0.68 -1.43 5.68 -1.26 -4.83 116.55 112.83 1cej n ASP 23 Ca 0.01 -1.97 -0.06 0.00 -0.50 0.00 0.00 54.79 52.28 1cej n ASP 23 Cb 0.04 -0.03 -0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1cej n ASP 23 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1cej n GLU 24 N -0.40 -0.57 0.00 0.11 1.02 0.18 -5.01 120.64 115.97 1cej n GLU 24 Ca 0.02 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1cej n GLU 24 Cb 0.04 -4.03 0.00 0.00 -0.02 0.00 0.00 31.44 27.43 1cej n GLU 24 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1cej n ARG 25 N -1.54 0.00 0.00 3.49 0.63 -1.07 -4.87 116.66 113.30 1cej n ARG 25 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1cej n ARG 25 Cb 0.55 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.46 1cej n ARG 25 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1cej n GLU 26 N 0.00 0.02 0.00 -0.14 4.07 -1.13 -2.88 120.64 120.58 1cej n GLU 26 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1cej n GLU 26 Cb 0.00 -0.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.87 1cej n GLU 26 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1cej n GLU 27 N -1.16 0.00 -1.48 5.31 2.13 -0.36 -4.64 120.64 120.45 1cej n GLU 27 Ca 0.00 0.00 -0.47 0.00 0.66 0.00 0.00 57.16 57.35 1cej n GLU 27 Cb 0.01 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.65 1cej n GLU 27 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1cej n LYS 29 N 8.41 0.36 -2.58 0.00 0.00 -0.55 -4.90 118.16 118.90 1cej n LYS 29 Ca 0.41 -2.88 -0.22 0.00 0.00 0.00 0.00 58.31 55.61 1cej n LYS 29 Cb 0.28 -0.38 0.06 0.00 0.00 0.00 0.00 35.03 35.00 1cej n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cej n LEU 31 N -2.57 0.00 -4.77 0.00 4.77 0.09 -3.56 117.00 110.96 1cej n LEU 31 Ca 0.10 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.72 1cej n LEU 31 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1cej n LEU 31 CO 0.45 -0.39 0.81 -0.76 -1.33 0.00 0.00 177.39 176.17 1cej s LEU 32 N 0.00 3.84 -1.29 2.23 1.43 -1.26 -2.08 118.68 121.55 1cej s LEU 32 Ca 0.00 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1cej s LEU 32 Cb 0.00 -4.45 0.00 0.00 0.03 0.00 0.00 46.19 41.77 1cej s LEU 32 CO 0.00 -1.16 0.00 0.59 0.23 0.00 0.00 176.35 176.01 1cej n ASN 33 N -1.03 -5.38 -3.99 2.29 3.02 -1.26 -4.92 115.26 103.99 1cej n ASN 33 Ca 0.10 0.30 -0.31 0.00 -0.03 0.00 0.00 54.58 54.65 1cej n ASN 33 Cb 0.50 -4.12 -0.16 0.00 -0.61 0.00 0.00 39.78 35.39 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 -2.01 2.45 0.06 3.10 2.02 -0.88 0.10 117.35 122.20 1cej s TYR 34 Ca 0.00 -1.64 0.01 0.00 -0.37 0.00 0.00 57.07 55.07 1cej s TYR 34 Cb 0.00 -1.65 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 1cej s TYR 34 CO 0.00 -0.75 0.08 0.36 -1.57 0.00 0.00 175.55 173.67 1cej n LYS 35 N 4.67 0.86 -4.11 -0.62 2.85 -0.29 -4.19 118.16 117.33 1cej n LYS 35 Ca -0.14 -0.30 -0.26 0.00 -1.05 0.00 0.00 58.31 56.56 1cej n LYS 35 Cb 0.46 -0.03 -0.06 0.00 -0.65 0.00 0.00 35.03 34.75 1cej n LYS 35 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1cej s GLN 36 N -2.35 2.80 -0.43 -1.58 -1.52 -1.26 -1.45 119.66 113.86 1cej s GLN 36 Ca 0.06 -0.94 0.03 0.00 -1.95 0.00 0.00 55.36 52.56 1cej s GLN 36 Cb -0.00 -2.58 0.24 0.00 -0.22 0.00 0.00 33.01 30.45 1cej s GLN 36 CO 0.04 0.47 0.99 -1.91 -0.25 0.00 0.00 175.29 174.63 1cej n GLU 37 N -0.40 0.51 0.00 2.91 2.13 -1.16 -4.73 120.64 119.91 1cej n GLU 37 Ca -0.08 -1.39 0.00 0.00 0.66 0.00 0.00 57.16 56.35 1cej n GLU 37 Cb 0.55 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 31.27 1cej n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1cej n GLY 38 N 1.81 0.97 0.00 8.31 0.00 -1.26 -4.01 105.19 111.02 1cej n GLY 38 Ca 0.08 -0.81 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 0.51 1.09 -3.89 1.61 9.92 -1.26 -5.02 116.55 119.51 1cej n ASP 39 Ca 0.00 -1.37 -0.16 0.00 -0.53 0.00 0.00 54.79 52.74 1cej n ASP 39 Cb 0.00 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 1cej n ASP 39 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1cej s LYS 40 N -0.37 0.33 0.32 -1.24 3.01 -1.26 -5.11 119.74 115.43 1cej s LYS 40 Ca 0.00 -0.06 -0.28 0.00 -1.01 0.00 0.00 55.97 54.62 1cej s LYS 40 Cb 0.00 -0.38 -0.09 0.00 -1.01 0.00 0.00 37.83 36.34 1cej s LYS 40 CO 0.00 -0.00 1.11 0.00 0.51 0.00 0.00 175.35 176.97 1cej s VAL 42 N -1.27 1.53 -0.08 0.00 -7.23 -0.53 -4.88 120.40 107.95 1cej s VAL 42 Ca 0.48 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.70 1cej s VAL 42 Cb -0.31 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 1cej s VAL 42 CO 0.40 0.00 1.17 -1.61 -0.31 0.00 0.00 175.10 174.74 1cej s GLU 43 N -4.14 4.35 -0.37 4.82 2.02 -1.26 -1.13 118.70 122.98 1cej s GLU 43 Ca 0.26 1.62 -0.25 0.00 0.02 0.00 0.00 54.97 56.61 1cej s GLU 43 Cb -0.01 -3.57 0.01 0.00 0.10 0.00 0.00 34.13 30.66 1cej s GLU 43 CO 0.16 -0.45 0.89 1.21 0.02 0.00 0.00 175.26 177.09 1cej s ASN 44 N 1.44 6.64 0.12 -0.19 3.84 0.28 -4.75 114.94 122.33 1cej s ASN 44 Ca 0.54 0.50 0.24 0.00 0.21 0.00 0.00 52.86 54.35 1cej s ASN 44 Cb -0.23 -2.45 0.25 0.00 -0.55 0.00 0.00 41.25 38.27 1cej s ASN 44 CO 0.20 -0.83 1.24 1.55 -2.79 0.00 0.00 177.10 176.46 1cej h PRO 45 N 8.50 0.00 -1.91 0.43 0.14 -1.94 -3.41 132.00 133.82 1cej h PRO 45 Ca -0.24 0.00 -0.50 0.00 0.14 0.00 0.00 66.00 65.41 1cej h PRO 45 Cb 1.08 0.00 -0.34 0.00 0.14 0.00 0.00 31.00 31.88 1cej h PRO 45 CO 0.97 0.00 -0.92 0.09 0.14 0.00 0.00 178.00 178.28 1cej n ASN 46 N -2.17 -0.86 -4.74 1.44 3.02 -1.26 -4.84 115.26 105.84 1cej n ASN 46 Ca 0.03 -2.60 -0.38 0.00 -0.03 0.00 0.00 54.58 51.59 1cej n ASN 46 Cb 0.46 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1cej n ASN 46 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1cej s PRO 47 N -0.15 4.30 0.00 3.52 0.05 -1.26 -5.05 135.00 136.41 1cej s PRO 47 Ca 0.33 0.54 0.00 0.00 0.05 0.00 0.00 61.00 61.92 1cej s PRO 47 Cb 0.09 -3.40 0.00 0.00 0.05 0.00 0.00 34.50 31.24 1cej s PRO 47 CO -0.16 0.24 0.00 -2.37 0.05 0.00 0.00 177.00 174.76 1cej n THR 48 N 3.32 0.00 0.00 1.26 5.66 -1.26 -4.74 114.28 118.52 1cej n THR 48 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1cej n THR 48 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1cej n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1cej n ASN 50 N -1.17 0.00 -3.01 0.00 2.85 -1.26 -3.11 115.26 109.56 1cej n ASN 50 Ca 0.00 -0.58 -0.37 0.00 -0.11 0.00 0.00 54.58 53.51 1cej n ASN 50 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 1cej n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1cej n GLU 51 N -0.93 3.32 -3.70 1.20 -0.58 -1.26 -4.85 120.64 113.84 1cej n GLU 51 Ca 0.10 -3.49 -0.25 0.00 -0.42 0.00 0.00 57.16 53.10 1cej n GLU 51 Cb 0.05 -2.31 0.01 0.00 -0.57 0.00 0.00 31.44 28.62 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1cej n ASN 52 N 0.01 -5.14 -2.36 1.62 0.23 -1.20 -3.94 115.26 104.47 1cej n ASN 52 Ca 0.52 -0.78 -0.01 0.00 -0.53 0.00 0.00 54.58 53.78 1cej n ASN 52 Cb 0.30 -1.91 -0.01 0.00 -2.08 0.00 0.00 39.78 36.08 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 -2.20 -4.99 -2.19 0.53 2.85 -1.18 -4.86 115.26 103.21 1cej n ASN 53 Ca -0.27 1.04 -0.28 0.00 -0.11 0.00 0.00 54.58 54.96 1cej n ASN 53 Cb 0.68 -4.16 0.10 0.00 1.24 0.00 0.00 39.78 37.65 1cej n ASN 53 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cej n GLY 54 N 0.70 5.08 0.00 8.20 0.00 -1.16 -4.55 105.19 113.45 1cej n GLY 54 Ca -0.08 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1cej n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cej n GLY 55 N -0.78 1.26 3.47 -0.02 0.00 -1.26 -4.05 105.19 103.80 1cej n GLY 55 Ca 0.56 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.24 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 3.17 -0.20 -0.13 0.00 2.03 0.13 -4.36 116.55 117.20 1cej n ASP 57 Ca -0.18 1.05 0.27 0.00 0.52 0.00 0.00 54.79 56.45 1cej n ASP 57 Cb 0.53 -1.14 0.72 0.00 -0.72 0.00 0.00 41.12 40.50 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cej h ALA 58 N 1.26 2.75 -0.01 -1.67 0.00 -1.90 0.83 119.26 120.52 1cej h ALA 58 Ca -0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1cej h ALA 58 Cb 1.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1cej h ALA 58 CO 0.56 -1.00 -0.60 -0.25 0.00 0.00 0.00 179.25 177.97 1cej n ASP 59 N -4.27 1.32 -4.92 0.00 8.00 -1.26 -4.93 116.55 110.50 1cej n ASP 59 Ca 0.16 -1.07 -0.27 0.00 0.71 0.00 0.00 54.79 54.32 1cej n ASP 59 Cb 0.88 0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 42.50 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cej s ALA 60 N -2.71 3.60 0.68 2.24 0.00 0.29 -4.66 121.76 121.19 1cej s ALA 60 Ca 0.15 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 1cej s ALA 60 Cb 0.18 -2.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 1cej s ALA 60 CO 0.67 0.05 1.06 0.21 0.00 0.00 0.00 175.76 177.75 1cej s LYS 61 N -4.02 3.08 0.02 0.00 2.20 -0.98 -4.56 119.74 115.48 1cej s LYS 61 Ca 0.43 0.73 0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1cej s LYS 61 Cb -0.10 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.18 1cej s LYS 61 CO 0.35 -0.94 -0.07 0.00 -0.36 0.00 0.00 175.35 174.32 1cej s THR 63 N -0.74 0.03 -0.03 0.00 -4.23 -0.46 -4.97 115.64 105.24 1cej s THR 63 Ca -0.03 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 1cej s THR 63 Cb -0.06 -0.30 0.06 0.00 1.34 0.00 0.00 72.50 73.54 1cej s THR 63 CO 0.00 -0.14 0.89 -1.84 -0.54 0.00 0.00 174.62 172.99 1cej n GLU 64 N 2.45 0.80 -0.58 3.99 -0.00 -1.26 -1.44 120.64 124.59 1cej n GLU 64 Ca -0.16 -1.27 -0.30 0.00 -0.00 0.00 0.00 57.16 55.44 1cej n GLU 64 Cb 0.58 -0.79 0.20 0.00 -0.00 0.00 0.00 31.44 31.42 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 -0.38 -2.16 -1.66 3.44 1.02 -1.26 -4.53 120.64 115.10 1cej n GLU 65 Ca 0.03 -0.62 -0.46 0.00 -0.02 0.00 0.00 57.16 56.09 1cej n GLU 65 Cb 0.55 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 30.17 1cej n GLU 65 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1cej n ASP 66 N -2.52 2.88 0.00 1.62 8.00 -1.26 -4.79 116.55 120.48 1cej n ASP 66 Ca 0.02 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.62 1cej n ASP 66 Cb 0.57 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 1cej n ASP 66 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1cej n SER 67 N 3.04 0.00 0.00 -2.24 2.88 -1.26 -4.97 113.62 111.07 1cej n SER 67 Ca 0.16 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 1cej n SER 67 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1cej n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1cej n GLY 68 N 0.00 -0.15 0.00 0.46 0.00 -1.26 -5.14 105.19 99.10 1cej n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.53 -3.12 1.61 7.64 -1.26 -5.09 113.62 115.93 1cej n SER 69 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1cej n SER 69 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.04 0.00 6.43 2.85 -1.26 -4.85 115.26 118.39 1cej n ASN 70 Ca 0.00 -2.94 0.00 0.00 -0.11 0.00 0.00 54.58 51.53 1cej n ASN 70 Cb 0.00 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 40.79 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cej n GLY 71 N 0.93 3.16 1.91 8.20 0.00 -1.26 -5.10 105.19 113.03 1cej n GLY 71 Ca 0.20 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.32 1cej n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cej n LYS 72 N 0.00 -3.30 -1.58 1.61 5.02 -1.26 -4.80 118.16 113.85 1cej n LYS 72 Ca 0.00 -0.81 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 1cej n LYS 72 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1cej n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1cej n LYS 73 N -3.82 -4.12 -3.67 1.97 0.00 -1.26 -4.85 118.16 102.41 1cej n LYS 73 Ca 0.08 3.02 -0.27 0.00 0.00 0.00 0.00 58.31 61.13 1cej n LYS 73 Cb 0.34 -3.18 -0.17 0.00 0.00 0.00 0.00 35.03 32.02 1cej n LYS 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1cej s ILE 74 N -0.87 0.22 0.52 3.15 -1.09 -1.26 -4.64 121.20 117.23 1cej s ILE 74 Ca 0.00 -0.41 -0.08 0.00 -2.23 0.00 0.00 60.65 57.93 1cej s ILE 74 Cb 0.00 -0.84 -0.04 0.00 -1.58 0.00 0.00 42.46 40.00 1cej s ILE 74 CO 0.00 -0.28 0.87 -0.89 -1.23 0.00 0.00 174.94 173.41 1cej s THR 75 N 1.99 4.82 -0.01 2.92 2.01 -0.52 -4.88 115.64 121.98 1cej s THR 75 Ca 0.01 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.51 1cej s THR 75 Cb -0.17 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 1cej s THR 75 CO -0.10 -0.92 -0.04 0.00 -0.69 0.00 0.00 174.62 172.86 1cej s GLU 77 N -0.01 1.91 -0.80 0.00 2.12 -0.92 -4.91 118.70 116.09 1cej s GLU 77 Ca 0.01 -2.61 -0.25 0.00 0.36 0.00 0.00 54.97 52.48 1cej s GLU 77 Cb -0.03 -3.16 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 1cej s GLU 77 CO -0.00 -1.14 1.75 0.00 -0.54 0.00 0.00 175.26 175.33 1cej n THR 79 N 7.29 2.80 -4.09 0.00 5.66 -1.26 -4.90 114.28 119.78 1cej n THR 79 Ca 0.27 -3.23 -0.33 0.00 -3.05 0.00 0.00 64.05 57.71 1cej n THR 79 Cb 0.50 -0.75 -0.07 0.00 -1.55 0.00 0.00 70.33 68.45 1cej n THR 79 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1cej s LYS 80 N -3.49 3.11 0.09 1.09 2.20 -1.26 -5.01 119.74 116.48 1cej s LYS 80 Ca 0.51 -0.44 -0.36 0.00 -0.36 0.00 0.00 55.97 55.32 1cej s LYS 80 Cb 0.43 -2.89 -0.17 0.00 -1.51 0.00 0.00 37.83 33.69 1cej s LYS 80 CO 0.01 0.66 1.22 -2.30 -0.36 0.00 0.00 175.35 174.59 1cej n PRO 81 N 1.30 0.88 0.00 4.03 -0.01 -1.26 0.12 135.00 140.06 1cej n PRO 81 Ca -0.14 0.32 0.00 0.00 -0.01 0.00 0.00 63.50 63.67 1cej n PRO 81 Cb 0.53 -1.88 0.00 0.00 -0.01 0.00 0.00 33.50 32.14 1cej n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 175.50 172.02 1cej n ASP 82 N 2.19 0.00 -4.57 2.55 2.03 -1.26 -4.91 116.55 112.58 1cej n ASP 82 Ca 0.18 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.08 1cej n ASP 82 Cb 0.18 -0.30 -0.04 0.00 -0.72 0.00 0.00 41.12 40.25 1cej n ASP 82 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1cej n SER 83 N 0.00 2.75 -3.74 1.67 3.41 0.32 -3.99 113.62 114.03 1cej n SER 83 Ca 0.00 -0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.27 1cej n SER 83 Cb 0.00 -1.53 -0.13 0.00 -0.26 0.00 0.00 64.21 62.29 1cej n SER 83 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1cej s TYR 84 N 9.69 2.09 -0.32 7.33 1.51 -1.26 -4.69 117.35 131.70 1cej s TYR 84 Ca 1.02 -2.39 -0.28 0.00 -1.01 0.00 0.00 57.07 54.41 1cej s TYR 84 Cb -0.34 -1.97 -0.12 0.00 -0.11 0.00 0.00 41.96 39.42 1cej s TYR 84 CO 0.33 -0.80 1.30 -2.30 -1.11 0.00 0.00 175.55 172.97 1cej n PRO 85 N 3.77 0.00 0.12 -1.71 -0.01 -1.24 -4.11 135.00 131.83 1cej n PRO 85 Ca 0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 63.50 63.35 1cej n PRO 85 Cb 0.36 -0.96 -0.15 0.00 -0.01 0.00 0.00 33.50 32.74 1cej n PRO 85 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1cej h LEU 86 N 5.29 0.65 0.00 2.45 3.38 -0.15 -3.45 115.31 123.48 1cej h LEU 86 Ca -0.10 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1cej h LEU 86 Cb 0.90 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1cej h LEU 86 CO 0.68 1.56 0.00 0.49 0.09 0.00 0.00 178.44 181.26 1cej n PHE 87 N -3.62 0.00 -1.36 1.13 3.01 -1.26 -4.97 117.46 110.38 1cej n PHE 87 Ca -0.14 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.40 1cej n PHE 87 Cb 1.07 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.68 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 1.88 0.00 4.37 9.92 -1.26 -4.92 116.55 126.54 1cej n ASP 88 Ca 0.00 -3.12 0.00 0.00 -0.53 0.00 0.00 54.79 51.14 1cej n ASP 88 Cb 0.00 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 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 -1.12 1.91 0.24 0.44 0.00 -1.26 -4.77 105.19 100.62 1cej n GLY 89 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1cej n GLY 89 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1cej h ILE 90 N 0.00 0.98 -3.25 -0.61 3.07 -1.89 0.36 117.51 116.18 1cej h ILE 90 Ca 0.00 -0.54 -0.55 0.00 1.55 0.00 0.00 64.86 65.32 1cej h ILE 90 Cb 0.00 1.30 -0.40 0.00 -0.27 0.00 0.00 36.82 37.45 1cej h ILE 90 CO 0.00 0.15 -0.76 -0.36 -1.05 0.00 0.00 178.15 176.12 1cej s PHE 91 N -4.58 1.43 -0.48 0.16 0.08 -1.26 -2.71 117.98 110.62 1cej s PHE 91 Ca -0.04 -1.32 0.03 0.00 0.12 0.00 0.00 56.93 55.72 1cej s PHE 91 Cb 0.15 -1.36 0.13 0.00 -0.57 0.00 0.00 43.02 41.37 1cej s PHE 91 CO 0.67 -0.75 0.25 0.00 -0.10 0.00 0.00 175.22 175.29 1cej n SER 93 N 3.32 0.00 -4.93 0.00 7.64 -1.26 -4.00 113.62 114.39 1cej n SER 93 Ca 0.08 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 1cej n SER 93 Cb 0.34 0.33 -0.04 0.00 -1.01 0.00 0.00 64.21 63.83 1cej n SER 93 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1cej s SER 94 N -2.69 6.36 0.31 6.43 0.15 -1.26 -4.08 113.70 118.92 1cej s SER 94 Ca 0.00 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.89 1cej s SER 94 Cb 0.00 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1cej s SER 94 CO 0.00 0.10 0.00 -0.24 1.20 0.00 0.00 173.24 174.30 1cej n SER 95 N -0.13 0.00 0.00 5.45 2.88 -1.26 -4.06 113.62 116.50 1cej n SER 95 Ca -0.06 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 1cej n SER 95 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61