#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cej s ILE 2 N 0.00 4.37 0.00 -1.44 -1.09 -1.26 -4.46 121.20 117.32 1cej s ILE 2 Ca 0.00 -0.25 0.00 0.00 -2.23 0.00 0.00 60.65 58.17 1cej s ILE 2 Cb 0.00 -4.63 0.00 0.00 -1.58 0.00 0.00 42.46 36.25 1cej s ILE 2 CO 0.00 -1.35 0.00 -0.24 -1.23 0.00 0.00 174.94 172.12 1cej n SER 3 N 7.55 0.00 0.00 3.58 2.88 -1.26 -4.91 113.62 121.47 1cej n SER 3 Ca -0.03 -0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 1cej n SER 3 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1cej n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cej n GLN 4 N 0.00 0.00 -0.17 -1.46 1.13 -1.26 -2.27 117.38 113.35 1cej n GLN 4 Ca 0.00 0.59 0.13 0.00 -1.94 0.00 0.00 57.00 55.78 1cej n GLN 4 Cb 0.06 -1.50 0.46 0.00 0.11 0.00 0.00 30.24 29.37 1cej n GLN 4 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 1cej h HIS 5 N 0.00 0.58 -2.73 1.08 2.07 -1.92 -3.36 115.15 110.88 1cej h HIS 5 Ca 0.00 0.02 -0.45 0.00 -2.85 0.00 0.00 60.37 57.09 1cej h HIS 5 Cb 0.00 -0.19 0.23 0.00 2.57 0.00 0.00 27.41 30.02 1cej h HIS 5 CO 0.01 0.25 -0.61 0.94 -3.07 0.00 0.00 177.93 175.44 1cej n GLN 6 N -4.49 -1.97 -3.93 5.12 7.27 -0.96 -1.65 117.38 116.77 1cej n GLN 6 Ca 0.13 -0.55 -0.27 0.00 0.07 0.00 0.00 57.00 56.39 1cej n GLN 6 Cb 0.44 -1.91 -0.01 0.00 2.41 0.00 0.00 30.24 31.17 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cej n VAL 8 N -1.73 0.35 -1.79 0.00 0.31 -1.26 -4.79 118.33 109.42 1cej n VAL 8 Ca -0.03 0.33 -0.14 0.00 -0.01 0.00 0.00 64.34 64.50 1cej n VAL 8 Cb 0.64 -1.57 0.10 0.00 -0.91 0.00 0.00 33.84 32.11 1cej n VAL 8 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1cej n LYS 9 N -2.92 2.77 -3.57 5.55 0.00 -1.26 -5.03 118.16 113.70 1cej n LYS 9 Ca -0.03 -3.75 -0.23 0.00 -0.00 0.00 0.00 58.31 54.31 1cej n LYS 9 Cb 0.09 -2.04 0.00 0.00 -0.00 0.00 0.00 35.03 33.09 1cej n LYS 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1cej s LYS 10 N -3.47 2.36 -0.30 -1.58 2.20 -1.26 -5.12 119.74 112.57 1cej s LYS 10 Ca 0.48 -1.77 0.01 0.00 -0.36 0.00 0.00 55.97 54.32 1cej s LYS 10 Cb 0.41 -2.32 0.14 0.00 -1.51 0.00 0.00 37.83 34.54 1cej s LYS 10 CO 0.00 -0.55 0.33 1.14 -0.36 0.00 0.00 175.35 175.91 1cej s GLN 11 N -4.33 0.37 -0.10 4.03 -2.07 -1.26 -4.99 119.66 111.31 1cej s GLN 11 Ca 0.45 -0.14 -0.12 0.00 -1.82 0.00 0.00 55.36 53.73 1cej s GLN 11 Cb -0.03 -0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 31.26 1cej s GLN 11 CO 0.28 -1.05 0.29 0.00 -1.32 0.00 0.00 175.29 173.49 1cej n PRO 13 N 2.62 0.18 -1.44 0.00 -0.04 -1.26 -5.00 135.00 130.06 1cej n PRO 13 Ca -0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 1cej n PRO 13 Cb 0.53 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 34.17 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 -2.68 0.16 -1.63 0.54 -0.21 -1.26 -3.40 119.66 111.18 1cej s GLN 14 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.41 1cej s GLN 14 Cb 0.00 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.26 1cej s GLN 14 CO 0.00 -2.81 0.00 0.09 -2.12 0.00 0.00 175.29 170.45 1cej n ASN 15 N -4.14 -4.34 -3.64 5.90 5.03 -1.26 -4.88 115.26 107.93 1cej n ASN 15 Ca 0.11 0.33 -0.07 0.00 0.87 0.00 0.00 54.58 55.82 1cej n ASN 15 Cb 0.59 -3.88 -0.07 0.00 -1.02 0.00 0.00 39.78 35.40 1cej n ASN 15 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1cej s SER 16 N -2.29 -0.93 0.26 6.41 1.04 -1.22 0.10 113.70 117.08 1cej s SER 16 Ca 0.00 1.49 0.06 0.00 0.48 0.00 0.00 55.95 57.98 1cej s SER 16 Cb 0.00 1.38 -0.03 0.00 0.10 0.00 0.00 66.02 67.48 1cej s SER 16 CO 0.00 -0.24 0.33 -0.83 0.98 0.00 0.00 173.24 173.49 1cej s GLY 17 N 1.60 1.35 -0.03 7.32 0.00 -0.09 -4.53 107.32 112.94 1cej s GLY 17 Ca -0.10 -1.34 -0.10 0.00 0.00 0.00 0.00 44.72 43.19 1cej s GLY 17 CO -0.19 -1.34 0.28 0.00 0.00 0.00 0.00 173.10 171.85 1cej s PHE 19 N -1.13 0.43 -0.16 0.00 5.36 -0.51 -4.53 117.98 117.45 1cej s PHE 19 Ca 0.22 -0.36 -0.29 0.00 -0.96 0.00 0.00 56.93 55.55 1cej s PHE 19 Cb -0.14 -0.76 -0.05 0.00 -0.34 0.00 0.00 43.02 41.73 1cej s PHE 19 CO 0.11 -0.47 1.92 0.50 -1.46 0.00 0.00 175.22 175.82 1cej s ARG 20 N 2.06 3.64 0.32 10.12 3.52 -0.66 -2.36 118.95 135.59 1cej s ARG 20 Ca 0.02 2.02 -0.28 0.00 -0.13 0.00 0.00 55.73 57.36 1cej s ARG 20 Cb -0.15 -4.19 -0.13 0.00 -1.56 0.00 0.00 34.95 28.92 1cej s ARG 20 CO -0.07 -1.51 1.25 0.72 -0.81 0.00 0.00 175.30 174.87 1cej n HIS 21 N 9.40 2.06 0.15 5.12 8.25 0.29 -4.79 115.22 135.70 1cej n HIS 21 Ca 0.23 0.57 0.02 0.00 -0.26 0.00 0.00 57.72 58.28 1cej n HIS 21 Cb 0.44 -2.39 0.09 0.00 1.12 0.00 0.00 29.99 29.25 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 1.01 0.00 -2.18 2.41 4.32 -1.26 -1.77 117.00 119.54 1cej n LEU 22 Ca 0.06 0.48 -0.28 0.00 -0.02 0.00 0.00 56.01 56.25 1cej n LEU 22 Cb 0.35 -0.48 0.08 0.00 -1.62 0.00 0.00 43.42 41.75 1cej n LEU 22 CO 0.62 -0.41 1.35 -0.90 -1.22 0.00 0.00 177.39 176.83 1cej n ASP 23 N -1.48 6.79 -2.66 -1.43 5.75 -1.26 -4.82 116.55 117.45 1cej n ASP 23 Ca 0.01 -3.54 -0.20 0.00 -0.01 0.00 0.00 54.79 51.05 1cej n ASP 23 Cb 0.05 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 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 -0.59 -2.81 -4.66 0.11 -0.58 -0.73 -4.96 120.64 106.42 1cej n GLU 24 Ca 0.53 0.85 -0.32 0.00 -0.42 0.00 0.00 57.16 57.80 1cej n GLU 24 Cb 0.76 -5.56 -0.07 0.00 -0.57 0.00 0.00 31.44 26.00 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1cej s ARG 25 N -5.30 2.20 -0.05 3.49 1.81 -1.07 -4.94 118.95 115.09 1cej s ARG 25 Ca 0.12 -2.36 0.01 0.00 -1.72 0.00 0.00 55.73 51.78 1cej s ARG 25 Cb -0.05 -1.60 0.02 0.00 -0.45 0.00 0.00 34.95 32.87 1cej s ARG 25 CO 0.14 -0.39 -0.04 -1.21 -0.68 0.00 0.00 175.30 173.12 1cej s GLU 26 N -3.93 0.79 0.18 3.54 8.01 -1.26 0.11 118.70 126.13 1cej s GLU 26 Ca 0.09 -0.08 0.03 0.00 0.01 0.00 0.00 54.97 55.03 1cej s GLU 26 Cb 0.01 -0.84 -0.05 0.00 -4.31 0.00 0.00 34.13 28.94 1cej s GLU 26 CO 0.05 -0.11 -0.04 -1.83 0.01 0.00 0.00 175.26 173.34 1cej s GLU 27 N 1.04 1.15 -0.23 1.61 -1.05 -0.99 -4.85 118.70 115.38 1cej s GLU 27 Ca -0.09 -1.54 -0.02 0.00 -0.15 0.00 0.00 54.97 53.17 1cej s GLU 27 Cb -0.14 -0.51 0.07 0.00 -0.44 0.00 0.00 34.13 33.10 1cej s GLU 27 CO -0.01 -0.04 0.03 0.00 0.95 0.00 0.00 175.26 176.19 1cej s LYS 29 N 1.71 3.22 0.49 0.00 2.20 -0.88 -4.94 119.74 121.53 1cej s LYS 29 Ca -0.00 -0.90 -0.19 0.00 -0.36 0.00 0.00 55.97 54.52 1cej s LYS 29 Cb -0.18 -2.77 -0.09 0.00 -1.51 0.00 0.00 37.83 33.29 1cej s LYS 29 CO -0.11 0.37 0.99 0.00 -0.36 0.00 0.00 175.35 176.23 1cej n LEU 31 N -1.18 0.00 -4.80 0.00 4.77 0.29 -4.65 117.00 111.42 1cej n LEU 31 Ca 0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.75 1cej n LEU 31 Cb 0.54 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.71 1cej n LEU 31 CO 0.42 -0.90 0.71 -0.76 -1.33 0.00 0.00 177.39 175.53 1cej s LEU 32 N 0.00 2.64 -1.37 2.23 1.43 -1.26 -3.13 118.68 119.21 1cej s LEU 32 Ca 0.00 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1cej s LEU 32 Cb 0.00 -3.97 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1cej s LEU 32 CO 0.00 -1.94 0.00 0.59 0.23 0.00 0.00 176.35 175.23 1cej n ASN 33 N -3.41 -4.73 -4.47 2.29 5.03 -1.26 -4.92 115.26 103.79 1cej n ASN 33 Ca 0.07 0.32 -0.27 0.00 0.87 0.00 0.00 54.58 55.57 1cej n ASN 33 Cb 0.56 -3.86 -0.09 0.00 -1.02 0.00 0.00 39.78 35.37 1cej n ASN 33 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1cej s TYR 34 N -2.05 1.99 0.17 3.10 2.02 -1.18 -0.15 117.35 121.24 1cej s TYR 34 Ca 0.00 -1.00 -0.06 0.00 -0.37 0.00 0.00 57.07 55.64 1cej s TYR 34 Cb 0.00 -1.42 0.02 0.00 -0.40 0.00 0.00 41.96 40.16 1cej s TYR 34 CO 0.00 0.06 0.33 0.36 -1.57 0.00 0.00 175.55 174.73 1cej n LYS 35 N -0.96 0.48 -4.72 -0.62 2.85 -0.36 -4.55 118.16 110.28 1cej n LYS 35 Ca -0.08 -0.97 -0.33 0.00 -1.05 0.00 0.00 58.31 55.88 1cej n LYS 35 Cb 0.66 1.19 -0.13 0.00 -0.65 0.00 0.00 35.03 36.10 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 -2.05 3.09 -0.47 -1.58 -0.21 -1.26 -1.92 119.66 115.25 1cej s GLN 36 Ca 0.07 -0.64 0.06 0.00 0.02 0.00 0.00 55.36 54.88 1cej s GLN 36 Cb -0.02 -2.60 0.23 0.00 1.00 0.00 0.00 33.01 31.61 1cej s GLN 36 CO 0.05 0.41 0.75 -1.91 -2.12 0.00 0.00 175.29 172.47 1cej n GLU 37 N 2.97 0.67 0.00 2.91 2.13 -1.04 -4.86 120.64 123.41 1cej n GLU 37 Ca -0.18 -2.18 0.00 0.00 0.66 0.00 0.00 57.16 55.47 1cej n GLU 37 Cb 0.53 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 30.80 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 1.98 0.67 1.51 8.31 0.00 -1.26 -4.32 105.19 112.08 1cej n GLY 38 Ca 0.15 -1.47 0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 4.72 -3.71 1.61 8.00 -1.26 -4.94 116.55 120.97 1cej n ASP 39 Ca 0.00 -2.52 -0.13 0.00 0.71 0.00 0.00 54.79 52.85 1cej n ASP 39 Cb 0.00 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 40.46 1cej n ASP 39 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1cej s LYS 40 N -1.98 0.82 0.31 -1.24 -2.85 -1.26 -5.13 119.74 108.41 1cej s LYS 40 Ca 0.49 -0.32 -0.18 0.00 -1.00 0.00 0.00 55.97 54.96 1cej s LYS 40 Cb 0.33 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 36.37 1cej s LYS 40 CO 0.22 -0.26 0.77 0.00 0.10 0.00 0.00 175.35 176.18 1cej s VAL 42 N -1.87 1.64 0.52 0.00 -7.23 -0.81 -4.86 120.40 107.79 1cej s VAL 42 Ca 0.52 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.47 1cej s VAL 42 Cb -0.12 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 1cej s VAL 42 CO 0.18 0.00 1.27 -0.70 -0.31 0.00 0.00 175.10 175.54 1cej s GLU 43 N -3.78 3.33 -0.58 4.82 -6.30 -1.26 -1.22 118.70 113.71 1cej s GLU 43 Ca 0.25 2.01 0.06 0.00 -2.50 0.00 0.00 54.97 54.80 1cej s GLU 43 Cb 0.07 -2.26 0.27 0.00 0.00 0.00 0.00 34.13 32.21 1cej s GLU 43 CO 0.13 -0.97 0.75 -1.71 0.02 0.00 0.00 175.26 173.48 1cej n ASN 44 N -0.92 3.20 -0.38 -1.70 2.85 0.79 -4.67 115.26 114.42 1cej n ASN 44 Ca 0.10 -3.35 0.31 0.00 -0.11 0.00 0.00 54.58 51.53 1cej n ASN 44 Cb 0.47 -0.64 0.51 0.00 1.24 0.00 0.00 39.78 41.35 1cej n ASN 44 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1cej n PRO 45 N 0.70 -0.02 -3.59 1.20 -0.01 -1.26 -2.17 135.00 129.85 1cej n PRO 45 Ca 0.29 0.84 -0.29 0.00 -0.01 0.00 0.00 63.50 64.33 1cej n PRO 45 Cb 0.44 -1.73 -0.12 0.00 -0.01 0.00 0.00 33.50 32.07 1cej n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 175.50 174.69 1cej s ASN 46 N -4.22 3.04 0.56 2.55 0.01 -1.26 -5.03 114.94 110.59 1cej s ASN 46 Ca -0.05 -2.79 -0.03 0.00 -0.71 0.00 0.00 52.86 49.28 1cej s ASN 46 Cb 0.21 -0.80 0.01 0.00 0.41 0.00 0.00 41.25 41.08 1cej s ASN 46 CO 0.59 -0.23 0.83 -2.16 -1.51 0.00 0.00 177.10 174.62 1cej s PRO 47 N 0.22 2.83 0.00 -0.60 0.05 -0.92 -5.11 135.00 131.46 1cej s PRO 47 Ca 0.23 -0.29 0.00 0.00 0.05 0.00 0.00 61.00 60.99 1cej s PRO 47 Cb -0.14 -2.38 0.00 0.00 0.05 0.00 0.00 34.50 32.03 1cej s PRO 47 CO -0.07 -0.63 0.00 -2.37 0.05 0.00 0.00 177.00 173.98 1cej n THR 48 N -2.44 0.00 -0.01 1.26 5.66 -1.26 -4.94 114.28 112.55 1cej n THR 48 Ca 0.04 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.12 1cej n THR 48 Cb 0.58 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.23 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 -2.12 0.33 -2.54 0.00 5.15 -1.26 -1.78 115.26 113.04 1cej n ASN 50 Ca -0.04 0.63 -0.17 0.00 -0.60 0.00 0.00 54.58 54.40 1cej n ASN 50 Cb 0.47 -0.68 -0.09 0.00 -0.53 0.00 0.00 39.78 38.95 1cej n ASN 50 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1cej n GLU 51 N -1.92 2.00 -4.03 1.20 1.02 -1.26 -4.61 120.64 113.04 1cej n GLU 51 Ca 0.00 -1.14 -0.43 0.00 -0.02 0.00 0.00 57.16 55.56 1cej n GLU 51 Cb 0.07 -2.15 0.02 0.00 -0.02 0.00 0.00 31.44 29.35 1cej n GLU 51 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1cej n ASN 52 N 3.12 -3.91 -2.64 1.62 0.23 -1.19 -1.50 115.26 110.99 1cej n ASN 52 Ca 0.43 -1.25 -0.11 0.00 -0.53 0.00 0.00 54.58 53.12 1cej n ASN 52 Cb 0.50 -1.96 0.05 0.00 -2.08 0.00 0.00 39.78 36.29 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 -2.30 -3.74 -0.02 0.53 5.15 -0.73 -4.95 115.26 109.20 1cej n ASN 53 Ca -0.13 -0.45 -0.16 0.00 -0.60 0.00 0.00 54.58 53.25 1cej n ASN 53 Cb 0.58 -3.61 -0.11 0.00 -0.53 0.00 0.00 39.78 36.11 1cej n ASN 53 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1cej h GLY 54 N -0.96 0.32 1.90 8.20 0.00 -1.35 -3.20 103.07 107.98 1cej h GLY 54 Ca -0.40 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1cej h GLY 54 CO 0.31 0.48 -0.08 -1.33 0.00 0.00 0.00 176.54 175.91 1cej h GLY 55 N -0.30 0.00 -2.52 4.60 0.00 -1.83 -3.46 103.07 99.56 1cej h GLY 55 Ca -0.05 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.74 1cej h GLY 55 CO 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 176.54 176.03 1cej n ASP 57 N -1.02 0.00 0.00 0.00 5.75 -0.78 -4.74 116.55 115.76 1cej n ASP 57 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.73 1cej n ASP 57 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cej n ALA 58 N -3.00 0.00 0.00 2.12 0.00 -1.26 -4.88 120.51 113.49 1cej n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cej n ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1cej n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1cej n ASP 59 N 0.00 0.82 -4.70 0.00 8.00 -1.26 -5.08 116.55 114.33 1cej n ASP 59 Ca 0.00 -0.10 -0.29 0.00 0.71 0.00 0.00 54.79 55.11 1cej n ASP 59 Cb 0.00 0.36 0.16 0.00 -0.02 0.00 0.00 41.12 41.62 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 -0.53 1.27 -0.16 2.24 0.00 -1.26 -4.91 121.76 118.42 1cej s ALA 60 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.53 1cej s ALA 60 Cb 0.00 -3.16 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 1cej s ALA 60 CO 0.00 -2.58 0.69 0.15 0.00 0.00 0.00 175.76 174.02 1cej s LYS 61 N -4.95 4.29 0.30 0.00 1.02 -0.71 -4.83 119.74 114.86 1cej s LYS 61 Ca 0.64 0.77 0.01 0.00 0.02 0.00 0.00 55.97 57.41 1cej s LYS 61 Cb -0.18 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1cej s LYS 61 CO 0.57 -0.17 0.49 0.00 -0.92 0.00 0.00 175.35 175.32 1cej s THR 63 N -2.18 0.01 -0.01 0.00 -4.23 -0.53 -4.94 115.64 103.77 1cej s THR 63 Ca 0.39 -0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.80 1cej s THR 63 Cb -0.10 -1.01 0.02 0.00 1.34 0.00 0.00 72.50 72.75 1cej s THR 63 CO 0.33 -0.06 0.94 -1.84 -0.54 0.00 0.00 174.62 173.46 1cej n GLU 64 N 0.09 0.10 -1.54 3.99 0.28 -1.26 -1.42 120.64 120.88 1cej n GLU 64 Ca -0.18 -1.03 -0.36 0.00 -0.16 0.00 0.00 57.16 55.44 1cej n GLU 64 Cb 0.62 -0.56 -0.07 0.00 1.43 0.00 0.00 31.44 32.86 1cej n GLU 64 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1cej n GLU 65 N -0.08 0.71 -0.12 3.44 1.02 -1.26 -4.44 120.64 119.90 1cej n GLU 65 Ca 0.01 -0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 57.07 1cej n GLU 65 Cb 0.67 -2.89 0.01 0.00 -0.02 0.00 0.00 31.44 29.21 1cej n GLU 65 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1cej n ASP 66 N 14.44 -0.03 0.00 1.62 5.75 -1.26 -4.69 116.55 132.39 1cej n ASP 66 Ca 0.46 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.23 1cej n ASP 66 Cb 0.39 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1cej n ASP 66 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1cej n SER 67 N -3.06 0.31 0.00 -1.12 2.88 -1.26 -4.92 113.62 106.45 1cej n SER 67 Ca 0.01 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 1cej n SER 67 Cb 0.04 0.83 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 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 0.92 0.23 7.00 0.46 0.00 -1.26 -5.11 105.19 107.43 1cej n GLY 68 Ca 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.86 1cej n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cej n SER 69 N 0.00 -1.40 -2.65 1.61 2.88 -1.26 -3.77 113.62 109.03 1cej n SER 69 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1cej n SER 69 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1cej n SER 69 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1cej n ASN 70 N -2.11 5.62 -3.17 -3.46 4.13 -1.26 -4.88 115.26 110.13 1cej n ASN 70 Ca 0.00 -3.76 0.03 0.00 1.68 0.00 0.00 54.58 52.53 1cej n ASN 70 Cb 0.00 -0.66 -0.00 0.00 -1.54 0.00 0.00 39.78 37.57 1cej n ASN 70 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1cej s GLY 71 N -2.74 -1.25 1.00 7.41 0.00 -1.25 -5.15 107.32 105.35 1cej s GLY 71 Ca 0.49 0.79 -0.13 0.00 0.00 0.00 0.00 44.72 45.87 1cej s GLY 71 CO -0.26 3.67 0.57 0.28 0.00 0.00 0.00 173.10 177.36 1cej n LYS 72 N 5.12 -0.84 -4.26 2.90 4.01 -1.26 -4.71 118.16 119.12 1cej n LYS 72 Ca 0.07 -0.20 -0.22 0.00 -0.51 0.00 0.00 58.31 57.44 1cej n LYS 72 Cb 0.55 -1.98 -0.12 0.00 -0.51 0.00 0.00 35.03 32.96 1cej n LYS 72 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1cej s LYS 73 N -3.92 1.07 0.14 1.97 2.36 -1.26 -4.97 119.74 115.13 1cej s LYS 73 Ca 0.60 -1.14 0.09 0.00 -2.55 0.00 0.00 55.97 52.97 1cej s LYS 73 Cb -0.20 -1.25 -0.04 0.00 -1.05 0.00 0.00 37.83 35.29 1cej s LYS 73 CO 0.65 0.28 -0.20 0.42 1.55 0.00 0.00 175.35 178.05 1cej s ILE 74 N -1.29 1.87 0.07 5.43 -1.09 -1.26 -4.23 121.20 120.70 1cej s ILE 74 Ca 0.05 -1.79 -0.10 0.00 -2.23 0.00 0.00 60.65 56.59 1cej s ILE 74 Cb -0.09 -1.79 0.00 0.00 -1.58 0.00 0.00 42.46 39.00 1cej s ILE 74 CO 0.04 -0.18 0.20 -0.89 -1.23 0.00 0.00 174.94 172.89 1cej s THR 75 N -1.63 0.12 -0.15 2.92 2.01 -0.50 -4.95 115.64 113.45 1cej s THR 75 Ca 0.13 -1.01 -0.28 0.00 0.31 0.00 0.00 61.69 60.84 1cej s THR 75 Cb -0.08 -1.13 0.07 0.00 0.01 0.00 0.00 72.50 71.37 1cej s THR 75 CO 0.06 -0.56 0.69 0.00 -0.69 0.00 0.00 174.62 174.12 1cej s GLU 77 N -0.44 0.16 -1.33 0.00 2.02 -0.77 -4.95 118.70 113.38 1cej s GLU 77 Ca -0.06 0.26 -0.15 0.00 0.02 0.00 0.00 54.97 55.04 1cej s GLU 77 Cb -0.02 -1.06 0.09 0.00 0.10 0.00 0.00 34.13 33.23 1cej s GLU 77 CO 0.06 -0.59 1.86 0.00 0.02 0.00 0.00 175.26 176.60 1cej n THR 79 N 5.42 1.95 -4.16 0.00 5.66 -1.26 -4.81 114.28 117.09 1cej n THR 79 Ca 0.47 -0.78 -0.27 0.00 -3.05 0.00 0.00 64.05 60.42 1cej n THR 79 Cb 0.42 -1.64 -0.04 0.00 -1.55 0.00 0.00 70.33 67.52 1cej n THR 79 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1cej s LYS 80 N 0.92 2.24 0.10 1.09 1.02 -1.26 -5.09 119.74 118.77 1cej s LYS 80 Ca 0.26 -2.04 -0.21 0.00 0.02 0.00 0.00 55.97 54.00 1cej s LYS 80 Cb 0.12 -1.94 -0.07 0.00 -0.52 0.00 0.00 37.83 35.42 1cej s LYS 80 CO 0.00 -0.38 0.64 -1.25 -0.92 0.00 0.00 175.35 173.44 1cej s PRO 81 N -4.06 4.33 0.00 -1.68 0.05 -1.26 -3.66 135.00 128.71 1cej s PRO 81 Ca 0.30 0.88 0.00 0.00 0.05 0.00 0.00 61.00 62.23 1cej s PRO 81 Cb 0.01 -3.25 0.00 0.00 0.05 0.00 0.00 34.50 31.31 1cej s PRO 81 CO 0.18 0.61 0.00 -3.47 0.05 0.00 0.00 177.00 174.37 1cej n ASP 82 N 1.71 -1.16 -4.67 6.66 2.03 -1.26 -2.68 116.55 117.17 1cej n ASP 82 Ca -0.09 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.80 1cej n ASP 82 Cb 0.50 -1.82 -0.03 0.00 -0.72 0.00 0.00 41.12 39.05 1cej n ASP 82 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1cej s SER 83 N -2.27 6.72 -0.42 1.67 1.04 -1.20 -4.45 113.70 114.79 1cej s SER 83 Ca 0.00 2.20 0.05 0.00 0.48 0.00 0.00 55.95 58.67 1cej s SER 83 Cb 0.00 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.76 1cej s SER 83 CO 0.00 -0.87 0.39 -1.22 0.98 0.00 0.00 173.24 172.52 1cej n TYR 84 N 6.59 -1.11 -0.73 5.02 4.02 -1.24 -4.95 117.16 124.76 1cej n TYR 84 Ca 0.16 -3.18 -0.23 0.00 -0.01 0.00 0.00 57.90 54.64 1cej n TYR 84 Cb 0.43 0.31 0.01 0.00 -0.02 0.00 0.00 39.34 40.06 1cej n TYR 84 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1cej n PRO 85 N 2.70 0.00 -0.01 -0.72 -0.01 -1.26 -4.60 135.00 131.09 1cej n PRO 85 Ca 0.28 0.00 -0.00 0.00 -0.01 0.00 0.00 63.50 63.77 1cej n PRO 85 Cb 0.49 -0.60 -0.03 0.00 -0.01 0.00 0.00 33.50 33.35 1cej n PRO 85 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 175.50 176.77 1cej n LEU 86 N 1.54 0.00 0.00 2.45 4.77 -1.26 -4.77 117.00 119.74 1cej n LEU 86 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1cej n LEU 86 Cb 0.29 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1cej n LEU 86 CO 0.32 0.06 -0.13 0.49 -1.33 0.00 0.00 177.39 176.81 1cej n PHE 87 N -1.96 0.00 0.00 -1.77 3.72 -1.26 -5.00 117.46 111.18 1cej n PHE 87 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1cej n PHE 87 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 1cej n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1cej n ASP 88 N -0.74 0.00 0.00 4.37 2.03 -1.26 -4.94 116.55 116.00 1cej n ASP 88 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1cej n ASP 88 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cej n GLY 89 N 0.00 0.00 1.02 0.27 0.00 -1.26 -4.83 105.19 100.39 1cej n GLY 89 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.79 -2.70 -0.61 -5.35 -1.26 -1.87 119.36 108.36 1cej n ILE 90 Ca 0.00 -0.74 -0.04 0.00 -0.27 0.00 0.00 62.75 61.70 1cej n ILE 90 Cb 0.00 0.33 0.10 0.00 -1.74 0.00 0.00 39.64 38.33 1cej n ILE 90 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1cej n PHE 91 N 1.05 -1.35 -2.28 4.28 3.72 -1.26 -3.64 117.46 117.97 1cej n PHE 91 Ca 0.18 -1.99 -0.42 0.00 -0.05 0.00 0.00 57.45 55.17 1cej n PHE 91 Cb 0.48 1.08 -0.01 0.00 -0.94 0.00 0.00 39.48 40.10 1cej n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cej n SER 93 N 8.24 2.89 -2.10 0.00 2.88 -1.26 -4.53 113.62 119.74 1cej n SER 93 Ca 0.49 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 59.17 1cej n SER 93 Cb 0.44 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1cej n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1cej n SER 94 N 2.30 0.00 0.00 -3.46 2.88 -1.26 -3.25 113.62 110.83 1cej n SER 94 Ca 0.12 -0.47 0.09 0.00 -1.33 0.00 0.00 58.87 57.27 1cej n SER 94 Cb 0.32 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 64.20 1cej n SER 94 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1cej n SER 95 N -1.42 0.00 0.00 -3.46 7.64 -1.09 -4.76 113.62 110.52 1cej n SER 95 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1cej n SER 95 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83