#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 2.68 0.00 2.41 -1.09 -1.26 -4.99 121.20 118.95 1cej s ILE 2 Ca 0.00 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1cej s ILE 2 Cb 0.00 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1cej s ILE 2 CO 0.00 -0.07 0.00 -1.20 -1.23 0.00 0.00 174.94 172.44 1cej n SER 3 N -1.29 0.00 0.00 3.58 7.64 -1.26 -5.09 113.62 117.20 1cej n SER 3 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1cej n SER 3 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 -0.19 1.43 7.27 -1.26 -4.92 117.38 119.70 1cej n GLN 4 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 1cej n GLN 4 Cb 0.00 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.69 1cej n GLN 4 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1cej n HIS 5 N -0.01 0.48 0.00 3.69 8.25 -1.26 -4.72 115.22 121.65 1cej n HIS 5 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 1cej n HIS 5 Cb 0.00 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1cej n HIS 5 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1cej n GLN 6 N 0.18 3.37 -2.14 -0.41 7.27 -1.26 -2.39 117.38 122.00 1cej n GLN 6 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.13 1cej n GLN 6 Cb 0.61 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.27 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 -0.22 0.84 -2.70 0.00 0.31 -1.26 -5.02 118.33 110.27 1cej n VAL 8 Ca -0.03 0.28 -0.07 0.00 -0.01 0.00 0.00 64.34 64.51 1cej n VAL 8 Cb 0.22 -1.24 0.09 0.00 -0.91 0.00 0.00 33.84 32.01 1cej n VAL 8 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1cej n LYS 9 N -3.50 0.88 -0.02 5.55 4.81 -1.26 -4.95 118.16 119.67 1cej n LYS 9 Ca 0.00 -1.61 0.13 0.00 -0.87 0.00 0.00 58.31 55.96 1cej n LYS 9 Cb 0.00 -0.47 0.60 0.00 0.02 0.00 0.00 35.03 35.19 1cej n LYS 9 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1cej n LYS 10 N -0.05 1.42 -2.49 1.64 2.85 -1.26 -4.94 118.16 115.33 1cej n LYS 10 Ca -0.02 -0.61 -0.05 0.00 -1.05 0.00 0.00 58.31 56.58 1cej n LYS 10 Cb 0.75 -1.44 0.02 0.00 -0.65 0.00 0.00 35.03 33.72 1cej n LYS 10 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1cej n GLN 11 N -0.23 -1.09 -4.19 -1.58 -0.06 -1.26 -5.03 117.38 103.95 1cej n GLN 11 Ca 0.19 0.77 -0.35 0.00 -2.00 0.00 0.00 57.00 55.61 1cej n GLN 11 Cb 0.25 -4.05 -0.09 0.00 -4.06 0.00 0.00 30.24 22.28 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cej n PRO 13 N 2.34 -1.10 -1.76 0.00 -0.04 -1.26 -5.07 135.00 128.12 1cej n PRO 13 Ca -0.19 -2.22 -0.30 0.00 -0.04 0.00 0.00 63.50 60.75 1cej n PRO 13 Cb 0.54 -1.26 0.20 0.00 -0.04 0.00 0.00 33.50 32.94 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 -5.81 0.29 -1.79 0.54 -0.21 -1.26 -3.83 119.66 107.59 1cej s GLN 14 Ca 0.75 -0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.79 1cej s GLN 14 Cb -0.02 -1.80 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1cej s GLN 14 CO 0.52 -2.66 0.00 0.09 -2.12 0.00 0.00 175.29 171.12 1cej n ASN 15 N -3.96 -5.61 -3.72 5.90 5.03 -1.26 -4.88 115.26 106.77 1cej n ASN 15 Ca 0.15 0.11 -0.12 0.00 0.87 0.00 0.00 54.58 55.58 1cej n ASN 15 Cb 0.59 -4.74 -0.10 0.00 -1.02 0.00 0.00 39.78 34.52 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 -2.18 -0.48 0.39 6.41 1.04 -1.25 0.11 113.70 117.74 1cej s SER 16 Ca 0.00 0.89 0.07 0.00 0.48 0.00 0.00 55.95 57.39 1cej s SER 16 Cb 0.00 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.98 1cej s SER 16 CO 0.00 -0.16 0.52 -0.83 0.98 0.00 0.00 173.24 173.75 1cej s GLY 17 N 0.62 1.83 0.51 7.32 0.00 -0.07 -4.72 107.32 112.82 1cej s GLY 17 Ca -0.03 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.13 1cej s GLY 17 CO -0.04 -1.46 0.71 0.00 0.00 0.00 0.00 173.10 172.32 1cej s PHE 19 N -2.63 -0.88 -0.62 0.00 5.36 -0.52 -4.80 117.98 113.89 1cej s PHE 19 Ca 0.57 0.11 0.02 0.00 -0.96 0.00 0.00 56.93 56.67 1cej s PHE 19 Cb -0.10 0.16 0.16 0.00 -0.34 0.00 0.00 43.02 42.90 1cej s PHE 19 CO 0.37 -0.60 0.41 0.50 -1.46 0.00 0.00 175.22 174.44 1cej s ARG 20 N 1.87 2.36 -0.02 10.12 3.52 -1.21 -2.07 118.95 133.52 1cej s ARG 20 Ca 0.16 -2.84 -0.29 0.00 -0.13 0.00 0.00 55.73 52.62 1cej s ARG 20 Cb 0.01 -3.50 0.11 0.00 -1.56 0.00 0.00 34.95 30.00 1cej s ARG 20 CO -0.12 -1.18 1.29 -3.38 -0.81 0.00 0.00 175.30 171.10 1cej s HIS 21 N -0.62 0.00 0.00 5.12 -3.43 -1.24 -4.68 115.29 110.43 1cej s HIS 21 Ca 0.20 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1cej s HIS 21 Cb -0.18 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 1cej s HIS 21 CO -0.06 -0.27 0.00 1.28 -2.00 0.00 0.00 174.74 173.70 1cej n LEU 22 N -0.72 0.00 -0.34 5.38 4.77 -1.26 -3.85 117.00 120.98 1cej n LEU 22 Ca -0.02 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.99 1cej n LEU 22 Cb 0.61 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.77 1cej n LEU 22 CO 0.14 0.00 0.56 -0.90 -1.33 0.00 0.00 177.39 175.86 1cej n ASP 23 N 1.64 2.44 -2.00 -1.43 5.75 -1.26 -4.95 116.55 116.74 1cej n ASP 23 Ca 0.00 -1.96 -0.14 0.00 -0.01 0.00 0.00 54.79 52.68 1cej n ASP 23 Cb 0.00 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 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 0.06 -1.79 -5.09 0.11 4.71 -1.25 -4.93 120.64 112.46 1cej n GLU 24 Ca 0.06 0.73 -0.30 0.00 -0.01 0.00 0.00 57.16 57.64 1cej n GLU 24 Cb 0.33 -5.19 -0.15 0.00 -1.01 0.00 0.00 31.44 25.42 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1cej s ARG 25 N -4.25 1.91 -0.19 3.49 0.52 -1.26 -4.92 118.95 114.24 1cej s ARG 25 Ca 0.00 -0.98 -0.26 0.00 -0.52 0.00 0.00 55.73 53.97 1cej s ARG 25 Cb 0.00 -1.95 -0.01 0.00 0.52 0.00 0.00 34.95 33.52 1cej s ARG 25 CO 0.00 0.52 0.87 -1.21 0.02 0.00 0.00 175.30 175.50 1cej s GLU 26 N -0.88 4.27 0.15 3.54 2.02 -1.26 -3.72 118.70 122.82 1cej s GLU 26 Ca 0.10 1.06 0.06 0.00 0.02 0.00 0.00 54.97 56.22 1cej s GLU 26 Cb -0.10 -3.60 -0.04 0.00 0.10 0.00 0.00 34.13 30.49 1cej s GLU 26 CO 0.00 -0.41 -0.13 -1.21 0.02 0.00 0.00 175.26 173.53 1cej s GLU 27 N 2.44 1.12 -0.30 1.61 2.02 -0.88 -4.98 118.70 119.72 1cej s GLU 27 Ca 0.39 -1.40 -0.00 0.00 0.02 0.00 0.00 54.97 53.98 1cej s GLU 27 Cb -0.16 -0.88 0.09 0.00 0.10 0.00 0.00 34.13 33.28 1cej s GLU 27 CO 0.11 0.15 0.08 0.00 0.02 0.00 0.00 175.26 175.61 1cej s LYS 29 N 1.52 1.84 0.56 0.00 2.20 -0.49 -4.89 119.74 120.48 1cej s LYS 29 Ca 0.08 -0.70 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1cej s LYS 29 Cb -0.18 -2.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1cej s LYS 29 CO -0.21 -1.39 0.88 0.00 -0.36 0.00 0.00 175.35 174.28 1cej n LEU 31 N -2.50 0.00 -4.77 0.00 4.77 0.29 -4.11 117.00 110.67 1cej n LEU 31 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.68 1cej n LEU 31 Cb 0.56 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1cej n LEU 31 CO 0.54 -0.55 0.74 -0.76 -1.33 0.00 0.00 177.39 176.03 1cej s LEU 32 N 0.00 3.43 -1.31 2.23 1.43 -1.26 -2.42 118.68 120.78 1cej s LEU 32 Ca 0.00 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 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 -1.56 0.00 0.59 0.23 0.00 0.00 176.35 175.61 1cej n ASN 33 N -2.29 -4.96 -3.94 2.29 3.02 -1.26 -4.91 115.26 103.21 1cej n ASN 33 Ca 0.10 0.30 -0.30 0.00 -0.03 0.00 0.00 54.58 54.66 1cej n ASN 33 Cb 0.52 -3.92 -0.16 0.00 -0.61 0.00 0.00 39.78 35.60 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 -2.00 2.12 0.15 3.10 2.02 -1.02 -1.37 117.35 120.35 1cej s TYR 34 Ca 0.00 -1.41 0.00 0.00 -0.37 0.00 0.00 57.07 55.29 1cej s TYR 34 Cb 0.00 -1.50 0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1cej s TYR 34 CO 0.00 -0.70 0.20 0.36 -1.57 0.00 0.00 175.55 173.84 1cej n LYS 35 N 4.76 0.51 -4.98 -0.62 2.85 -0.33 -4.39 118.16 115.97 1cej n LYS 35 Ca -0.13 -0.57 -0.28 0.00 -1.05 0.00 0.00 58.31 56.28 1cej n LYS 35 Cb 0.47 -0.13 -0.16 0.00 -0.65 0.00 0.00 35.03 34.56 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 -2.90 2.12 -0.23 -1.58 0.74 -1.26 -1.83 119.66 114.71 1cej s GLN 36 Ca 0.14 -0.71 -0.16 0.00 0.05 0.00 0.00 55.36 54.68 1cej s GLN 36 Cb -0.01 -1.79 0.07 0.00 1.10 0.00 0.00 33.01 32.38 1cej s GLN 36 CO 0.09 0.26 0.57 -2.00 -0.55 0.00 0.00 175.29 173.66 1cej s GLU 37 N 0.05 0.61 2.24 1.67 2.12 -1.13 -4.92 118.70 119.35 1cej s GLU 37 Ca -0.06 0.95 0.00 0.00 0.36 0.00 0.00 54.97 56.22 1cej s GLU 37 Cb -0.13 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.43 1cej s GLU 37 CO 0.03 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 1cej n GLY 38 N 3.69 1.09 0.00 -1.50 0.00 -1.26 -2.25 105.19 104.95 1cej n GLY 38 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 4.71 0.00 -4.12 1.61 8.00 -1.26 -5.10 116.55 120.39 1cej n ASP 39 Ca 0.00 -0.78 -0.19 0.00 0.71 0.00 0.00 54.79 54.53 1cej n ASP 39 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1cej n ASP 39 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1cej s LYS 40 N 0.00 0.83 0.37 -1.24 -0.14 -0.96 -5.13 119.74 113.47 1cej s LYS 40 Ca 0.00 -0.73 -0.26 0.00 -1.36 0.00 0.00 55.97 53.63 1cej s LYS 40 Cb 0.00 -0.80 -0.09 0.00 -1.68 0.00 0.00 37.83 35.26 1cej s LYS 40 CO 0.00 0.20 1.08 0.00 -0.76 0.00 0.00 175.35 175.86 1cej s VAL 42 N -1.49 1.12 0.02 0.00 -7.23 -0.76 -4.90 120.40 107.16 1cej s VAL 42 Ca 0.54 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.43 1cej s VAL 42 Cb -0.26 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1cej s VAL 42 CO 0.33 0.00 0.88 -0.70 -0.31 0.00 0.00 175.10 175.30 1cej s GLU 43 N -3.84 4.55 -0.14 4.82 2.12 -1.26 -1.18 118.70 123.77 1cej s GLU 43 Ca 0.11 1.26 -0.05 0.00 0.36 0.00 0.00 54.97 56.65 1cej s GLU 43 Cb 0.02 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 1cej s GLU 43 CO 0.06 0.08 0.02 1.21 -0.54 0.00 0.00 175.26 176.09 1cej s ASN 44 N 0.59 5.34 0.09 -1.70 2.47 -0.47 -4.82 114.94 116.44 1cej s ASN 44 Ca 0.46 0.08 0.23 0.00 0.42 0.00 0.00 52.86 54.05 1cej s ASN 44 Cb -0.21 -1.75 0.18 0.00 -1.45 0.00 0.00 41.25 38.01 1cej s ASN 44 CO 0.26 0.26 1.16 -0.81 -3.72 0.00 0.00 177.10 174.24 1cej n PRO 45 N 2.94 0.32 -3.31 0.43 -0.05 -1.26 -4.70 135.00 129.38 1cej n PRO 45 Ca -0.18 0.05 -0.11 0.00 -0.05 0.00 0.00 63.50 63.21 1cej n PRO 45 Cb 0.53 -1.66 -0.06 0.00 -0.05 0.00 0.00 33.50 32.27 1cej n PRO 45 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 175.50 176.66 1cej s ASN 46 N -4.20 0.38 0.13 3.54 3.84 -1.26 -4.69 114.94 112.69 1cej s ASN 46 Ca 0.04 -1.11 -0.16 0.00 0.21 0.00 0.00 52.86 51.84 1cej s ASN 46 Cb 0.13 1.00 -0.07 0.00 -0.55 0.00 0.00 41.25 41.77 1cej s ASN 46 CO 0.76 -0.26 0.57 -2.16 -2.79 0.00 0.00 177.10 173.22 1cej s PRO 47 N 1.80 4.06 0.00 0.43 0.05 -1.26 -5.10 135.00 134.98 1cej s PRO 47 Ca 0.15 0.59 0.00 0.00 0.05 0.00 0.00 61.00 61.79 1cej s PRO 47 Cb -0.12 -3.01 0.00 0.00 0.05 0.00 0.00 34.50 31.42 1cej s PRO 47 CO -0.11 0.51 0.00 -2.37 0.05 0.00 0.00 177.00 175.08 1cej n THR 48 N 1.04 0.00 -0.03 1.26 5.66 -1.26 -4.91 114.28 116.03 1cej n THR 48 Ca -0.06 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.91 1cej n THR 48 Cb 0.51 0.00 -0.07 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 -2.20 0.00 -2.99 0.00 4.05 -1.26 -3.12 115.26 109.73 1cej n ASN 50 Ca -0.11 -0.57 -0.40 0.00 0.45 0.00 0.00 54.58 53.96 1cej n ASN 50 Cb 0.66 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.70 1cej n ASN 50 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1cej n GLU 51 N -0.93 3.05 -3.64 1.20 0.28 -1.26 -4.88 120.64 114.46 1cej n GLU 51 Ca 0.10 -3.62 -0.27 0.00 -0.16 0.00 0.00 57.16 53.21 1cej n GLU 51 Cb 0.05 -2.29 0.01 0.00 1.43 0.00 0.00 31.44 30.64 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 -0.45 -5.29 -2.77 -1.84 0.23 -1.18 -3.77 115.26 100.19 1cej n ASN 52 Ca 0.53 -0.64 -0.03 0.00 -0.53 0.00 0.00 54.58 53.90 1cej n ASN 52 Cb 0.24 -1.98 0.00 0.00 -2.08 0.00 0.00 39.78 35.97 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 -1.82 -8.01 -2.37 0.53 5.15 -1.20 -4.85 115.26 102.70 1cej n ASN 53 Ca -0.22 1.07 -0.29 0.00 -0.60 0.00 0.00 54.58 54.53 1cej n ASN 53 Cb 0.68 -5.37 0.03 0.00 -0.53 0.00 0.00 39.78 34.58 1cej n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cej n GLY 54 N 0.29 4.99 0.00 8.20 0.00 -0.94 -4.41 105.19 113.33 1cej n GLY 54 Ca 0.05 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.11 1.51 3.23 -0.02 0.00 -1.26 -4.40 105.19 104.14 1cej n GLY 55 Ca 0.49 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.15 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 4.73 -0.47 -0.08 0.00 2.03 0.35 -4.27 116.55 118.85 1cej n ASP 57 Ca -0.13 0.46 0.15 0.00 0.52 0.00 0.00 54.79 55.80 1cej n ASP 57 Cb 0.44 -0.39 0.56 0.00 -0.72 0.00 0.00 41.12 41.01 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 0.48 2.19 0.00 -1.67 0.00 -1.91 0.91 119.26 119.26 1cej h ALA 58 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cej h ALA 58 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1cej h ALA 58 CO 0.24 -0.34 -0.26 -0.25 0.00 0.00 0.00 179.25 178.63 1cej n ASP 59 N -4.45 0.39 -4.94 0.00 9.92 -1.26 -4.84 116.55 111.37 1cej n ASP 59 Ca 0.11 0.20 -0.25 0.00 -0.53 0.00 0.00 54.79 54.32 1cej n ASP 59 Cb 0.48 -0.19 -0.02 0.00 -0.64 0.00 0.00 41.12 40.75 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1cej s ALA 60 N -3.04 3.79 0.69 2.24 0.00 0.32 -4.77 121.76 120.99 1cej s ALA 60 Ca 0.11 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 1cej s ALA 60 Cb 0.17 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.33 1cej s ALA 60 CO 0.63 0.22 1.01 0.15 0.00 0.00 0.00 175.76 177.77 1cej s LYS 61 N -3.82 2.34 0.07 0.00 1.02 -0.51 -4.59 119.74 114.25 1cej s LYS 61 Ca 0.38 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.26 1cej s LYS 61 Cb -0.10 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1cej s LYS 61 CO 0.32 -1.16 -0.09 0.00 -0.92 0.00 0.00 175.35 173.49 1cej s THR 63 N -1.94 0.02 0.00 0.00 -4.23 -0.52 -5.00 115.64 103.98 1cej s THR 63 Ca -0.02 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 1cej s THR 63 Cb -0.06 -0.20 0.00 0.00 1.34 0.00 0.00 72.50 73.58 1cej s THR 63 CO -0.00 -0.10 0.28 -1.84 -0.54 0.00 0.00 174.62 172.43 1cej n GLU 64 N 2.68 0.02 -0.66 3.99 -0.00 -1.26 -1.43 120.64 123.98 1cej n GLU 64 Ca -0.15 -0.32 -0.32 0.00 -0.00 0.00 0.00 57.16 56.37 1cej n GLU 64 Cb 0.58 -0.65 0.18 0.00 -0.00 0.00 0.00 31.44 31.55 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 -0.04 -1.45 -1.67 3.44 -0.58 -1.26 -4.83 120.64 114.25 1cej n GLU 65 Ca 0.00 -0.40 -0.42 0.00 -0.42 0.00 0.00 57.16 55.93 1cej n GLU 65 Cb 0.24 -1.87 0.01 0.00 -0.57 0.00 0.00 31.44 29.25 1cej n GLU 65 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1cej n ASP 66 N -2.43 2.16 0.01 1.62 8.00 -1.26 -4.77 116.55 119.88 1cej n ASP 66 Ca 0.03 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.64 1cej n ASP 66 Cb 0.58 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 1cej n ASP 66 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1cej n SER 67 N 0.44 -0.17 0.00 -2.24 7.64 -1.26 -5.13 113.62 112.89 1cej n SER 67 Ca 0.07 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1cej n SER 67 Cb 0.38 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1cej n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cej n GLY 68 N -1.49 1.19 0.00 0.23 0.00 -1.26 -5.16 105.19 98.70 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 -1.26 0.00 0.00 0.00 173.32 172.06 1cej n SER 69 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.98 113.62 111.87 1cej n SER 69 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cej n SER 69 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1cej n SER 69 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1cej n ASN 70 N 0.00 -3.85 0.00 -3.46 5.15 -1.26 -3.60 115.26 108.25 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 -2.50 0.00 0.00 -0.53 0.00 0.00 39.78 36.75 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 -0.55 1.75 3.31 8.20 0.00 -1.26 -4.77 105.19 111.87 1cej n GLY 71 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.54 1.61 4.01 -1.24 -4.94 118.16 118.36 1cej n LYS 72 Ca 0.00 -3.48 -0.42 0.00 -0.51 0.00 0.00 58.31 53.90 1cej n LYS 72 Cb 0.00 -3.19 -0.02 0.00 -0.51 0.00 0.00 35.03 31.30 1cej n LYS 72 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1cej s LYS 73 N 2.37 3.47 0.01 1.97 1.02 -1.24 -4.94 119.74 122.41 1cej s LYS 73 Ca 0.46 0.30 -0.04 0.00 0.02 0.00 0.00 55.97 56.71 1cej s LYS 73 Cb 0.03 -4.04 -0.01 0.00 -0.52 0.00 0.00 37.83 33.29 1cej s LYS 73 CO 0.02 -1.74 0.06 0.42 -0.92 0.00 0.00 175.35 173.18 1cej s ILE 74 N 5.20 0.10 -0.02 2.17 -1.09 -1.26 -4.61 121.20 121.69 1cej s ILE 74 Ca 0.45 -0.85 -0.10 0.00 -2.23 0.00 0.00 60.65 57.92 1cej s ILE 74 Cb -0.08 -0.43 0.01 0.00 -1.58 0.00 0.00 42.46 40.38 1cej s ILE 74 CO 0.25 -0.47 0.22 -0.89 -1.23 0.00 0.00 174.94 172.82 1cej s THR 75 N -1.59 0.06 0.00 2.92 2.01 -0.52 -5.00 115.64 113.53 1cej s THR 75 Ca -0.14 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.42 1cej s THR 75 Cb -0.08 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1cej s THR 75 CO -0.00 -0.28 -0.19 0.00 -0.69 0.00 0.00 174.62 173.46 1cej s GLU 77 N -0.68 0.02 -0.59 0.00 2.12 -1.04 -5.00 118.70 113.53 1cej s GLU 77 Ca 0.07 0.27 -0.22 0.00 0.36 0.00 0.00 54.97 55.45 1cej s GLU 77 Cb -0.08 -0.92 0.06 0.00 0.26 0.00 0.00 34.13 33.46 1cej s GLU 77 CO 0.00 -0.46 0.87 0.00 -0.54 0.00 0.00 175.26 175.13 1cej n THR 79 N 5.90 1.21 -0.61 0.00 -2.24 -1.26 -4.74 114.28 112.54 1cej n THR 79 Ca -0.03 0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.84 1cej n THR 79 Cb 0.46 -1.27 0.23 0.00 -2.10 0.00 0.00 70.33 67.65 1cej n THR 79 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1cej s LYS 80 N -3.16 -0.49 -0.13 -0.78 -0.14 -1.26 -4.97 119.74 108.81 1cej s LYS 80 Ca 0.03 0.96 -0.13 0.00 -1.36 0.00 0.00 55.97 55.47 1cej s LYS 80 Cb 0.07 -1.59 -0.25 0.00 -1.68 0.00 0.00 37.83 34.37 1cej s LYS 80 CO 0.22 -3.47 0.42 -1.00 -0.76 0.00 0.00 175.35 170.76 1cej h PRO 81 N -2.45 0.21 -0.96 -1.68 0.14 -1.86 -3.32 132.00 122.08 1cej h PRO 81 Ca -0.58 -0.36 -0.01 0.00 0.14 0.00 0.00 66.00 65.19 1cej h PRO 81 Cb 1.32 0.13 -0.01 0.00 0.14 0.00 0.00 31.00 32.59 1cej h PRO 81 CO 0.49 1.17 0.01 -0.25 0.14 0.00 0.00 178.00 179.57 1cej n ASP 82 N -3.84 1.81 -4.51 1.44 8.00 -1.26 -4.86 116.55 113.33 1cej n ASP 82 Ca -0.29 -2.11 -0.42 0.00 0.71 0.00 0.00 54.79 52.67 1cej n ASP 82 Cb 0.92 -0.52 -0.07 0.00 -0.02 0.00 0.00 41.12 41.43 1cej n ASP 82 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1cej n SER 83 N 0.11 1.95 -3.20 -2.24 3.41 -0.86 -3.33 113.62 109.47 1cej n SER 83 Ca 0.04 -0.01 -0.24 0.00 -0.26 0.00 0.00 58.87 58.40 1cej n SER 83 Cb 0.40 -1.35 -0.07 0.00 -0.26 0.00 0.00 64.21 62.94 1cej n SER 83 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1cej n TYR 84 N 12.48 -0.22 -0.78 7.33 4.02 -1.25 -4.76 117.16 133.98 1cej n TYR 84 Ca 0.43 -3.59 -0.26 0.00 -0.01 0.00 0.00 57.90 54.47 1cej n TYR 84 Cb 0.33 -0.36 -0.01 0.00 -0.02 0.00 0.00 39.34 39.28 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 1.35 0.00 0.00 -0.72 -0.01 -1.26 -4.03 135.00 130.33 1cej n PRO 85 Ca 0.21 0.00 0.09 0.00 -0.01 0.00 0.00 63.50 63.79 1cej n PRO 85 Cb 0.53 -0.57 -0.04 0.00 -0.01 0.00 0.00 33.50 33.41 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 1.18 1.40 0.00 2.45 4.77 -1.23 -4.65 117.00 120.92 1cej n LEU 86 Ca 0.09 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1cej n LEU 86 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1cej n LEU 86 CO 0.32 0.29 0.00 0.49 -1.33 0.00 0.00 177.39 177.15 1cej n PHE 87 N -0.63 0.00 0.00 -1.77 3.72 -1.26 -5.02 117.46 112.50 1cej n PHE 87 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1cej n PHE 87 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1cej n PHE 87 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1cej n ASP 88 N 0.00 0.00 0.00 4.37 8.00 -1.26 -4.95 116.55 122.71 1cej n ASP 88 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1cej n ASP 88 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cej n GLY 89 N 0.00 0.00 0.05 0.44 0.00 -1.26 -4.81 105.19 99.61 1cej n GLY 89 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.28 -3.09 -0.61 -5.35 -1.21 -0.49 119.36 108.89 1cej n ILE 90 Ca 0.00 -0.14 -0.20 0.00 -0.27 0.00 0.00 62.75 62.14 1cej n ILE 90 Cb 0.00 -0.51 -0.04 0.00 -1.74 0.00 0.00 39.64 37.35 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 -1.86 -1.02 -2.19 4.28 3.72 -1.26 -3.22 117.46 115.91 1cej n PHE 91 Ca 0.06 -3.17 -0.42 0.00 -0.05 0.00 0.00 57.45 53.87 1cej n PHE 91 Cb 0.38 0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 1cej n PHE 91 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cej s SER 93 N 1.96 4.85 0.21 0.00 0.15 -1.21 -4.71 113.70 114.95 1cej s SER 93 Ca 0.65 2.17 0.00 0.00 0.70 0.00 0.00 55.95 59.47 1cej s SER 93 Cb -0.32 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 1cej s SER 93 CO 0.27 -1.81 0.00 -1.54 1.20 0.00 0.00 173.24 171.36 1cej n SER 94 N -2.35 -0.69 -4.45 5.45 3.41 -1.25 -2.03 113.62 111.72 1cej n SER 94 Ca 0.12 0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 58.67 1cej n SER 94 Cb 0.51 0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 65.23 1cej n SER 94 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1cej s SER 95 N -4.35 6.39 0.00 4.04 0.15 -1.26 -4.40 113.70 114.27 1cej s SER 95 Ca 0.00 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.12 1cej s SER 95 Cb 0.00 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1cej s SER 95 CO 0.00 -1.24 0.00 0.59 1.20 0.00 0.00 173.24 173.79