#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 4.71 -0.03 2.41 -1.09 -1.26 -4.99 121.20 120.96 1cej s ILE 2 Ca 0.00 0.81 0.20 0.00 -2.23 0.00 0.00 60.65 59.44 1cej s ILE 2 Cb 0.00 -3.68 0.36 0.00 -1.58 0.00 0.00 42.46 37.56 1cej s ILE 2 CO 0.00 -0.40 1.15 -1.20 -1.23 0.00 0.00 174.94 173.26 1cej n SER 3 N -0.94 0.96 -2.80 3.58 7.64 -1.26 -5.05 113.62 115.75 1cej n SER 3 Ca 0.03 -2.23 -0.05 0.00 1.01 0.00 0.00 58.87 57.63 1cej n SER 3 Cb 0.54 -0.31 0.01 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.21 -2.81 -1.08 1.43 7.27 -1.26 -4.86 117.38 116.28 1cej n GLN 4 Ca 0.07 2.38 -0.24 0.00 0.07 0.00 0.00 57.00 59.28 1cej n GLN 4 Cb 1.02 -5.57 0.07 0.00 2.41 0.00 0.00 30.24 28.18 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 0.08 2.37 -0.12 3.69 8.25 -1.26 -4.31 115.22 123.92 1cej n HIS 5 Ca 0.07 -2.33 0.08 0.00 -0.26 0.00 0.00 57.72 55.29 1cej n HIS 5 Cb 0.29 -1.13 0.29 0.00 1.12 0.00 0.00 29.99 30.55 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 -0.36 3.03 0.00 -0.41 7.27 -1.26 -3.61 117.38 122.04 1cej n GLN 6 Ca 0.46 -2.28 0.00 0.00 0.07 0.00 0.00 57.00 55.25 1cej n GLN 6 Cb 0.75 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 31.69 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 -1.26 1.30 -2.01 0.00 0.31 -1.26 -4.94 118.33 110.47 1cej n VAL 8 Ca 0.00 0.20 -0.04 0.00 -0.01 0.00 0.00 64.34 64.49 1cej n VAL 8 Cb 0.00 -2.16 -0.04 0.00 -0.91 0.00 0.00 33.84 30.73 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 -4.13 0.00 -1.63 5.55 4.81 -1.26 -5.13 118.16 116.37 1cej n LYS 9 Ca -0.11 -0.61 -0.36 0.00 -0.87 0.00 0.00 58.31 56.36 1cej n LYS 9 Cb 0.40 0.28 0.08 0.00 0.02 0.00 0.00 35.03 35.81 1cej n LYS 9 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1cej n LYS 10 N 0.01 0.97 -3.79 1.64 5.02 -1.26 -4.99 118.16 115.76 1cej n LYS 10 Ca -0.16 0.39 -0.30 0.00 -2.02 0.00 0.00 58.31 56.23 1cej n LYS 10 Cb 0.63 -2.52 -0.14 0.00 -0.02 0.00 0.00 35.03 32.98 1cej n LYS 10 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1cej s GLN 11 N -3.47 1.26 0.76 1.97 0.74 -1.26 -4.97 119.66 114.70 1cej s GLN 11 Ca 0.81 -1.84 -0.06 0.00 0.05 0.00 0.00 55.36 54.32 1cej s GLN 11 Cb -0.37 -2.51 0.12 0.00 1.10 0.00 0.00 33.01 31.35 1cej s GLN 11 CO 0.42 -1.08 1.07 0.00 -0.55 0.00 0.00 175.29 175.14 1cej s PRO 13 N -5.33 2.63 1.24 0.00 0.05 -1.26 -5.02 135.00 127.31 1cej s PRO 13 Ca 0.66 -0.40 -0.18 0.00 0.05 0.00 0.00 61.00 61.13 1cej s PRO 13 Cb -0.07 -2.36 0.27 0.00 0.05 0.00 0.00 34.50 32.39 1cej s PRO 13 CO 0.46 -0.77 0.60 1.04 0.05 0.00 0.00 177.00 178.38 1cej n GLN 14 N -2.51 -3.26 -1.58 4.56 1.13 -1.26 -2.61 117.38 111.85 1cej n GLN 14 Ca 0.06 -0.96 -0.16 0.00 -1.94 0.00 0.00 57.00 54.00 1cej n GLN 14 Cb 0.59 -1.79 -0.06 0.00 0.11 0.00 0.00 30.24 29.09 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1cej n ASN 15 N -3.68 -4.31 -3.48 1.08 3.02 -1.26 -4.89 115.26 101.75 1cej n ASN 15 Ca 0.07 0.36 -0.15 0.00 -0.03 0.00 0.00 54.58 54.84 1cej n ASN 15 Cb 0.52 -3.88 -0.04 0.00 -0.61 0.00 0.00 39.78 35.76 1cej n ASN 15 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1cej s SER 16 N -2.33 -0.60 0.11 6.41 0.15 -1.07 0.43 113.70 116.80 1cej s SER 16 Ca 0.00 0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1cej s SER 16 Cb 0.00 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 1cej s SER 16 CO 0.00 -0.79 -0.00 -0.83 1.20 0.00 0.00 173.24 172.82 1cej s GLY 17 N -2.00 0.86 0.27 9.45 0.00 -0.32 -4.71 107.32 110.86 1cej s GLY 17 Ca -0.05 -1.40 -0.14 0.00 0.00 0.00 0.00 44.72 43.13 1cej s GLY 17 CO -0.02 -1.41 0.67 0.00 0.00 0.00 0.00 173.10 172.34 1cej s PHE 19 N -1.85 -0.55 -0.33 0.00 5.36 -0.86 -4.82 117.98 114.92 1cej s PHE 19 Ca 0.50 1.30 -0.29 0.00 -0.96 0.00 0.00 56.93 57.48 1cej s PHE 19 Cb -0.11 0.20 0.01 0.00 -0.34 0.00 0.00 43.02 42.79 1cej s PHE 19 CO 0.19 -0.27 1.14 0.50 -1.46 0.00 0.00 175.22 175.32 1cej s ARG 20 N 0.46 3.99 0.32 10.12 3.52 -1.24 -2.57 118.95 133.55 1cej s ARG 20 Ca -0.02 1.05 -0.28 0.00 -0.13 0.00 0.00 55.73 56.35 1cej s ARG 20 Cb -0.04 -3.79 -0.13 0.00 -1.56 0.00 0.00 34.95 29.43 1cej s ARG 20 CO -0.02 -1.01 1.27 0.72 -0.81 0.00 0.00 175.30 175.45 1cej n HIS 21 N 7.17 2.14 0.14 5.12 8.25 0.29 -4.79 115.22 133.55 1cej n HIS 21 Ca 0.13 0.56 0.04 0.00 -0.26 0.00 0.00 57.72 58.18 1cej n HIS 21 Cb 0.47 -2.40 0.19 0.00 1.12 0.00 0.00 29.99 29.37 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 1.00 0.14 -2.00 2.41 7.99 -1.26 -1.58 117.00 123.69 1cej n LEU 22 Ca 0.06 0.56 -0.21 0.00 -0.01 0.00 0.00 56.01 56.40 1cej n LEU 22 Cb 0.35 -0.56 0.10 0.00 -0.11 0.00 0.00 43.42 43.19 1cej n LEU 22 CO 0.62 -0.54 1.20 -0.90 -1.51 0.00 0.00 177.39 176.27 1cej n ASP 23 N -1.68 5.23 -2.85 -1.43 5.75 -1.26 -4.82 116.55 115.49 1cej n ASP 23 Ca 0.01 -3.30 -0.22 0.00 -0.01 0.00 0.00 54.79 51.27 1cej n ASP 23 Cb 0.05 -0.88 0.02 0.00 -1.03 0.00 0.00 41.12 39.28 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 -0.51 -3.93 -4.55 0.11 -0.58 -0.61 -4.98 120.64 105.60 1cej n GLU 24 Ca 0.45 0.92 -0.30 0.00 -0.42 0.00 0.00 57.16 57.81 1cej n GLU 24 Cb 1.01 -5.72 -0.07 0.00 -0.57 0.00 0.00 31.44 26.09 1cej n GLU 24 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1cej n ARG 25 N -3.73 0.73 -3.82 3.49 1.74 -1.10 -4.94 116.66 109.03 1cej n ARG 25 Ca -0.15 -3.56 -0.15 0.00 -0.77 0.00 0.00 57.85 53.22 1cej n ARG 25 Cb 0.64 1.23 -0.16 0.00 -1.02 0.00 0.00 32.46 33.15 1cej n ARG 25 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1cej s GLU 26 N -3.72 0.06 0.17 5.56 2.02 -1.26 0.10 118.70 121.64 1cej s GLU 26 Ca 0.06 0.14 -0.14 0.00 0.02 0.00 0.00 54.97 55.05 1cej s GLU 26 Cb 0.00 -0.29 0.01 0.00 0.10 0.00 0.00 34.13 33.95 1cej s GLU 26 CO 0.04 -0.14 0.41 -1.21 0.02 0.00 0.00 175.26 174.38 1cej s GLU 27 N 0.97 1.25 -0.31 1.61 2.02 -1.06 -4.88 118.70 118.30 1cej s GLU 27 Ca -0.09 -0.97 -0.08 0.00 0.02 0.00 0.00 54.97 53.85 1cej s GLU 27 Cb -0.12 0.46 0.01 0.00 0.10 0.00 0.00 34.13 34.57 1cej s GLU 27 CO -0.02 -0.50 0.12 0.00 0.02 0.00 0.00 175.26 174.87 1cej s LYS 29 N 1.54 3.49 1.10 0.00 2.20 -0.70 -4.89 119.74 122.48 1cej s LYS 29 Ca 0.03 -0.22 -0.15 0.00 -0.36 0.00 0.00 55.97 55.27 1cej s LYS 29 Cb -0.17 -3.14 0.16 0.00 -1.51 0.00 0.00 37.83 33.17 1cej s LYS 29 CO 0.04 0.65 0.51 0.00 -0.36 0.00 0.00 175.35 176.20 1cej n LEU 31 N -2.98 0.00 -4.77 0.00 4.77 0.17 -4.54 117.00 109.65 1cej n LEU 31 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.69 1cej n LEU 31 Cb 0.57 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.71 1cej n LEU 31 CO 0.53 -0.43 0.74 -0.76 -1.33 0.00 0.00 177.39 176.13 1cej s LEU 32 N 0.00 3.36 -1.38 2.23 1.43 -1.26 -2.44 118.68 120.61 1cej s LEU 32 Ca 0.00 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 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 -1.65 0.00 0.59 0.23 0.00 0.00 176.35 175.52 1cej n ASN 33 N -2.50 -5.20 -3.91 2.29 4.13 -1.26 -4.92 115.26 103.88 1cej n ASN 33 Ca 0.10 0.32 -0.28 0.00 1.68 0.00 0.00 54.58 56.40 1cej n ASN 33 Cb 0.52 -4.10 -0.16 0.00 -1.54 0.00 0.00 39.78 34.49 1cej n ASN 33 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1cej s TYR 34 N -2.08 1.76 0.42 3.10 2.02 -1.02 0.11 117.35 121.65 1cej s TYR 34 Ca 0.00 -1.07 0.07 0.00 -0.37 0.00 0.00 57.07 55.70 1cej s TYR 34 Cb 0.00 -1.35 0.07 0.00 -0.40 0.00 0.00 41.96 40.28 1cej s TYR 34 CO 0.00 -0.61 0.55 0.36 -1.57 0.00 0.00 175.55 174.28 1cej n LYS 35 N 4.86 0.74 -4.55 -0.62 2.85 -0.46 -4.41 118.16 116.57 1cej n LYS 35 Ca -0.13 -2.28 -0.34 0.00 -1.05 0.00 0.00 58.31 54.52 1cej n LYS 35 Cb 0.48 -0.12 -0.11 0.00 -0.65 0.00 0.00 35.03 34.62 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 -3.86 3.06 -0.20 -1.58 0.74 -1.26 -1.45 119.66 115.10 1cej s GLN 36 Ca 0.41 -0.54 -0.29 0.00 0.05 0.00 0.00 55.36 55.00 1cej s GLN 36 Cb -0.03 -2.70 0.13 0.00 1.10 0.00 0.00 33.01 31.51 1cej s GLN 36 CO 0.26 0.53 1.05 -2.00 -0.55 0.00 0.00 175.29 174.58 1cej s GLU 37 N -0.43 0.51 7.97 1.67 2.12 -1.15 -4.87 118.70 124.53 1cej s GLU 37 Ca 0.06 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.61 1cej s GLU 37 Cb -0.12 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.51 1cej s GLU 37 CO 0.02 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 1cej n GLY 38 N 1.04 4.09 0.08 -1.50 0.00 -1.26 -1.91 105.19 105.73 1cej n GLY 38 Ca -0.10 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 8.00 2.27 -3.46 1.61 9.92 -1.26 -5.03 116.55 128.60 1cej n ASP 39 Ca 0.00 -2.61 -0.14 0.00 -0.53 0.00 0.00 54.79 51.52 1cej n ASP 39 Cb 0.00 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.20 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 -2.05 1.20 0.17 -1.24 -2.85 -0.80 -5.14 119.74 109.04 1cej s LYS 40 Ca 0.19 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.62 1cej s LYS 40 Cb 0.16 0.56 -0.08 0.00 -2.06 0.00 0.00 37.83 36.41 1cej s LYS 40 CO 0.02 -0.48 1.18 0.00 0.10 0.00 0.00 175.35 176.17 1cej n VAL 42 N 2.63 0.00 -2.60 0.00 0.24 -0.53 -4.86 118.33 113.21 1cej n VAL 42 Ca 0.04 -2.05 -0.37 0.00 -2.04 0.00 0.00 64.34 59.92 1cej n VAL 42 Cb 0.45 -0.23 -0.05 0.00 -1.47 0.00 0.00 33.84 32.55 1cej n VAL 42 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1cej s GLU 43 N -4.37 4.37 -0.58 7.34 2.12 -1.26 -1.35 118.70 124.97 1cej s GLU 43 Ca 0.42 1.51 0.06 0.00 0.36 0.00 0.00 54.97 57.32 1cej s GLU 43 Cb -0.03 -2.74 0.20 0.00 0.26 0.00 0.00 34.13 31.82 1cej s GLU 43 CO 0.27 0.05 0.53 -1.71 -0.54 0.00 0.00 175.26 173.86 1cej n ASN 44 N 0.34 2.01 -0.27 -1.70 2.85 0.30 -4.64 115.26 114.15 1cej n ASN 44 Ca 0.03 -3.01 0.23 0.00 -0.11 0.00 0.00 54.58 51.72 1cej n ASN 44 Cb 0.49 -0.67 0.39 0.00 1.24 0.00 0.00 39.78 41.23 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 1.77 -0.02 -3.44 1.20 -0.01 -1.26 -2.70 135.00 130.52 1cej n PRO 45 Ca 0.25 0.73 -0.26 0.00 -0.01 0.00 0.00 63.50 64.21 1cej n PRO 45 Cb 0.42 -1.44 -0.11 0.00 -0.01 0.00 0.00 33.50 32.36 1cej n PRO 45 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 1cej s ASN 46 N -4.42 2.58 1.11 2.55 2.20 -1.26 -5.00 114.94 112.70 1cej s ASN 46 Ca -0.04 -1.91 -0.17 0.00 -0.94 0.00 0.00 52.86 49.80 1cej s ASN 46 Cb 0.18 -0.14 0.17 0.00 -2.00 0.00 0.00 41.25 39.46 1cej s ASN 46 CO 0.48 -0.31 0.27 -0.81 -2.94 0.00 0.00 177.10 173.78 1cej n PRO 47 N 4.26 -2.36 -1.21 3.55 -0.04 -1.10 -5.05 135.00 133.04 1cej n PRO 47 Ca 0.09 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1cej n PRO 47 Cb 0.40 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 1cej n PRO 47 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1cej n THR 48 N -4.60 0.00 0.00 0.52 5.66 -1.26 -4.91 114.28 109.69 1cej n THR 48 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1cej n THR 48 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 -1.26 0.00 -2.58 0.00 5.15 -1.26 -2.82 115.26 112.48 1cej n ASN 50 Ca 0.00 0.16 -0.30 0.00 -0.60 0.00 0.00 54.58 53.84 1cej n ASN 50 Cb 0.00 -0.28 -0.03 0.00 -0.53 0.00 0.00 39.78 38.93 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 -1.28 2.48 -3.78 1.20 -0.58 -1.26 -4.84 120.64 112.58 1cej n GLU 51 Ca 0.04 -2.62 -0.24 0.00 -0.42 0.00 0.00 57.16 53.92 1cej n GLU 51 Cb 0.07 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 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 0.53 -4.91 -2.10 1.62 0.23 -1.13 -3.85 115.26 105.64 1cej n ASN 52 Ca 0.50 -0.95 -0.03 0.00 -0.53 0.00 0.00 54.58 53.57 1cej n ASN 52 Cb 0.48 -1.77 0.00 0.00 -2.08 0.00 0.00 39.78 36.41 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 -2.60 -4.76 0.21 0.53 2.85 -1.17 -4.82 115.26 105.51 1cej n ASN 53 Ca -0.31 0.38 0.18 0.00 -0.11 0.00 0.00 54.58 54.72 1cej n ASN 53 Cb 0.69 -3.02 0.83 0.00 1.24 0.00 0.00 39.78 39.51 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 1.07 0.00 0.00 8.20 0.00 -1.66 -3.39 103.07 107.29 1cej h GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cej h GLY 54 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.23 1cej n GLY 55 N -1.36 0.00 2.93 4.60 0.00 -1.26 -4.80 105.19 105.30 1cej n GLY 55 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 2.30 0.00 0.25 0.00 -0.08 -0.10 -3.59 116.55 115.32 1cej n ASP 57 Ca 0.32 0.96 0.11 0.00 -1.51 0.00 0.00 54.79 54.67 1cej n ASP 57 Cb 0.34 -1.45 0.58 0.00 2.34 0.00 0.00 41.12 42.93 1cej n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cej h ALA 58 N 2.86 1.28 0.00 -1.67 0.00 -1.92 0.81 119.26 120.63 1cej h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1cej h ALA 58 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1cej h ALA 58 CO 0.00 -0.28 -1.55 -0.40 0.00 0.00 0.00 179.25 177.01 1cej n ASP 59 N -2.48 0.84 -4.92 0.00 5.75 -1.26 -4.98 116.55 109.50 1cej n ASP 59 Ca -0.01 -0.26 -0.25 0.00 -0.01 0.00 0.00 54.79 54.26 1cej n ASP 59 Cb 0.36 1.60 0.06 0.00 -1.03 0.00 0.00 41.12 42.12 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cej s ALA 60 N -3.10 3.35 0.62 2.12 0.00 0.28 -4.24 121.76 120.80 1cej s ALA 60 Ca -0.03 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.91 1cej s ALA 60 Cb 0.12 -2.45 0.09 0.00 0.00 0.00 0.00 23.12 20.88 1cej s ALA 60 CO 0.75 -1.19 0.86 0.15 0.00 0.00 0.00 175.76 176.33 1cej s LYS 61 N -5.13 2.09 -0.02 0.00 -0.14 -0.48 -4.74 119.74 111.31 1cej s LYS 61 Ca 0.60 -1.27 0.02 0.00 -1.36 0.00 0.00 55.97 53.96 1cej s LYS 61 Cb -0.10 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 1cej s LYS 61 CO 0.43 -1.06 -0.07 0.00 -0.76 0.00 0.00 175.35 173.90 1cej s THR 63 N 0.24 1.27 -0.01 0.00 -4.23 -0.70 -4.98 115.64 107.23 1cej s THR 63 Ca -0.03 -0.70 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 1cej s THR 63 Cb -0.08 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.72 1cej s THR 63 CO 0.00 0.35 0.92 -1.84 -0.54 0.00 0.00 174.62 173.52 1cej n GLU 64 N 2.67 0.08 -1.67 3.99 -0.00 -1.26 -1.86 120.64 122.58 1cej n GLU 64 Ca -0.15 -0.98 -0.49 0.00 -0.00 0.00 0.00 57.16 55.54 1cej n GLU 64 Cb 0.54 -0.54 -0.05 0.00 -0.00 0.00 0.00 31.44 31.39 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 -0.06 1.92 -0.69 3.44 1.02 -1.26 -4.62 120.64 120.39 1cej n GLU 65 Ca 0.01 0.70 -0.28 0.00 -0.02 0.00 0.00 57.16 57.56 1cej n GLU 65 Cb 0.66 -2.48 0.24 0.00 -0.02 0.00 0.00 31.44 29.84 1cej n GLU 65 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1cej s ASP 66 N 2.80 1.26 0.00 1.62 1.01 -1.26 -4.59 116.67 117.51 1cej s ASP 66 Ca 0.89 1.41 0.00 0.00 0.71 0.00 0.00 52.55 55.56 1cej s ASP 66 Cb -0.77 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 40.99 1cej s ASP 66 CO 0.50 -4.01 0.00 -0.24 0.21 0.00 0.00 175.17 171.63 1cej n SER 67 N -4.78 0.00 0.00 0.27 2.88 -1.26 -5.00 113.62 105.73 1cej n SER 67 Ca 0.03 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 1cej n SER 67 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 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 1.70 3.47 0.46 0.00 -1.26 -5.18 105.19 104.38 1cej n GLY 68 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 1cej n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cej s SER 69 N 2.00 -0.44 -1.01 1.61 1.04 -1.26 -5.00 113.70 110.64 1cej s SER 69 Ca 0.00 -0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.33 1cej s SER 69 Cb 0.00 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1cej s SER 69 CO 0.00 -0.76 0.82 0.59 0.98 0.00 0.00 173.24 174.87 1cej n ASN 70 N -0.30 -6.32 0.00 7.02 4.13 -1.26 -4.91 115.26 113.62 1cej n ASN 70 Ca -0.12 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.43 1cej n ASN 70 Cb 0.63 -4.41 0.00 0.00 -1.54 0.00 0.00 39.78 34.46 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cej n GLY 71 N -1.51 3.10 3.88 7.41 0.00 -1.26 -5.14 105.19 111.67 1cej n GLY 71 Ca -0.08 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1cej n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cej s LYS 72 N -1.22 3.76 -0.18 1.61 1.02 -1.26 -4.78 119.74 118.68 1cej s LYS 72 Ca 0.00 0.44 -0.02 0.00 0.02 0.00 0.00 55.97 56.41 1cej s LYS 72 Cb 0.00 -2.40 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 1cej s LYS 72 CO 0.00 -0.03 -0.10 0.15 -0.92 0.00 0.00 175.35 174.45 1cej s LYS 73 N -3.88 3.32 0.15 1.68 1.02 -1.26 -4.96 119.74 115.82 1cej s LYS 73 Ca 0.51 -0.68 0.08 0.00 0.02 0.00 0.00 55.97 55.90 1cej s LYS 73 Cb -0.10 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1cej s LYS 73 CO 0.32 -0.05 -0.05 0.42 -0.92 0.00 0.00 175.35 175.07 1cej s ILE 74 N 1.03 3.49 0.09 2.17 -1.09 -1.26 -4.26 121.20 121.36 1cej s ILE 74 Ca -0.00 -1.43 -0.23 0.00 -2.23 0.00 0.00 60.65 56.76 1cej s ILE 74 Cb -0.15 -2.71 0.06 0.00 -1.58 0.00 0.00 42.46 38.08 1cej s ILE 74 CO -0.02 -0.04 0.55 -0.89 -1.23 0.00 0.00 174.94 173.31 1cej s THR 75 N -1.57 0.02 -0.10 2.92 2.01 -0.77 -5.01 115.64 113.14 1cej s THR 75 Ca 0.25 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1cej s THR 75 Cb -0.10 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 1cej s THR 75 CO 0.16 -0.10 -0.10 0.00 -0.69 0.00 0.00 174.62 173.89 1cej s GLU 77 N -0.23 1.31 0.21 0.00 2.02 -1.04 -4.95 118.70 116.02 1cej s GLU 77 Ca 0.02 -1.94 -0.32 0.00 0.02 0.00 0.00 54.97 52.75 1cej s GLU 77 Cb -0.13 -2.48 -0.13 0.00 0.10 0.00 0.00 34.13 31.50 1cej s GLU 77 CO 0.03 -1.11 1.59 0.00 0.02 0.00 0.00 175.26 175.79 1cej n THR 79 N 3.06 0.81 -2.38 0.00 5.66 -1.26 -4.85 114.28 115.32 1cej n THR 79 Ca 0.14 -0.36 -0.24 0.00 -3.05 0.00 0.00 64.05 60.53 1cej n THR 79 Cb 0.32 -0.51 0.05 0.00 -1.55 0.00 0.00 70.33 68.65 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 -1.34 2.40 -0.10 1.09 1.02 -1.26 -5.05 119.74 116.50 1cej s LYS 80 Ca 0.14 -0.39 -0.26 0.00 0.02 0.00 0.00 55.97 55.47 1cej s LYS 80 Cb 0.10 -2.29 -0.02 0.00 -0.52 0.00 0.00 37.83 35.10 1cej s LYS 80 CO 0.04 -0.99 0.85 -1.25 -0.92 0.00 0.00 175.35 173.07 1cej s PRO 81 N -5.05 4.40 0.00 -1.68 0.05 -1.26 -4.16 135.00 127.29 1cej s PRO 81 Ca 0.58 1.11 0.00 0.00 0.05 0.00 0.00 61.00 62.74 1cej s PRO 81 Cb -0.11 -3.51 0.00 0.00 0.05 0.00 0.00 34.50 30.93 1cej s PRO 81 CO 0.43 -0.17 0.00 -3.47 0.05 0.00 0.00 177.00 173.84 1cej n ASP 82 N 4.56 0.00 -1.37 6.66 -0.08 -1.26 -4.81 116.55 120.25 1cej n ASP 82 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1cej n ASP 82 Cb 0.50 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.96 1cej n ASP 82 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1cej n SER 83 N 2.06 -7.54 -3.01 1.67 2.88 -1.26 -4.97 113.62 103.45 1cej n SER 83 Ca 0.00 1.07 -0.17 0.00 -1.33 0.00 0.00 58.87 58.44 1cej n SER 83 Cb 0.00 -3.99 -0.01 0.00 -0.75 0.00 0.00 64.21 59.46 1cej n SER 83 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cej n TYR 84 N -0.90 -1.47 -1.09 0.66 4.11 -1.26 -5.07 117.16 112.13 1cej n TYR 84 Ca 0.00 -2.89 -0.43 0.00 -0.00 0.00 0.00 57.90 54.58 1cej n TYR 84 Cb 0.00 0.42 -0.06 0.00 -0.00 0.00 0.00 39.34 39.70 1cej n TYR 84 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1cej n PRO 85 N 1.29 0.00 0.11 -3.48 -0.01 -1.26 -3.77 135.00 127.88 1cej n PRO 85 Ca 0.16 0.00 -0.04 0.00 -0.01 0.00 0.00 63.50 63.61 1cej n PRO 85 Cb 0.59 -1.02 0.06 0.00 -0.01 0.00 0.00 33.50 33.12 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 2.61 0.04 0.00 2.45 3.38 -1.80 -3.46 115.31 118.52 1cej h LEU 86 Ca -0.33 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1cej h LEU 86 Cb 0.96 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1cej h LEU 86 CO 0.54 0.78 0.00 0.49 0.09 0.00 0.00 178.44 180.34 1cej n PHE 87 N -3.65 0.00 -1.21 1.13 3.72 -1.26 -4.99 117.46 111.19 1cej n PHE 87 Ca -0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.44 1cej n PHE 87 Cb 0.74 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.48 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 2.81 0.00 4.37 9.92 -1.26 -4.90 116.55 127.49 1cej n ASP 88 Ca 0.00 -3.35 0.00 0.00 -0.53 0.00 0.00 54.79 50.91 1cej n ASP 88 Cb 0.00 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 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 -1.01 2.11 0.37 0.44 0.00 -1.26 -4.83 105.19 101.00 1cej n GLY 89 Ca 0.23 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.41 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 0.80 -4.34 -0.61 3.07 -1.91 -3.35 117.51 111.17 1cej h ILE 90 Ca 0.00 -0.09 -0.38 0.00 1.55 0.00 0.00 64.86 65.94 1cej h ILE 90 Cb 0.00 0.52 -0.08 0.00 -0.27 0.00 0.00 36.82 36.99 1cej h ILE 90 CO 0.00 0.05 -0.31 0.49 -1.05 0.00 0.00 178.15 177.33 1cej n PHE 91 N -4.44 0.22 -2.65 0.16 3.72 -1.26 -0.93 117.46 112.28 1cej n PHE 91 Ca 0.11 -1.72 -0.03 0.00 -0.05 0.00 0.00 57.45 55.76 1cej n PHE 91 Cb 0.52 -0.04 0.08 0.00 -0.94 0.00 0.00 39.48 39.09 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 -0.81 1.56 -4.99 0.00 2.88 -1.25 -4.12 113.62 106.89 1cej n SER 93 Ca -0.12 -0.61 -0.20 0.00 -1.33 0.00 0.00 58.87 56.61 1cej n SER 93 Cb 0.76 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.25 1cej n SER 93 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1cej s SER 94 N -0.22 5.16 0.00 -3.46 0.01 -1.26 -4.57 113.70 109.36 1cej s SER 94 Ca 0.00 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1cej s SER 94 Cb 0.00 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1cej s SER 94 CO 0.00 -1.10 0.00 -1.20 0.41 0.00 0.00 173.24 171.35 1cej n SER 95 N -2.01 0.00 0.00 2.44 7.64 -1.26 -4.62 113.62 115.81 1cej n SER 95 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1cej n SER 95 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1cej n SER 95 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83