#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cej h ILE 2 N 0.00 1.20 -0.81 2.41 1.08 -2.02 -3.45 117.51 115.91 1cej h ILE 2 Ca 0.00 -0.61 -0.32 0.00 -0.39 0.00 0.00 64.86 63.54 1cej h ILE 2 Cb 0.00 0.51 -0.12 0.00 -3.07 0.00 0.00 36.82 34.14 1cej h ILE 2 CO 0.00 0.25 -0.30 -0.24 -0.69 0.00 0.00 178.15 177.17 1cej n SER 3 N -4.34 -4.88 -0.11 1.72 2.88 -1.26 -4.85 113.62 102.78 1cej n SER 3 Ca 0.05 0.37 -0.23 0.00 -1.33 0.00 0.00 58.87 57.73 1cej n SER 3 Cb 0.15 -3.78 -0.08 0.00 -0.75 0.00 0.00 64.21 59.76 1cej n SER 3 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1cej n GLN 4 N -2.54 0.46 0.06 -1.46 -0.06 -1.26 -4.60 117.38 107.97 1cej n GLN 4 Ca -0.16 0.20 0.12 0.00 -2.00 0.00 0.00 57.00 55.16 1cej n GLN 4 Cb 0.52 -1.28 0.05 0.00 -4.06 0.00 0.00 30.24 25.47 1cej n GLN 4 CO 0.00 0.00 0.00 -2.39 -0.20 0.00 0.00 177.06 174.47 1cej n HIS 5 N -4.01 0.53 -0.09 3.69 1.44 -1.26 -4.61 115.22 110.91 1cej n HIS 5 Ca -0.41 0.15 0.00 0.00 -2.01 0.00 0.00 57.72 55.45 1cej n HIS 5 Cb 0.78 -0.65 0.00 0.00 0.12 0.00 0.00 29.99 30.24 1cej n HIS 5 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1cej n GLN 6 N -2.22 0.86 -4.36 -1.40 6.02 -1.26 -3.31 117.38 111.72 1cej n GLN 6 Ca 0.01 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.82 1cej n GLN 6 Cb 0.48 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.64 1cej n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cej s VAL 8 N -3.61 4.94 -0.51 0.00 1.01 -1.26 -4.74 120.40 116.24 1cej s VAL 8 Ca 0.36 -2.27 -0.18 0.00 0.00 0.00 0.00 61.98 59.90 1cej s VAL 8 Cb 0.07 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1cej s VAL 8 CO 0.15 -0.93 0.63 1.17 0.00 0.00 0.00 175.10 176.12 1cej n LYS 9 N 4.28 -2.08 0.02 2.72 0.00 -1.26 -4.95 118.16 116.89 1cej n LYS 9 Ca 0.04 1.79 0.00 0.00 0.00 0.00 0.00 58.31 60.14 1cej n LYS 9 Cb 0.43 -4.67 0.00 0.00 0.00 0.00 0.00 35.03 30.79 1cej n LYS 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1cej n LYS 10 N -0.64 0.00 -0.80 1.64 4.81 -1.26 -5.16 118.16 116.76 1cej n LYS 10 Ca 0.03 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.58 1cej n LYS 10 Cb 0.53 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.55 1cej n LYS 10 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1cej n GLN 11 N -2.60 -1.60 0.00 1.64 7.27 -1.26 -5.02 117.38 115.82 1cej n GLN 11 Ca 0.00 1.05 0.00 0.00 0.07 0.00 0.00 57.00 58.12 1cej n GLN 11 Cb 0.00 -1.95 0.00 0.00 2.41 0.00 0.00 30.24 30.70 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1cej n PRO 13 N -0.05 0.00 -2.10 0.00 -0.01 -1.26 -4.93 135.00 126.65 1cej n PRO 13 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 63.50 63.21 1cej n PRO 13 Cb 0.00 -0.87 0.16 0.00 -0.01 0.00 0.00 33.50 32.78 1cej n PRO 13 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 175.50 174.84 1cej s GLN 14 N -1.74 0.94 -1.71 -0.52 -1.52 -1.26 -3.84 119.66 110.00 1cej s GLN 14 Ca 0.32 -0.59 0.00 0.00 -1.95 0.00 0.00 55.36 53.14 1cej s GLN 14 Cb 0.04 -1.98 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 1cej s GLN 14 CO 0.61 -2.15 0.00 0.09 -0.25 0.00 0.00 175.29 173.59 1cej n ASN 15 N -3.51 -4.58 -3.68 5.90 5.03 -1.26 -4.88 115.26 108.27 1cej n ASN 15 Ca 0.15 0.34 -0.10 0.00 0.87 0.00 0.00 54.58 55.84 1cej n ASN 15 Cb 0.60 -4.07 -0.10 0.00 -1.02 0.00 0.00 39.78 35.19 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 -2.34 -0.63 0.36 6.41 1.04 -1.25 0.10 113.70 117.39 1cej s SER 16 Ca 0.00 1.07 0.07 0.00 0.48 0.00 0.00 55.95 57.57 1cej s SER 16 Cb 0.00 0.96 -0.01 0.00 0.10 0.00 0.00 66.02 67.06 1cej s SER 16 CO 0.00 -0.20 0.42 -0.83 0.98 0.00 0.00 173.24 173.60 1cej s GLY 17 N 1.34 1.77 0.73 7.32 0.00 -0.05 -4.78 107.32 113.65 1cej s GLY 17 Ca -0.09 -1.61 -0.11 0.00 0.00 0.00 0.00 44.72 42.91 1cej s GLY 17 CO -0.13 -1.50 1.10 0.00 0.00 0.00 0.00 173.10 172.57 1cej s PHE 19 N -3.30 -0.84 -0.99 0.00 5.36 -0.51 -4.76 117.98 112.95 1cej s PHE 19 Ca 0.59 0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 57.21 1cej s PHE 19 Cb -0.12 0.22 0.26 0.00 -0.34 0.00 0.00 43.02 43.04 1cej s PHE 19 CO 0.52 -0.47 1.02 -2.13 -1.46 0.00 0.00 175.22 172.70 1cej n ARG 20 N 5.35 3.25 -3.58 10.12 0.63 -1.21 -1.98 116.66 129.25 1cej n ARG 20 Ca 0.01 -4.50 -0.10 0.00 -0.92 0.00 0.00 57.85 52.33 1cej n ARG 20 Cb 0.55 -2.46 0.00 0.00 0.45 0.00 0.00 32.46 31.00 1cej n ARG 20 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1cej n HIS 21 N 2.15 -1.87 0.00 -0.14 8.25 -1.23 -4.64 115.22 117.73 1cej n HIS 21 Ca 0.24 -1.85 0.00 0.00 -0.26 0.00 0.00 57.72 55.85 1cej n HIS 21 Cb 0.37 0.69 0.00 0.00 1.12 0.00 0.00 29.99 32.18 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 0.00 0.00 -0.19 2.41 4.77 -1.26 -3.86 117.00 118.87 1cej n LEU 22 Ca -0.04 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.98 1cej n LEU 22 Cb 0.53 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.70 1cej n LEU 22 CO 0.25 0.00 0.56 -0.90 -1.33 0.00 0.00 177.39 175.97 1cej n ASP 23 N 1.42 2.39 -1.71 -1.43 5.68 -1.26 -4.94 116.55 116.70 1cej n ASP 23 Ca 0.00 -2.35 -0.14 0.00 -0.50 0.00 0.00 54.79 51.80 1cej n ASP 23 Cb 0.00 -0.19 -0.05 0.00 -1.14 0.00 0.00 41.12 39.75 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 -0.57 -1.54 -4.27 0.11 1.02 -1.25 -4.92 120.64 109.23 1cej n GLU 24 Ca 0.08 0.80 -0.19 0.00 -0.02 0.00 0.00 57.16 57.82 1cej n GLU 24 Cb 0.43 -5.17 -0.11 0.00 -0.02 0.00 0.00 31.44 26.57 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1cej s ARG 25 N -3.73 1.10 -0.01 3.49 0.52 -1.26 -4.93 118.95 114.12 1cej s ARG 25 Ca 0.00 -1.28 -0.30 0.00 -0.52 0.00 0.00 55.73 53.63 1cej s ARG 25 Cb 0.00 -1.05 -0.04 0.00 0.52 0.00 0.00 34.95 34.38 1cej s ARG 25 CO 0.00 0.21 1.15 -1.21 0.02 0.00 0.00 175.30 175.46 1cej s GLU 26 N -2.66 4.42 0.33 3.54 8.01 -1.26 -3.51 118.70 127.57 1cej s GLU 26 Ca 0.11 1.64 0.07 0.00 0.01 0.00 0.00 54.97 56.79 1cej s GLU 26 Cb -0.05 -3.47 -0.03 0.00 -4.31 0.00 0.00 34.13 26.27 1cej s GLU 26 CO 0.04 -0.30 0.28 -2.00 0.01 0.00 0.00 175.26 173.29 1cej s GLU 27 N 1.60 1.76 -0.19 1.61 2.12 -0.84 -4.96 118.70 119.80 1cej s GLU 27 Ca 0.56 -2.01 -0.03 0.00 0.36 0.00 0.00 54.97 53.84 1cej s GLU 27 Cb -0.25 0.33 0.06 0.00 0.26 0.00 0.00 34.13 34.53 1cej s GLU 27 CO 0.25 -0.65 0.05 0.00 -0.54 0.00 0.00 175.26 174.37 1cej s LYS 29 N 1.91 3.34 0.64 0.00 2.20 -0.67 -4.92 119.74 122.23 1cej s LYS 29 Ca -0.00 -0.67 -0.12 0.00 -0.36 0.00 0.00 55.97 54.82 1cej s LYS 29 Cb -0.17 -2.78 -0.02 0.00 -1.51 0.00 0.00 37.83 33.36 1cej s LYS 29 CO -0.09 0.19 1.04 0.00 -0.36 0.00 0.00 175.35 176.14 1cej n LEU 31 N -2.71 0.00 -4.79 0.00 4.77 0.29 -4.52 117.00 110.04 1cej n LEU 31 Ca 0.07 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.72 1cej n LEU 31 Cb 0.54 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1cej n LEU 31 CO 0.54 -0.49 0.73 -0.76 -1.33 0.00 0.00 177.39 176.08 1cej s LEU 32 N 0.00 3.57 -0.35 2.23 1.43 -1.26 -2.59 118.68 121.71 1cej s LEU 32 Ca 0.00 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 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 -1.20 0.00 0.59 0.23 0.00 0.00 176.35 175.97 1cej n ASN 33 N -1.81 -5.63 -4.05 2.29 3.02 -1.26 -4.93 115.26 102.88 1cej n ASN 33 Ca 0.10 0.08 -0.31 0.00 -0.03 0.00 0.00 54.58 54.42 1cej n ASN 33 Cb 0.52 -3.42 -0.16 0.00 -0.61 0.00 0.00 39.78 36.11 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 -1.38 2.35 0.25 3.10 2.02 -1.07 0.65 117.35 123.27 1cej s TYR 34 Ca 0.00 -1.34 0.04 0.00 -0.37 0.00 0.00 57.07 55.39 1cej s TYR 34 Cb 0.00 -1.69 0.04 0.00 -0.40 0.00 0.00 41.96 39.91 1cej s TYR 34 CO 0.00 -0.71 0.30 0.36 -1.57 0.00 0.00 175.55 173.93 1cej n LYS 35 N 4.72 0.93 -4.10 -0.62 2.85 -0.31 -4.46 118.16 117.17 1cej n LYS 35 Ca -0.18 -1.42 -0.32 0.00 -1.05 0.00 0.00 58.31 55.33 1cej n LYS 35 Cb 0.50 -0.02 -0.07 0.00 -0.65 0.00 0.00 35.03 34.79 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 -3.11 3.01 -0.47 -1.58 -0.21 -1.26 -1.53 119.66 114.51 1cej s GLN 36 Ca 0.23 -0.55 0.06 0.00 0.02 0.00 0.00 55.36 55.12 1cej s GLN 36 Cb -0.02 -2.81 0.19 0.00 1.00 0.00 0.00 33.01 31.37 1cej s GLN 36 CO 0.14 0.62 0.58 -1.91 -2.12 0.00 0.00 175.29 172.60 1cej n GLU 37 N 0.99 0.43 0.00 2.91 2.13 -0.98 -4.77 120.64 121.35 1cej n GLU 37 Ca -0.12 -2.53 0.00 0.00 0.66 0.00 0.00 57.16 55.18 1cej n GLU 37 Cb 0.52 -1.53 0.00 0.00 0.27 0.00 0.00 31.44 30.70 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 2.71 1.75 0.00 8.31 0.00 -1.26 -3.16 105.19 113.55 1cej n GLY 38 Ca 0.22 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1cej n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cej n ASP 39 N 5.86 1.52 -3.78 1.61 2.03 -1.26 -5.00 116.55 117.54 1cej n ASP 39 Ca 0.00 -1.67 -0.16 0.00 0.52 0.00 0.00 54.79 53.48 1cej n ASP 39 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1cej n ASP 39 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1cej s LYS 40 N -0.67 0.03 0.41 -0.67 1.02 -1.19 -5.11 119.74 113.56 1cej s LYS 40 Ca 0.00 0.17 -0.24 0.00 0.02 0.00 0.00 55.97 55.92 1cej s LYS 40 Cb 0.00 -0.31 -0.08 0.00 -0.52 0.00 0.00 37.83 36.92 1cej s LYS 40 CO 0.00 -0.17 1.11 0.00 -0.92 0.00 0.00 175.35 175.37 1cej s VAL 42 N -1.57 0.97 -0.16 0.00 -7.23 -0.58 -4.88 120.40 106.94 1cej s VAL 42 Ca 0.59 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.47 1cej s VAL 42 Cb -0.26 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 1cej s VAL 42 CO 0.32 0.00 1.19 -1.61 -0.31 0.00 0.00 175.10 174.69 1cej s GLU 43 N -3.89 4.27 -0.21 4.82 2.02 -1.26 -1.16 118.70 123.29 1cej s GLU 43 Ca 0.02 1.58 -0.23 0.00 0.02 0.00 0.00 54.97 56.36 1cej s GLU 43 Cb 0.00 -3.69 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 1cej s GLU 43 CO 0.01 -0.63 0.74 1.21 0.02 0.00 0.00 175.26 176.61 1cej s ASN 44 N 1.68 6.78 0.13 -0.19 3.84 0.21 -4.78 114.94 122.62 1cej s ASN 44 Ca 0.52 0.96 0.23 0.00 0.21 0.00 0.00 52.86 54.79 1cej s ASN 44 Cb -0.21 -2.40 0.13 0.00 -0.55 0.00 0.00 41.25 38.22 1cej s ASN 44 CO 0.14 -0.39 1.12 -0.81 -2.79 0.00 0.00 177.10 174.38 1cej n PRO 45 N 5.45 0.42 -3.32 0.43 -0.05 -1.26 -4.65 135.00 132.02 1cej n PRO 45 Ca 0.02 0.07 -0.19 0.00 -0.05 0.00 0.00 63.50 63.36 1cej n PRO 45 Cb 0.49 -1.72 -0.08 0.00 -0.05 0.00 0.00 33.50 32.14 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 -4.62 1.11 0.25 3.54 3.04 -1.26 -4.59 114.94 112.41 1cej s ASN 46 Ca 0.03 -1.94 -0.09 0.00 0.04 0.00 0.00 52.86 50.90 1cej s ASN 46 Cb 0.12 0.42 -0.07 0.00 -1.54 0.00 0.00 41.25 40.19 1cej s ASN 46 CO 0.77 -0.22 0.56 -2.16 -3.04 0.00 0.00 177.10 173.00 1cej s PRO 47 N 1.08 3.76 0.00 0.43 0.04 -1.26 -5.08 135.00 133.97 1cej s PRO 47 Ca 0.21 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1cej s PRO 47 Cb -0.11 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.79 1cej s PRO 47 CO -0.05 0.28 0.00 -2.37 0.04 0.00 0.00 177.00 174.90 1cej n THR 48 N -0.35 0.00 0.00 1.26 5.66 -1.26 -4.85 114.28 114.74 1cej n THR 48 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1cej n THR 48 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 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 -1.33 0.00 -2.58 0.00 2.85 -1.26 -2.91 115.26 110.03 1cej n ASN 50 Ca 0.00 -0.25 -0.28 0.00 -0.11 0.00 0.00 54.58 53.94 1cej n ASN 50 Cb 0.07 -0.09 -0.05 0.00 1.24 0.00 0.00 39.78 40.95 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 -1.09 2.57 -3.73 1.20 -0.58 -1.26 -4.82 120.64 112.93 1cej n GLU 51 Ca 0.09 -2.47 -0.23 0.00 -0.42 0.00 0.00 57.16 54.13 1cej n GLU 51 Cb 0.06 -2.18 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 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 0.89 -5.08 -2.78 1.62 0.23 -1.18 -3.47 115.26 105.48 1cej n ASN 52 Ca 0.50 -0.89 -0.07 0.00 -0.53 0.00 0.00 54.58 53.59 1cej n ASN 52 Cb 0.52 -1.95 0.01 0.00 -2.08 0.00 0.00 39.78 36.28 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 -2.54 -7.76 -2.05 0.53 5.15 -1.15 -4.81 115.26 102.64 1cej n ASN 53 Ca -0.30 0.63 -0.16 0.00 -0.60 0.00 0.00 54.58 54.15 1cej n ASN 53 Cb 0.68 -5.24 -0.05 0.00 -0.53 0.00 0.00 39.78 34.64 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 -0.18 3.64 0.00 8.20 0.00 -1.22 -4.24 105.19 111.38 1cej n GLY 54 Ca 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 1.25 1.76 3.25 -0.02 0.00 -1.26 -4.38 105.19 105.79 1cej n GLY 55 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 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 4.76 -0.39 -0.06 0.00 2.03 -0.58 -4.28 116.55 118.03 1cej n ASP 57 Ca -0.13 0.44 0.23 0.00 0.52 0.00 0.00 54.79 55.85 1cej n ASP 57 Cb 0.44 -0.36 0.69 0.00 -0.72 0.00 0.00 41.12 41.17 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 0.53 2.59 0.00 -1.67 0.00 -1.91 0.89 119.26 119.70 1cej h ALA 58 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1cej h ALA 58 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cej h ALA 58 CO 0.23 -0.78 -0.81 -0.25 0.00 0.00 0.00 179.25 177.64 1cej n ASP 59 N -4.35 0.70 -4.92 0.00 8.00 -1.26 -4.89 116.55 109.82 1cej n ASP 59 Ca 0.13 0.08 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 1cej n ASP 59 Cb 0.71 0.39 0.04 0.00 -0.02 0.00 0.00 41.12 42.24 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 -3.22 3.31 0.58 2.24 0.00 0.31 -4.80 121.76 120.17 1cej s ALA 60 Ca 0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 1cej s ALA 60 Cb 0.13 -2.57 0.03 0.00 0.00 0.00 0.00 23.12 20.72 1cej s ALA 60 CO 0.76 -0.90 0.82 0.15 0.00 0.00 0.00 175.76 176.59 1cej s LYS 61 N -5.02 2.55 0.02 0.00 -0.14 -0.77 -4.63 119.74 111.74 1cej s LYS 61 Ca 0.55 -0.58 0.02 0.00 -1.36 0.00 0.00 55.97 54.59 1cej s LYS 61 Cb -0.11 -2.41 -0.01 0.00 -1.68 0.00 0.00 37.83 33.62 1cej s LYS 61 CO 0.45 -0.78 -0.06 0.00 -0.76 0.00 0.00 175.35 174.20 1cej s THR 63 N -0.68 0.76 0.00 0.00 -4.23 -0.84 -4.97 115.64 105.67 1cej s THR 63 Ca -0.04 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1cej s THR 63 Cb -0.05 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.15 1cej s THR 63 CO -0.00 0.21 0.03 -1.84 -0.54 0.00 0.00 174.62 172.47 1cej n GLU 64 N 2.83 0.60 -1.51 3.99 -0.00 -1.26 -1.68 120.64 123.59 1cej n GLU 64 Ca -0.14 -0.03 -0.39 0.00 -0.00 0.00 0.00 57.16 56.60 1cej n GLU 64 Cb 0.57 -0.25 -0.02 0.00 -0.00 0.00 0.00 31.44 31.74 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 -0.09 3.89 0.00 3.44 -0.58 -1.26 -4.74 120.64 121.29 1cej n GLU 65 Ca 0.00 -2.55 0.00 0.00 -0.42 0.00 0.00 57.16 54.19 1cej n GLU 65 Cb 0.08 -2.78 0.00 0.00 -0.57 0.00 0.00 31.44 28.16 1cej n GLU 65 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1cej n ASP 66 N 3.24 4.40 0.00 1.62 2.03 -1.26 -5.19 116.55 121.39 1cej n ASP 66 Ca 0.73 0.00 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1cej n ASP 66 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 1cej n ASP 66 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1cej n SER 67 N 0.00 0.00 0.00 1.67 2.88 -1.26 -5.01 113.62 111.90 1cej n SER 67 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1cej n SER 67 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.24 0.20 1.68 0.46 0.00 -1.26 -5.09 105.19 100.93 1cej n GLY 68 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.08 1.60 -0.13 1.61 2.88 -1.26 -5.07 113.62 112.17 1cej n SER 69 Ca 0.00 -1.80 -0.26 0.00 -1.33 0.00 0.00 58.87 55.48 1cej n SER 69 Cb 0.00 -0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.30 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 -2.08 1.96 0.00 -3.46 5.15 -1.26 -4.85 115.26 110.72 1cej n ASN 70 Ca 0.01 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 1cej n ASN 70 Cb 0.27 -0.75 0.00 0.00 -0.53 0.00 0.00 39.78 38.77 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 1.54 -1.32 3.95 8.20 0.00 -1.26 -4.90 105.19 111.41 1cej n GLY 71 Ca -0.49 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 3.44 -0.24 1.61 0.00 -1.26 -5.09 119.74 118.19 1cej s LYS 72 Ca 0.00 -0.64 -0.00 0.00 0.00 0.00 0.00 55.97 55.33 1cej s LYS 72 Cb 0.00 -2.94 0.07 0.00 0.00 0.00 0.00 37.83 34.96 1cej s LYS 72 CO 0.00 0.49 0.01 0.15 0.00 0.00 0.00 175.35 176.00 1cej s LYS 73 N -3.47 1.13 -0.01 1.78 1.02 -1.26 -4.47 119.74 114.47 1cej s LYS 73 Ca 0.34 -0.89 -0.07 0.00 0.02 0.00 0.00 55.97 55.37 1cej s LYS 73 Cb -0.10 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.85 1cej s LYS 73 CO 0.29 -0.71 0.15 0.42 -0.92 0.00 0.00 175.35 174.57 1cej s ILE 74 N 1.55 0.07 0.14 2.17 -1.09 -1.26 -4.72 121.20 118.05 1cej s ILE 74 Ca -0.00 -0.59 0.01 0.00 -2.23 0.00 0.00 60.65 57.84 1cej s ILE 74 Cb -0.18 -0.42 -0.04 0.00 -1.58 0.00 0.00 42.46 40.24 1cej s ILE 74 CO -0.11 -0.32 0.01 -0.89 -1.23 0.00 0.00 174.94 172.39 1cej s THR 75 N -1.18 0.45 -0.02 2.92 2.01 -0.68 -5.02 115.64 114.12 1cej s THR 75 Ca -0.13 -1.93 0.03 0.00 0.31 0.00 0.00 61.69 59.97 1cej s THR 75 Cb -0.07 -1.97 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 1cej s THR 75 CO 0.01 -0.59 -0.10 0.00 -0.69 0.00 0.00 174.62 173.26 1cej s GLU 77 N -0.08 0.54 -1.13 0.00 2.02 -0.94 -4.99 118.70 114.12 1cej s GLU 77 Ca 0.01 -0.96 -0.22 0.00 0.02 0.00 0.00 54.97 53.83 1cej s GLU 77 Cb -0.06 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.51 1cej s GLU 77 CO -0.00 -1.03 1.80 0.00 0.02 0.00 0.00 175.26 176.05 1cej n THR 79 N 7.28 2.09 -3.57 0.00 5.66 -1.26 -4.84 114.28 119.63 1cej n THR 79 Ca 0.43 -0.65 -0.23 0.00 -3.05 0.00 0.00 64.05 60.55 1cej n THR 79 Cb 0.47 -1.47 0.00 0.00 -1.55 0.00 0.00 70.33 67.79 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 -0.26 2.36 0.08 1.09 1.02 -1.26 -5.06 119.74 117.71 1cej s LYS 80 Ca 0.04 -1.77 -0.22 0.00 0.02 0.00 0.00 55.97 54.05 1cej s LYS 80 Cb 0.03 -2.32 -0.07 0.00 -0.52 0.00 0.00 37.83 34.96 1cej s LYS 80 CO -0.00 -0.54 0.65 -1.25 -0.92 0.00 0.00 175.35 173.28 1cej s PRO 81 N -4.33 4.35 0.00 -1.68 0.05 -1.26 -3.64 135.00 128.49 1cej s PRO 81 Ca 0.45 0.88 0.00 0.00 0.05 0.00 0.00 61.00 62.38 1cej s PRO 81 Cb -0.03 -3.28 0.00 0.00 0.05 0.00 0.00 34.50 31.24 1cej s PRO 81 CO 0.28 0.53 0.00 -3.47 0.05 0.00 0.00 177.00 174.39 1cej n ASP 82 N 2.00 -2.73 -4.60 6.66 -0.08 -1.26 -4.79 116.55 111.74 1cej n ASP 82 Ca -0.08 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.77 1cej n ASP 82 Cb 0.50 -2.20 -0.03 0.00 2.34 0.00 0.00 41.12 41.74 1cej n ASP 82 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1cej s SER 83 N -2.14 5.79 -0.54 1.67 1.04 -1.24 -2.84 113.70 115.45 1cej s SER 83 Ca 0.00 1.56 0.04 0.00 0.48 0.00 0.00 55.95 58.03 1cej s SER 83 Cb 0.00 -2.52 0.17 0.00 0.10 0.00 0.00 66.02 63.77 1cej s SER 83 CO 0.00 -1.75 0.41 -1.22 0.98 0.00 0.00 173.24 171.66 1cej n TYR 84 N 10.57 0.85 -0.74 5.02 4.02 -1.25 -4.78 117.16 130.86 1cej n TYR 84 Ca 0.25 -3.73 -0.33 0.00 -0.01 0.00 0.00 57.90 54.07 1cej n TYR 84 Cb 0.46 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.60 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 2.44 0.00 0.05 -0.72 -0.01 -1.24 -4.33 135.00 131.20 1cej n PRO 85 Ca 0.26 0.00 -0.09 0.00 -0.01 0.00 0.00 63.50 63.66 1cej n PRO 85 Cb 0.43 -0.81 0.04 0.00 -0.01 0.00 0.00 33.50 33.15 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 4.38 0.46 0.00 2.45 3.38 -1.54 -3.45 115.31 120.99 1cej h LEU 86 Ca -0.10 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1cej h LEU 86 Cb 0.76 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1cej h LEU 86 CO 0.58 1.02 0.00 0.49 0.09 0.00 0.00 178.44 180.61 1cej n PHE 87 N -3.85 0.00 -1.22 1.13 3.72 -1.26 -4.97 117.46 111.01 1cej n PHE 87 Ca -0.04 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.41 1cej n PHE 87 Cb 0.68 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 39.43 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 2.82 0.00 4.37 9.92 -1.26 -4.89 116.55 127.50 1cej n ASP 88 Ca 0.00 -3.36 0.00 0.00 -0.53 0.00 0.00 54.79 50.90 1cej n ASP 88 Cb 0.00 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.94 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 -1.00 1.73 0.33 0.44 0.00 -1.26 -4.85 105.19 100.58 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 0.69 -3.07 -0.61 3.07 -1.87 -1.54 117.51 114.19 1cej h ILE 90 Ca 0.00 0.00 -0.53 0.00 1.55 0.00 0.00 64.86 65.88 1cej h ILE 90 Cb 0.00 0.84 -0.40 0.00 -0.27 0.00 0.00 36.82 36.99 1cej h ILE 90 CO 0.00 0.00 -0.76 -0.36 -1.05 0.00 0.00 178.15 175.98 1cej s PHE 91 N -4.87 0.85 -0.47 0.16 0.08 -1.26 -2.72 117.98 109.74 1cej s PHE 91 Ca -0.05 -0.99 -0.02 0.00 0.12 0.00 0.00 56.93 55.99 1cej s PHE 91 Cb 0.17 -1.10 0.13 0.00 -0.57 0.00 0.00 43.02 41.64 1cej s PHE 91 CO 0.64 -0.72 0.27 0.00 -0.10 0.00 0.00 175.22 175.30 1cej s SER 93 N 1.35 -0.37 0.00 0.00 0.01 -1.26 -4.45 113.70 108.99 1cej s SER 93 Ca 0.11 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1cej s SER 93 Cb -0.22 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1cej s SER 93 CO -0.04 -1.01 0.00 -1.20 0.41 0.00 0.00 173.24 171.40 1cej n SER 94 N -0.40 0.00 0.00 2.44 7.64 -1.13 -3.88 113.62 118.29 1cej n SER 94 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1cej n SER 94 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1cej n SER 94 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1cej n SER 95 N -0.28 0.00 0.00 6.43 3.41 -1.26 -4.69 113.62 117.22 1cej n SER 95 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cej n SER 95 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1cej n SER 95 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47