#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 0.00 -0.39 2.41 -0.00 -1.26 -5.07 119.36 115.05 1cej n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1cej n ILE 2 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 39.64 39.37 1cej n ILE 2 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1cej n SER 3 N -0.87 0.00 0.00 7.28 7.64 -1.26 -4.89 113.62 121.53 1cej n SER 3 Ca 0.00 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1cej n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1cej n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cej n GLN 4 N 0.00 0.00 -2.95 1.43 6.02 -1.26 -4.44 117.38 116.18 1cej n GLN 4 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1cej n GLN 4 Cb 0.02 -0.13 0.01 0.00 1.02 0.00 0.00 30.24 31.16 1cej n GLN 4 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1cej n HIS 5 N 0.00 2.44 -0.02 1.08 8.25 -1.26 -4.78 115.22 120.93 1cej n HIS 5 Ca 0.00 -2.68 -0.13 0.00 -0.26 0.00 0.00 57.72 54.65 1cej n HIS 5 Cb 0.00 -1.19 -0.09 0.00 1.12 0.00 0.00 29.99 29.83 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 5.05 0.06 -3.50 -0.41 4.15 -1.90 -3.40 115.11 115.16 1cej h GLN 6 Ca 0.27 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1cej h GLN 6 Cb 0.55 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1cej h GLN 6 CO 1.27 0.48 -0.69 0.00 -1.93 0.00 0.00 178.83 177.96 1cej n VAL 8 N 1.35 0.00 0.00 0.00 0.24 -1.26 -4.95 118.33 113.71 1cej n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1cej n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.00 0.00 -1.41 7.34 0.00 -1.26 -5.04 118.16 117.80 1cej n LYS 9 Ca 0.00 0.46 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1cej n LYS 9 Cb 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 35.03 33.73 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 -1.89 -3.72 -3.74 -1.58 3.00 -1.26 -4.90 118.16 104.07 1cej n LYS 10 Ca 0.00 2.72 -0.30 0.00 -0.00 0.00 0.00 58.31 60.73 1cej n LYS 10 Cb 0.00 -2.90 -0.10 0.00 0.00 0.00 0.00 35.03 32.03 1cej n LYS 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1cej n GLN 11 N 0.65 2.20 -2.49 1.64 0.00 -1.26 -5.01 117.38 113.11 1cej n GLN 11 Ca 0.00 -4.53 -0.24 0.00 -0.00 0.00 0.00 57.00 52.24 1cej n GLN 11 Cb 0.00 -2.32 0.08 0.00 0.00 0.00 0.00 30.24 28.01 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1cej s PRO 13 N -5.09 3.57 1.18 0.00 0.05 -1.26 -5.03 135.00 128.42 1cej s PRO 13 Ca 0.63 0.12 -0.17 0.00 0.05 0.00 0.00 61.00 61.63 1cej s PRO 13 Cb -0.08 -2.45 0.21 0.00 0.05 0.00 0.00 34.50 32.23 1cej s PRO 13 CO 0.43 -0.08 0.43 1.04 0.05 0.00 0.00 177.00 178.87 1cej n GLN 14 N -1.93 -2.59 -1.27 4.56 6.02 -1.26 -2.41 117.38 118.49 1cej n GLN 14 Ca -0.00 -0.75 -0.09 0.00 -0.01 0.00 0.00 57.00 56.14 1cej n GLN 14 Cb 0.55 -1.78 -0.04 0.00 1.02 0.00 0.00 30.24 29.99 1cej n GLN 14 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1cej n ASN 15 N -3.02 -5.66 -3.66 1.08 5.03 -1.26 -4.90 115.26 102.87 1cej n ASN 15 Ca 0.04 0.23 -0.11 0.00 0.87 0.00 0.00 54.58 55.62 1cej n ASN 15 Cb 0.54 -3.99 -0.08 0.00 -1.02 0.00 0.00 39.78 35.23 1cej n ASN 15 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1cej s SER 16 N -2.37 -0.73 0.43 6.41 0.15 -1.01 0.75 113.70 117.32 1cej s SER 16 Ca 0.00 1.28 0.07 0.00 0.70 0.00 0.00 55.95 57.99 1cej s SER 16 Cb 0.00 1.22 -0.05 0.00 -1.71 0.00 0.00 66.02 65.47 1cej s SER 16 CO 0.00 -0.22 0.12 -0.83 1.20 0.00 0.00 173.24 173.51 1cej s GLY 17 N 0.97 2.45 0.26 9.45 0.00 -0.48 -4.55 107.32 115.41 1cej s GLY 17 Ca -0.05 -1.99 -0.04 0.00 0.00 0.00 0.00 44.72 42.64 1cej s GLY 17 CO -0.09 -2.00 0.50 0.00 0.00 0.00 0.00 173.10 171.51 1cej s PHE 19 N -2.01 -0.47 -0.34 0.00 5.36 -0.76 -4.90 117.98 114.87 1cej s PHE 19 Ca 0.42 0.92 -0.24 0.00 -0.96 0.00 0.00 56.93 57.07 1cej s PHE 19 Cb -0.11 0.24 0.01 0.00 -0.34 0.00 0.00 43.02 42.81 1cej s PHE 19 CO 0.29 -0.43 0.80 0.50 -1.46 0.00 0.00 175.22 174.92 1cej s ARG 20 N -0.79 3.85 0.47 10.12 6.06 -1.26 -2.49 118.95 134.91 1cej s ARG 20 Ca -0.09 0.46 -0.23 0.00 -2.50 0.00 0.00 55.73 53.37 1cej s ARG 20 Cb -0.03 -3.77 -0.09 0.00 0.06 0.00 0.00 34.95 31.12 1cej s ARG 20 CO 0.05 -0.79 1.10 0.72 -2.50 0.00 0.00 175.30 173.88 1cej n HIS 21 N 6.37 1.46 0.79 5.12 8.25 0.29 -4.79 115.22 132.70 1cej n HIS 21 Ca 0.04 0.51 0.07 0.00 -0.26 0.00 0.00 57.72 58.07 1cej n HIS 21 Cb 0.48 -2.26 0.38 0.00 1.12 0.00 0.00 29.99 29.71 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 0.05 0.00 -1.67 2.41 4.32 -1.26 -1.82 117.00 119.03 1cej n LEU 22 Ca 0.09 0.05 -0.12 0.00 -0.02 0.00 0.00 56.01 56.02 1cej n LEU 22 Cb 0.41 -0.05 0.21 0.00 -1.62 0.00 0.00 43.42 42.37 1cej n LEU 22 CO 0.56 -0.03 0.97 -0.90 -1.22 0.00 0.00 177.39 176.77 1cej n ASP 23 N -1.05 3.33 -2.33 -1.43 5.75 -1.26 -4.89 116.55 114.67 1cej n ASP 23 Ca 0.09 -3.61 -0.16 0.00 -0.01 0.00 0.00 54.79 51.10 1cej n ASP 23 Cb 0.05 -0.73 0.03 0.00 -1.03 0.00 0.00 41.12 39.45 1cej n ASP 23 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1cej n GLU 24 N -0.99 -3.95 -4.64 0.11 0.00 -0.75 -5.01 120.64 105.41 1cej n GLU 24 Ca 0.44 0.65 -0.29 0.00 0.00 0.00 0.00 57.16 57.96 1cej n GLU 24 Cb 1.33 -4.99 -0.08 0.00 0.00 0.00 0.00 31.44 27.70 1cej n GLU 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1cej s ARG 25 N -5.47 2.08 -0.01 5.31 1.81 -1.19 -4.94 118.95 116.53 1cej s ARG 25 Ca 0.26 -2.30 0.01 0.00 -1.72 0.00 0.00 55.73 51.98 1cej s ARG 25 Cb -0.11 -1.02 0.00 0.00 -0.45 0.00 0.00 34.95 33.37 1cej s ARG 25 CO 0.32 -0.45 -0.04 -1.21 -0.68 0.00 0.00 175.30 173.23 1cej s GLU 26 N -3.77 0.41 0.16 3.54 8.01 -1.26 0.10 118.70 125.88 1cej s GLU 26 Ca 0.14 -0.15 -0.21 0.00 0.01 0.00 0.00 54.97 54.77 1cej s GLU 26 Cb 0.02 -0.41 0.06 0.00 -4.31 0.00 0.00 34.13 29.49 1cej s GLU 26 CO 0.09 0.07 0.55 -1.21 0.01 0.00 0.00 175.26 174.77 1cej s GLU 27 N 0.03 1.24 -0.38 1.61 2.02 -1.04 -4.89 118.70 117.30 1cej s GLU 27 Ca 0.00 -0.57 -0.11 0.00 0.02 0.00 0.00 54.97 54.31 1cej s GLU 27 Cb -0.03 0.56 0.03 0.00 0.10 0.00 0.00 34.13 34.78 1cej s GLU 27 CO -0.00 -0.53 0.21 0.00 0.02 0.00 0.00 175.26 174.95 1cej s LYS 29 N 1.55 3.94 0.54 0.00 2.20 -0.51 -4.87 119.74 122.59 1cej s LYS 29 Ca 0.02 0.16 -0.22 0.00 -0.36 0.00 0.00 55.97 55.58 1cej s LYS 29 Cb -0.19 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 1cej s LYS 29 CO 0.07 0.53 1.28 0.00 -0.36 0.00 0.00 175.35 176.87 1cej n LEU 31 N -0.79 0.00 -4.76 0.00 4.77 0.23 -4.73 117.00 111.71 1cej n LEU 31 Ca 0.11 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.79 1cej n LEU 31 Cb 0.44 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.66 1cej n LEU 31 CO 0.53 -1.13 0.69 -0.76 -1.33 0.00 0.00 177.39 175.40 1cej s LEU 32 N 0.00 2.18 -1.49 2.23 1.43 -1.26 -3.16 118.68 118.61 1cej s LEU 32 Ca 0.00 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 1cej s LEU 32 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1cej s LEU 32 CO 0.00 -2.46 0.00 0.59 0.23 0.00 0.00 176.35 174.71 1cej n ASN 33 N -3.74 -4.87 -4.25 2.29 5.03 -1.26 -4.91 115.26 103.54 1cej n ASN 33 Ca 0.07 0.35 -0.21 0.00 0.87 0.00 0.00 54.58 55.65 1cej n ASN 33 Cb 0.57 -4.01 -0.10 0.00 -1.02 0.00 0.00 39.78 35.22 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 -2.16 1.77 0.19 3.10 2.02 -1.19 -1.32 117.35 119.76 1cej s TYR 34 Ca 0.00 -1.17 -0.04 0.00 -0.37 0.00 0.00 57.07 55.49 1cej s TYR 34 Cb 0.00 -1.11 0.02 0.00 -0.40 0.00 0.00 41.96 40.47 1cej s TYR 34 CO 0.00 -0.23 0.33 0.36 -1.57 0.00 0.00 175.55 174.43 1cej n LYS 35 N -0.70 0.47 -4.89 -0.62 2.85 -0.29 -4.59 118.16 110.39 1cej n LYS 35 Ca -0.02 -1.33 -0.33 0.00 -1.05 0.00 0.00 58.31 55.58 1cej n LYS 35 Cb 0.66 1.43 -0.14 0.00 -0.65 0.00 0.00 35.03 36.33 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 -2.25 2.96 -0.41 -1.58 0.74 -1.26 -2.05 119.66 115.80 1cej s GLN 36 Ca 0.12 -0.72 0.04 0.00 0.05 0.00 0.00 55.36 54.85 1cej s GLN 36 Cb -0.01 -2.47 0.17 0.00 1.10 0.00 0.00 33.01 31.79 1cej s GLN 36 CO 0.09 0.38 0.36 -1.21 -0.55 0.00 0.00 175.29 174.36 1cej s GLU 37 N -0.10 0.88 0.97 1.67 2.02 -1.12 -4.88 118.70 118.14 1cej s GLU 37 Ca -0.02 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.04 1cej s GLU 37 Cb -0.14 -1.27 0.00 0.00 0.10 0.00 0.00 34.13 32.82 1cej s GLU 37 CO 0.04 -1.37 0.00 0.41 0.02 0.00 0.00 175.26 174.36 1cej n GLY 38 N 2.98 1.20 0.00 -1.39 0.00 -1.26 -3.71 105.19 103.00 1cej n GLY 38 Ca 0.27 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 3.71 0.10 -4.13 1.61 9.92 -1.26 -5.05 116.55 121.45 1cej n ASP 39 Ca 0.00 -0.62 -0.28 0.00 -0.53 0.00 0.00 54.79 53.36 1cej n ASP 39 Cb 0.00 0.07 -0.17 0.00 -0.64 0.00 0.00 41.12 40.39 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 -0.07 2.20 0.42 -1.24 1.02 -1.24 -5.11 119.74 115.72 1cej s LYS 40 Ca 0.00 -0.65 -0.24 0.00 0.02 0.00 0.00 55.97 55.10 1cej s LYS 40 Cb 0.00 -1.78 -0.08 0.00 -0.52 0.00 0.00 37.83 35.45 1cej s LYS 40 CO 0.00 0.16 1.15 0.00 -0.92 0.00 0.00 175.35 175.74 1cej s VAL 42 N -1.50 1.37 0.58 0.00 -7.23 -0.87 -4.88 120.40 107.87 1cej s VAL 42 Ca 0.59 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.57 1cej s VAL 42 Cb -0.29 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 1cej s VAL 42 CO 0.35 0.00 1.26 -1.61 -0.31 0.00 0.00 175.10 174.79 1cej s GLU 43 N -3.81 2.98 -0.58 4.82 2.02 -1.26 -1.14 118.70 121.74 1cej s GLU 43 Ca 0.29 1.97 0.06 0.00 0.02 0.00 0.00 54.97 57.32 1cej s GLU 43 Cb 0.07 -2.03 0.28 0.00 0.10 0.00 0.00 34.13 32.55 1cej s GLU 43 CO 0.14 -1.23 0.77 -1.71 0.02 0.00 0.00 175.26 173.25 1cej n ASN 44 N -1.43 3.35 -0.41 -0.19 2.85 -0.44 -4.63 115.26 114.37 1cej n ASN 44 Ca 0.13 -3.39 0.32 0.00 -0.11 0.00 0.00 54.58 51.53 1cej n ASN 44 Cb 0.48 -0.64 0.52 0.00 1.24 0.00 0.00 39.78 41.39 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 0.62 -0.02 -3.51 1.20 -0.01 -1.26 -2.71 135.00 129.32 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 0.43 -1.77 -0.13 0.00 -0.01 0.00 0.00 33.50 32.03 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 -4.18 3.20 0.69 2.55 2.20 -1.26 -4.83 114.94 113.31 1cej s ASN 46 Ca -0.05 -1.99 -0.04 0.00 -0.94 0.00 0.00 52.86 49.85 1cej s ASN 46 Cb 0.21 -0.45 0.08 0.00 -2.00 0.00 0.00 41.25 39.09 1cej s ASN 46 CO 0.60 -0.34 0.97 -2.16 -2.94 0.00 0.00 177.10 173.23 1cej s PRO 47 N 1.28 2.01 0.06 3.55 0.05 -1.10 -5.12 135.00 135.72 1cej s PRO 47 Ca 0.16 -0.64 -0.02 0.00 0.05 0.00 0.00 61.00 60.55 1cej s PRO 47 Cb -0.21 -2.27 0.01 0.00 0.05 0.00 0.00 34.50 32.08 1cej s PRO 47 CO -0.09 -1.26 0.11 -2.37 0.05 0.00 0.00 177.00 173.44 1cej n THR 48 N -2.82 0.00 -0.05 1.26 5.66 -1.26 -5.06 114.28 112.01 1cej n THR 48 Ca 0.10 -0.16 -0.05 0.00 -3.05 0.00 0.00 64.05 60.89 1cej n THR 48 Cb 0.60 0.15 -0.07 0.00 -1.55 0.00 0.00 70.33 69.46 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 -2.41 0.46 -3.17 0.00 5.15 -1.26 -1.92 115.26 112.11 1cej n ASN 50 Ca -0.15 0.72 -0.33 0.00 -0.60 0.00 0.00 54.58 54.21 1cej n ASN 50 Cb 0.78 -0.77 -0.04 0.00 -0.53 0.00 0.00 39.78 39.22 1cej n ASN 50 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1cej n GLU 51 N -2.12 3.17 -4.05 1.20 0.28 -1.26 -4.62 120.64 113.24 1cej n GLU 51 Ca -0.01 -1.92 -0.42 0.00 -0.16 0.00 0.00 57.16 54.65 1cej n GLU 51 Cb 0.03 -2.65 0.01 0.00 1.43 0.00 0.00 31.44 30.26 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 3.63 -3.44 -2.57 -1.84 6.94 -1.20 -2.91 115.26 113.87 1cej n ASN 52 Ca 0.68 -1.25 -0.00 0.00 -0.02 0.00 0.00 54.58 53.98 1cej n ASN 52 Cb 0.26 -1.96 0.00 0.00 -2.36 0.00 0.00 39.78 35.72 1cej n ASN 52 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1cej n ASN 53 N -2.36 -6.02 -0.05 0.53 4.05 -0.81 -4.88 115.26 105.72 1cej n ASN 53 Ca -0.15 -0.02 -0.19 0.00 0.45 0.00 0.00 54.58 54.67 1cej n ASN 53 Cb 0.59 -3.99 -0.13 0.00 1.23 0.00 0.00 39.78 37.49 1cej n ASN 53 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1cej h GLY 54 N 0.39 0.09 1.76 8.20 0.00 -1.58 -3.34 103.07 108.60 1cej h GLY 54 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1cej h GLY 54 CO 0.20 0.21 -0.19 -1.33 0.00 0.00 0.00 176.54 175.43 1cej h GLY 55 N -0.68 0.00 -2.49 4.60 0.00 -1.87 -3.46 103.07 99.17 1cej h GLY 55 Ca -0.21 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.58 1cej h GLY 55 CO -0.05 0.00 -0.58 0.00 0.00 0.00 0.00 176.54 175.92 1cej n ASP 57 N -1.06 0.00 0.00 0.00 5.75 -1.05 -4.74 116.55 115.45 1cej n ASP 57 Ca -0.05 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 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 -2.44 0.00 -0.20 2.12 0.00 -1.26 -4.83 120.51 113.90 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 -3.47 0.00 0.00 0.00 177.50 174.03 1cej n ASP 59 N 0.00 0.01 -4.51 0.00 2.03 -1.26 -4.93 116.55 107.89 1cej n ASP 59 Ca 0.00 -0.23 -0.29 0.00 0.52 0.00 0.00 54.79 54.79 1cej n ASP 59 Cb 0.01 0.04 0.19 0.00 -0.72 0.00 0.00 41.12 40.65 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1cej s ALA 60 N -0.04 0.81 -0.35 -1.67 0.00 -1.26 -4.68 121.76 114.56 1cej s ALA 60 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 51.96 51.26 1cej s ALA 60 Cb 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.05 1cej s ALA 60 CO 0.00 -3.05 0.62 0.15 0.00 0.00 0.00 175.76 173.48 1cej s LYS 61 N -5.04 3.70 0.05 0.00 1.02 -1.02 -4.86 119.74 113.58 1cej s LYS 61 Ca 0.67 0.05 -0.14 0.00 0.02 0.00 0.00 55.97 56.56 1cej s LYS 61 Cb -0.17 -3.80 -0.06 0.00 -0.52 0.00 0.00 37.83 33.28 1cej s LYS 61 CO 0.57 -0.71 0.45 0.00 -0.92 0.00 0.00 175.35 174.75 1cej s THR 63 N -1.20 0.09 -0.18 0.00 -4.23 -0.94 -5.00 115.64 104.19 1cej s THR 63 Ca 0.28 -0.76 0.13 0.00 -1.18 0.00 0.00 61.69 60.16 1cej s THR 63 Cb -0.16 -0.96 0.42 0.00 1.34 0.00 0.00 72.50 73.14 1cej s THR 63 CO 0.16 -0.42 1.21 -1.84 -0.54 0.00 0.00 174.62 173.19 1cej n GLU 64 N 0.56 1.45 -1.67 3.99 -0.00 -1.26 -1.45 120.64 122.25 1cej n GLU 64 Ca -0.18 -3.15 -0.29 0.00 -0.00 0.00 0.00 57.16 53.53 1cej n GLU 64 Cb 0.60 -1.40 0.17 0.00 -0.00 0.00 0.00 31.44 30.80 1cej n GLU 64 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1cej s GLU 65 N -2.75 0.67 0.84 3.44 2.02 -1.26 -4.76 118.70 116.90 1cej s GLU 65 Ca 0.38 -0.08 -0.13 0.00 0.02 0.00 0.00 54.97 55.17 1cej s GLU 65 Cb 0.37 -1.82 0.09 0.00 0.10 0.00 0.00 34.13 32.87 1cej s GLU 65 CO -0.08 -2.44 1.09 -3.47 0.02 0.00 0.00 175.26 170.38 1cej n ASP 66 N -3.86 0.49 0.00 -0.19 -0.08 -1.26 -4.60 116.55 107.05 1cej n ASP 66 Ca 0.11 0.53 0.00 0.00 -1.51 0.00 0.00 54.79 53.92 1cej n ASP 66 Cb 0.60 -1.46 0.00 0.00 2.34 0.00 0.00 41.12 42.59 1cej n ASP 66 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1cej n SER 67 N -3.19 0.00 0.00 1.67 3.41 -1.26 -4.98 113.62 109.27 1cej n SER 67 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1cej n SER 67 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1cej n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cej n GLY 68 N 0.00 0.97 0.00 5.00 0.00 -1.26 -5.15 105.19 104.75 1cej n GLY 68 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1cej n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cej n SER 69 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.94 113.62 112.44 1cej n SER 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cej n SER 69 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1cej n SER 69 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1cej n ASN 70 N 0.00 0.00 0.00 4.04 4.13 -1.26 -5.07 115.26 117.10 1cej n ASN 70 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1cej n ASN 70 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 3.57 -0.29 3.84 7.41 0.00 -1.26 -4.88 105.19 113.59 1cej n GLY 71 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 3.67 -0.50 1.61 3.01 -1.26 -5.00 119.74 121.27 1cej s LYS 72 Ca 0.00 0.98 -0.19 0.00 -1.01 0.00 0.00 55.97 55.75 1cej s LYS 72 Cb 0.00 -2.09 0.05 0.00 -1.01 0.00 0.00 37.83 34.78 1cej s LYS 72 CO 0.00 -0.51 0.62 0.15 0.51 0.00 0.00 175.35 176.13 1cej s LYS 73 N -4.33 3.14 -0.21 1.68 -0.14 -1.26 -4.83 119.74 113.79 1cej s LYS 73 Ca 0.59 -0.83 0.02 0.00 -1.36 0.00 0.00 55.97 54.39 1cej s LYS 73 Cb -0.12 -4.08 0.04 0.00 -1.68 0.00 0.00 37.83 31.99 1cej s LYS 73 CO 0.38 -1.19 -0.15 0.42 -0.76 0.00 0.00 175.35 174.05 1cej s ILE 74 N 2.64 2.03 0.46 2.17 -1.09 -1.26 -4.02 121.20 122.13 1cej s ILE 74 Ca 0.16 -1.21 0.06 0.00 -2.23 0.00 0.00 60.65 57.43 1cej s ILE 74 Cb -0.19 -1.99 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 1cej s ILE 74 CO 0.13 0.26 0.29 -0.89 -1.23 0.00 0.00 174.94 173.50 1cej s THR 75 N 1.24 2.11 -0.05 2.92 2.01 -0.53 -5.00 115.64 118.35 1cej s THR 75 Ca -0.01 -1.56 -0.18 0.00 0.31 0.00 0.00 61.69 60.24 1cej s THR 75 Cb -0.16 -2.68 0.04 0.00 0.01 0.00 0.00 72.50 69.71 1cej s THR 75 CO -0.09 0.00 0.41 0.00 -0.69 0.00 0.00 174.62 174.25 1cej s GLU 77 N -1.04 0.88 -0.04 0.00 2.12 -0.48 -4.96 118.70 115.18 1cej s GLU 77 Ca -0.11 -1.77 -0.29 0.00 0.36 0.00 0.00 54.97 53.16 1cej s GLU 77 Cb -0.04 -1.65 -0.08 0.00 0.26 0.00 0.00 34.13 32.63 1cej s GLU 77 CO 0.05 -1.25 2.03 0.00 -0.54 0.00 0.00 175.26 175.55 1cej n THR 79 N 6.17 0.00 -0.64 0.00 5.66 -1.26 -4.78 114.28 119.42 1cej n THR 79 Ca 0.23 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.94 1cej n THR 79 Cb 0.42 -0.68 0.24 0.00 -1.55 0.00 0.00 70.33 68.76 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 -2.00 -0.69 0.03 1.09 -0.14 -1.26 -4.96 119.74 111.81 1cej s LYS 80 Ca 0.25 0.82 -0.30 0.00 -1.36 0.00 0.00 55.97 55.37 1cej s LYS 80 Cb 0.11 -1.58 -0.04 0.00 -1.68 0.00 0.00 37.83 34.64 1cej s LYS 80 CO 0.19 -3.56 1.00 -1.25 -0.76 0.00 0.00 175.35 170.96 1cej s PRO 81 N -4.54 4.57 0.00 -1.68 0.05 -1.26 -4.03 135.00 128.12 1cej s PRO 81 Ca 0.68 1.46 0.00 0.00 0.05 0.00 0.00 61.00 63.19 1cej s PRO 81 Cb -0.24 -3.43 0.00 0.00 0.05 0.00 0.00 34.50 30.88 1cej s PRO 81 CO 0.63 -0.02 0.00 -3.47 0.05 0.00 0.00 177.00 174.19 1cej n ASP 82 N 3.67 0.00 -2.88 6.66 2.03 -1.26 -4.71 116.55 120.06 1cej n ASP 82 Ca 0.06 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.36 1cej n ASP 82 Cb 0.50 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.89 1cej n ASP 82 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1cej n SER 83 N 2.10 -6.42 -3.99 1.67 2.88 -1.26 -4.93 113.62 103.67 1cej n SER 83 Ca 0.00 1.07 -0.32 0.00 -1.33 0.00 0.00 58.87 58.29 1cej n SER 83 Cb 0.00 -3.82 -0.10 0.00 -0.75 0.00 0.00 64.21 59.54 1cej n SER 83 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1cej s TYR 84 N -1.14 3.64 0.38 0.66 1.51 -1.23 -4.95 117.35 116.22 1cej s TYR 84 Ca -0.04 -3.17 -0.12 0.00 -1.01 0.00 0.00 57.07 52.73 1cej s TYR 84 Cb 0.00 -2.94 -0.10 0.00 -0.11 0.00 0.00 41.96 38.81 1cej s TYR 84 CO 0.47 -0.65 -0.15 -2.30 -1.11 0.00 0.00 175.55 171.82 1cej n PRO 85 N 2.31 0.00 0.00 -1.71 -0.01 -1.24 -3.33 135.00 131.02 1cej n PRO 85 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.67 1cej n PRO 85 Cb 0.36 -0.65 0.00 0.00 -0.01 0.00 0.00 33.50 33.19 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 1.74 0.77 0.00 2.45 4.77 0.12 -4.78 117.00 122.07 1cej n LEU 86 Ca 0.04 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1cej n LEU 86 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1cej n LEU 86 CO 0.35 0.19 0.00 0.49 -1.33 0.00 0.00 177.39 177.09 1cej n PHE 87 N -0.23 0.00 0.00 -1.77 3.72 -1.26 -5.01 117.46 112.91 1cej n PHE 87 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1cej n PHE 87 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 0.00 0.00 0.00 4.37 -0.08 -1.26 -4.95 116.55 114.63 1cej n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1cej n ASP 88 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1cej n ASP 88 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1cej n GLY 89 N 0.00 0.00 0.00 0.27 0.00 -1.26 -4.88 105.19 99.32 1cej n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -1.95 -0.61 -5.35 -1.26 -4.43 119.36 105.75 1cej n ILE 90 Ca 0.00 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.05 1cej n ILE 90 Cb 0.00 -0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 37.82 1cej n ILE 90 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1cej s PHE 91 N 0.00 1.79 -0.88 4.28 0.08 -1.26 -2.52 117.98 119.47 1cej s PHE 91 Ca 0.00 0.43 0.01 0.00 0.12 0.00 0.00 56.93 57.48 1cej s PHE 91 Cb 0.00 -4.03 0.31 0.00 -0.57 0.00 0.00 43.02 38.73 1cej s PHE 91 CO 0.00 -3.47 1.37 0.00 -0.10 0.00 0.00 175.22 173.02 1cej n SER 93 N 0.41 1.67 -1.18 0.00 3.41 -1.21 -3.85 113.62 112.87 1cej n SER 93 Ca 0.35 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1cej n SER 93 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1cej n SER 93 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1cej n SER 94 N -0.10 -6.44 -0.00 4.04 2.88 -1.26 -3.49 113.62 109.25 1cej n SER 94 Ca 0.00 1.26 -0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1cej n SER 94 Cb 0.00 -3.49 -0.00 0.00 -0.75 0.00 0.00 64.21 59.97 1cej n SER 94 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1cej h SER 95 N 0.47 0.00 -0.01 -3.46 0.87 -1.98 -3.38 113.55 106.06 1cej h SER 95 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1cej h SER 95 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 1cej h SER 95 CO 0.00 0.04 0.00 0.59 -0.53 0.00 0.00 176.83 176.93