#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 4.43 -2.13 2.41 2.08 -1.26 -4.85 119.36 120.04 1cej n ILE 2 Ca 0.00 -5.55 -0.37 0.00 0.56 0.00 0.00 62.75 57.39 1cej n ILE 2 Cb 0.00 -2.30 0.03 0.00 -0.75 0.00 0.00 39.64 36.62 1cej n ILE 2 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1cej n SER 3 N 1.89 6.84 -1.06 4.38 2.88 -1.26 -4.43 113.62 122.86 1cej n SER 3 Ca 0.25 -3.80 0.08 0.00 -1.33 0.00 0.00 58.87 54.07 1cej n SER 3 Cb 0.36 -0.94 0.27 0.00 -0.75 0.00 0.00 64.21 63.16 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 -0.48 3.27 0.00 -1.46 6.02 -1.26 -4.64 117.38 118.84 1cej n GLN 4 Ca 0.50 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.75 1cej n GLN 4 Cb 0.33 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.79 1cej n GLN 4 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1cej n HIS 5 N 0.04 0.00 -1.02 1.08 1.44 -1.26 -4.68 115.22 110.81 1cej n HIS 5 Ca 0.21 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.62 1cej n HIS 5 Cb 0.84 0.00 0.15 0.00 0.12 0.00 0.00 29.99 31.10 1cej n HIS 5 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1cej s GLN 6 N 0.00 1.02 0.52 -1.40 0.74 -1.26 -2.31 119.66 116.96 1cej s GLN 6 Ca 0.00 1.00 0.05 0.00 0.05 0.00 0.00 55.36 56.46 1cej s GLN 6 Cb 0.00 -1.77 0.01 0.00 1.10 0.00 0.00 33.01 32.36 1cej s GLN 6 CO 0.00 -2.46 0.28 0.00 -0.55 0.00 0.00 175.29 172.57 1cej n VAL 8 N -1.58 0.00 -2.69 0.00 3.14 -1.26 -4.90 118.33 111.03 1cej n VAL 8 Ca -0.06 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.25 1cej n VAL 8 Cb 0.65 0.77 0.05 0.00 -1.06 0.00 0.00 33.84 34.25 1cej n VAL 8 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1cej n LYS 9 N 0.00 1.24 -0.08 1.45 4.81 -1.26 -5.11 118.16 119.21 1cej n LYS 9 Ca 0.00 -2.94 0.00 0.00 -0.87 0.00 0.00 58.31 54.50 1cej n LYS 9 Cb 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.05 1cej n LYS 9 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1cej n LYS 10 N -0.30 0.16 -2.69 1.64 4.81 -1.26 -5.11 118.16 115.42 1cej n LYS 10 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.43 1cej n LYS 10 Cb 0.83 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.97 1cej n LYS 10 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1cej n GLN 11 N 0.00 1.03 -1.67 1.64 6.02 -1.26 -5.12 117.38 118.02 1cej n GLN 11 Ca 0.00 -1.61 -0.46 0.00 -0.01 0.00 0.00 57.00 54.93 1cej n GLN 11 Cb 0.00 -0.02 -0.04 0.00 1.02 0.00 0.00 30.24 31.20 1cej n GLN 11 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1cej n PRO 13 N 2.85 0.26 -1.36 0.00 -0.04 -1.26 -5.01 135.00 130.42 1cej n PRO 13 Ca 0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.32 1cej n PRO 13 Cb 0.29 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 33.94 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 -2.60 0.10 -1.47 0.54 -1.52 -1.26 -3.47 119.66 109.98 1cej s GLN 14 Ca 0.00 0.11 0.00 0.00 -1.95 0.00 0.00 55.36 53.52 1cej s GLN 14 Cb 0.00 -1.73 0.00 0.00 -0.22 0.00 0.00 33.01 31.06 1cej s GLN 14 CO 0.00 -2.87 0.00 0.09 -0.25 0.00 0.00 175.29 172.26 1cej n ASN 15 N -4.20 -4.64 -3.58 5.90 3.02 -1.26 -4.87 115.26 105.63 1cej n ASN 15 Ca 0.10 0.18 -0.02 0.00 -0.03 0.00 0.00 54.58 54.81 1cej n ASN 15 Cb 0.59 -3.98 -0.05 0.00 -0.61 0.00 0.00 39.78 35.72 1cej n ASN 15 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1cej s SER 16 N -2.13 -0.76 0.33 6.41 1.04 -1.23 0.10 113.70 117.47 1cej s SER 16 Ca 0.00 1.13 0.05 0.00 0.48 0.00 0.00 55.95 57.61 1cej s SER 16 Cb 0.00 1.61 -0.01 0.00 0.10 0.00 0.00 66.02 67.72 1cej s SER 16 CO 0.00 -0.17 0.47 -0.83 0.98 0.00 0.00 173.24 173.69 1cej s GLY 17 N 2.05 1.50 0.85 7.32 0.00 0.06 -4.53 107.32 114.56 1cej s GLY 17 Ca -0.07 -1.35 -0.11 0.00 0.00 0.00 0.00 44.72 43.20 1cej s GLY 17 CO -0.18 -1.28 1.18 0.00 0.00 0.00 0.00 173.10 172.83 1cej s PHE 19 N -3.58 -1.20 -0.47 0.00 5.36 -0.29 -4.78 117.98 113.01 1cej s PHE 19 Ca 0.69 0.80 0.05 0.00 -0.96 0.00 0.00 56.93 57.50 1cej s PHE 19 Cb -0.06 0.24 0.18 0.00 -0.34 0.00 0.00 43.02 43.04 1cej s PHE 19 CO 0.49 -0.69 0.40 -2.13 -1.46 0.00 0.00 175.22 171.83 1cej n ARG 20 N 5.31 0.63 0.00 10.12 0.63 -1.08 -1.75 116.66 130.53 1cej n ARG 20 Ca 0.05 -3.48 0.00 0.00 -0.92 0.00 0.00 57.85 53.50 1cej n ARG 20 Cb 0.55 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.70 1cej n ARG 20 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1cej n HIS 21 N 2.45 0.00 0.50 -0.14 1.44 -1.26 -4.38 115.22 113.83 1cej n HIS 21 Ca 0.27 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.04 1cej n HIS 21 Cb 0.46 0.02 0.04 0.00 0.12 0.00 0.00 29.99 30.63 1cej n HIS 21 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1cej n LEU 22 N 0.00 1.92 0.00 2.39 4.32 -1.26 -4.54 117.00 119.82 1cej n LEU 22 Ca 0.00 -0.97 0.00 0.00 -0.02 0.00 0.00 56.01 55.02 1cej n LEU 22 Cb 0.05 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.85 1cej n LEU 22 CO 0.00 0.36 0.05 -0.90 -1.22 0.00 0.00 177.39 175.69 1cej n ASP 23 N 0.56 0.00 0.00 -1.43 5.68 -1.26 -4.97 116.55 115.14 1cej n ASP 23 Ca 0.07 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.36 1cej n ASP 23 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1cej n ASP 23 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1cej n GLU 24 N 0.00 -0.24 -3.90 0.11 0.00 -1.26 -4.94 120.64 110.41 1cej n GLU 24 Ca 0.00 0.06 -0.25 0.00 0.00 0.00 0.00 57.16 56.97 1cej n GLU 24 Cb 0.46 -4.02 -0.03 0.00 0.00 0.00 0.00 31.44 27.84 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 -0.84 2.31 -0.14 5.31 0.52 -1.26 -4.92 118.95 119.92 1cej s ARG 25 Ca 0.00 -1.88 -0.06 0.00 -0.52 0.00 0.00 55.73 53.27 1cej s ARG 25 Cb 0.00 -2.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.32 1cej s ARG 25 CO 0.00 -0.39 0.07 -1.21 0.02 0.00 0.00 175.30 173.79 1cej s GLU 26 N -4.14 3.62 0.07 3.54 8.01 -1.26 -4.17 118.70 124.37 1cej s GLU 26 Ca 0.38 -0.30 -0.04 0.00 0.01 0.00 0.00 54.97 55.02 1cej s GLU 26 Cb -0.01 -3.12 -0.03 0.00 -4.31 0.00 0.00 34.13 26.67 1cej s GLU 26 CO 0.22 0.50 0.05 -1.21 0.01 0.00 0.00 175.26 174.83 1cej s GLU 27 N -0.27 0.71 -0.29 1.61 2.02 -0.72 -5.01 118.70 116.76 1cej s GLU 27 Ca 0.09 -1.15 -0.02 0.00 0.02 0.00 0.00 54.97 53.91 1cej s GLU 27 Cb -0.12 0.26 0.09 0.00 0.10 0.00 0.00 34.13 34.46 1cej s GLU 27 CO 0.01 -0.17 0.10 0.00 0.02 0.00 0.00 175.26 175.22 1cej s LYS 29 N 1.77 3.48 0.56 0.00 2.20 -0.72 -4.90 119.74 122.12 1cej s LYS 29 Ca 0.08 -0.27 -0.14 0.00 -0.36 0.00 0.00 55.97 55.28 1cej s LYS 29 Cb -0.17 -2.62 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 1cej s LYS 29 CO -0.26 0.09 1.00 0.00 -0.36 0.00 0.00 175.35 175.82 1cej n LEU 31 N -2.11 0.00 -4.83 0.00 4.77 0.29 -4.61 117.00 110.51 1cej n LEU 31 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.74 1cej n LEU 31 Cb 0.54 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1cej n LEU 31 CO 0.52 -0.80 0.72 -0.76 -1.33 0.00 0.00 177.39 175.74 1cej s LEU 32 N 0.00 2.85 -1.48 2.23 1.43 -1.26 -3.20 118.68 119.25 1cej s LEU 32 Ca 0.00 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1cej s LEU 32 Cb 0.00 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.09 1cej s LEU 32 CO 0.00 -1.63 0.00 0.59 0.23 0.00 0.00 176.35 175.54 1cej n ASN 33 N -3.22 -5.42 -4.50 2.29 4.13 -1.26 -4.93 115.26 102.34 1cej n ASN 33 Ca 0.07 0.34 -0.26 0.00 1.68 0.00 0.00 54.58 56.41 1cej n ASN 33 Cb 0.55 -4.28 -0.10 0.00 -1.54 0.00 0.00 39.78 34.42 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 -2.17 2.08 0.13 3.10 2.02 -1.20 -0.02 117.35 121.29 1cej s TYR 34 Ca 0.00 -0.93 -0.03 0.00 -0.37 0.00 0.00 57.07 55.74 1cej s TYR 34 Cb 0.00 -1.47 0.01 0.00 -0.40 0.00 0.00 41.96 40.10 1cej s TYR 34 CO 0.00 0.13 0.22 0.36 -1.57 0.00 0.00 175.55 174.69 1cej n LYS 35 N -0.91 0.32 -4.46 -0.62 2.85 -0.26 -4.63 118.16 110.45 1cej n LYS 35 Ca -0.07 -0.85 -0.34 0.00 -1.05 0.00 0.00 58.31 56.00 1cej n LYS 35 Cb 0.67 0.93 -0.10 0.00 -0.65 0.00 0.00 35.03 35.87 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 -2.15 3.03 -0.29 -1.58 -0.21 -1.26 -1.90 119.66 115.30 1cej s GLN 36 Ca 0.08 -0.47 0.04 0.00 0.02 0.00 0.00 55.36 55.03 1cej s GLN 36 Cb -0.01 -2.75 0.19 0.00 1.00 0.00 0.00 33.01 31.44 1cej s GLN 36 CO 0.05 0.61 0.58 -2.00 -2.12 0.00 0.00 175.29 172.41 1cej s GLU 37 N -0.64 0.55 7.33 2.91 2.12 -1.01 -4.80 118.70 125.16 1cej s GLU 37 Ca 0.10 0.61 0.00 0.00 0.36 0.00 0.00 54.97 56.04 1cej s GLU 37 Cb -0.12 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1cej s GLU 37 CO 0.02 -0.96 0.00 0.41 -0.54 0.00 0.00 175.26 174.19 1cej n GLY 38 N 5.42 1.59 0.58 -1.50 0.00 -1.26 -3.02 105.19 107.00 1cej n GLY 38 Ca 0.03 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.57 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 8.32 3.00 -3.82 1.61 2.03 -1.26 -4.98 116.55 121.44 1cej n ASP 39 Ca 0.00 -2.29 -0.12 0.00 0.52 0.00 0.00 54.79 52.90 1cej n ASP 39 Cb 0.00 -0.28 -0.10 0.00 -0.72 0.00 0.00 41.12 40.02 1cej n ASP 39 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1cej s LYS 40 N -1.52 0.48 0.47 -0.67 -2.85 -1.17 -5.11 119.74 109.37 1cej s LYS 40 Ca 0.25 -0.17 -0.21 0.00 -1.00 0.00 0.00 55.97 54.84 1cej s LYS 40 Cb 0.16 0.21 -0.09 0.00 -2.06 0.00 0.00 37.83 36.05 1cej s LYS 40 CO 0.11 -0.11 1.03 0.00 0.10 0.00 0.00 175.35 176.48 1cej s VAL 42 N -1.97 1.87 0.77 0.00 -7.23 -0.80 -4.87 120.40 108.17 1cej s VAL 42 Ca 0.65 -2.10 -0.15 0.00 -1.81 0.00 0.00 61.98 58.57 1cej s VAL 42 Cb -0.16 -2.71 0.03 0.00 0.56 0.00 0.00 36.38 34.10 1cej s VAL 42 CO 0.20 -0.15 0.98 1.21 -0.31 0.00 0.00 175.10 177.02 1cej n GLU 43 N -0.77 0.33 -3.87 4.82 2.13 -1.26 -1.10 120.64 120.93 1cej n GLU 43 Ca -0.05 0.18 -0.28 0.00 0.66 0.00 0.00 57.16 57.66 1cej n GLU 43 Cb 0.65 -2.24 -0.16 0.00 0.27 0.00 0.00 31.44 29.95 1cej n GLU 43 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1cej s ASN 44 N -1.81 3.08 0.12 4.31 3.04 0.97 -4.54 114.94 120.11 1cej s ASN 44 Ca 0.72 -0.81 0.24 0.00 0.04 0.00 0.00 52.86 53.04 1cej s ASN 44 Cb -0.32 -0.90 0.22 0.00 -1.54 0.00 0.00 41.25 38.71 1cej s ASN 44 CO 0.52 -0.22 1.21 1.55 -3.04 0.00 0.00 177.10 177.12 1cej h PRO 45 N 8.11 0.00 -2.88 0.43 0.14 -1.94 -3.42 132.00 132.44 1cej h PRO 45 Ca -0.21 0.00 -0.61 0.00 0.14 0.00 0.00 66.00 65.33 1cej h PRO 45 Cb 1.10 0.00 -0.40 0.00 0.14 0.00 0.00 31.00 31.84 1cej h PRO 45 CO 0.39 0.00 -0.76 -0.80 0.14 0.00 0.00 178.00 176.97 1cej s ASN 46 N -4.40 3.42 -0.38 1.44 0.01 -1.26 -4.90 114.94 108.87 1cej s ASN 46 Ca 0.04 -2.82 -0.24 0.00 -0.71 0.00 0.00 52.86 49.14 1cej s ASN 46 Cb 0.13 -0.98 0.01 0.00 0.41 0.00 0.00 41.25 40.82 1cej s ASN 46 CO 0.75 -0.23 0.81 -2.16 -1.51 0.00 0.00 177.10 174.76 1cej s PRO 47 N 0.12 3.71 0.25 -0.60 0.05 -1.26 -4.98 135.00 132.29 1cej s PRO 47 Ca 0.21 0.29 0.00 0.00 0.05 0.00 0.00 61.00 61.55 1cej s PRO 47 Cb -0.17 -3.83 0.00 0.00 0.05 0.00 0.00 34.50 30.55 1cej s PRO 47 CO -0.05 -0.91 0.02 -2.37 0.05 0.00 0.00 177.00 173.74 1cej n THR 48 N 5.88 0.00 -0.03 1.26 5.66 -1.26 -4.23 114.28 121.56 1cej n THR 48 Ca 0.04 -1.14 -0.00 0.00 -3.05 0.00 0.00 64.05 59.89 1cej n THR 48 Cb 0.48 0.18 -0.07 0.00 -1.55 0.00 0.00 70.33 69.38 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 -2.09 0.00 -2.80 0.00 5.15 -1.26 -3.10 115.26 111.16 1cej n ASN 50 Ca -0.08 -0.44 -0.35 0.00 -0.60 0.00 0.00 54.58 53.10 1cej n ASN 50 Cb 0.54 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 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 -1.02 2.74 -3.69 1.20 0.28 -1.26 -4.86 120.64 114.03 1cej n GLU 51 Ca 0.11 -3.14 -0.25 0.00 -0.16 0.00 0.00 57.16 53.72 1cej n GLU 51 Cb 0.06 -2.24 0.01 0.00 1.43 0.00 0.00 31.44 30.69 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 0.01 -5.17 -2.77 -1.84 6.94 -1.18 -3.70 115.26 107.56 1cej n ASN 52 Ca 0.52 -0.78 -0.04 0.00 -0.02 0.00 0.00 54.58 54.27 1cej n ASN 52 Cb 0.34 -1.95 0.00 0.00 -2.36 0.00 0.00 39.78 35.82 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 -2.19 -7.96 -0.13 0.53 5.15 -1.19 -4.89 115.26 104.58 1cej n ASN 53 Ca -0.26 1.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.60 1cej n ASN 53 Cb 0.68 -5.34 -0.02 0.00 -0.53 0.00 0.00 39.78 34.56 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 2.53 0.84 0.00 8.20 0.00 -1.58 -3.40 103.07 109.67 1cej h GLY 54 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1cej h GLY 54 CO 0.15 0.68 0.00 0.61 0.00 0.00 0.00 176.54 177.97 1cej n GLY 55 N -0.09 1.00 3.26 4.60 0.00 -1.26 -4.71 105.19 107.98 1cej n GLY 55 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.55 -0.15 0.00 2.03 -0.23 -4.31 116.55 118.11 1cej n ASP 57 Ca -0.13 0.45 0.13 0.00 0.52 0.00 0.00 54.79 55.75 1cej n ASP 57 Cb 0.45 -0.38 0.47 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.39 2.00 0.00 -1.67 0.00 -1.90 0.99 119.26 119.06 1cej h ALA 58 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1cej h ALA 58 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1cej h ALA 58 CO 0.23 -0.17 -0.12 -3.47 0.00 0.00 0.00 179.25 175.72 1cej n ASP 59 N -4.48 0.29 -4.86 0.00 -0.08 -1.26 -4.78 116.55 101.37 1cej n ASP 59 Ca 0.13 0.38 -0.36 0.00 -1.51 0.00 0.00 54.79 53.42 1cej n ASP 59 Cb 0.43 -0.41 -0.06 0.00 2.34 0.00 0.00 41.12 43.43 1cej n ASP 59 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1cej s ALA 60 N -3.03 3.76 0.94 -1.67 0.00 0.34 -4.60 121.76 117.50 1cej s ALA 60 Ca 0.12 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1cej s ALA 60 Cb 0.17 -2.22 0.15 0.00 0.00 0.00 0.00 23.12 21.22 1cej s ALA 60 CO 0.58 0.56 1.11 0.15 0.00 0.00 0.00 175.76 178.17 1cej s LYS 61 N -1.50 0.91 0.06 0.00 1.02 -0.78 -4.51 119.74 114.93 1cej s LYS 61 Ca 0.27 0.44 0.01 0.00 0.02 0.00 0.00 55.97 56.71 1cej s LYS 61 Cb -0.14 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1cej s LYS 61 CO 0.14 -2.39 -0.06 0.00 -0.92 0.00 0.00 175.35 172.13 1cej s THR 63 N -2.56 0.02 0.00 0.00 -4.23 -0.54 -4.93 115.64 103.39 1cej s THR 63 Ca -0.00 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1cej s THR 63 Cb -0.02 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1cej s THR 63 CO -0.03 -0.09 0.00 -1.84 -0.54 0.00 0.00 174.62 172.12 1cej n GLU 64 N 2.19 2.63 -1.48 3.99 -0.00 -1.26 -1.40 120.64 125.31 1cej n GLU 64 Ca -0.16 -0.00 -0.24 0.00 -0.00 0.00 0.00 57.16 56.75 1cej n GLU 64 Cb 0.57 -0.19 0.17 0.00 -0.00 0.00 0.00 31.44 31.99 1cej n GLU 64 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1cej n GLU 65 N -0.38 -1.29 -1.33 3.44 0.28 -1.26 -3.83 120.64 116.27 1cej n GLU 65 Ca 0.00 -1.66 -0.13 0.00 -0.16 0.00 0.00 57.16 55.21 1cej n GLU 65 Cb 0.00 -1.16 -0.05 0.00 1.43 0.00 0.00 31.44 31.66 1cej n GLU 65 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1cej n ASP 66 N -3.82 -4.86 0.00 -1.84 2.03 -1.26 -4.69 116.55 102.11 1cej n ASP 66 Ca 0.14 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1cej n ASP 66 Cb 0.48 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 36.96 1cej n ASP 66 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1cej n SER 67 N -0.87 0.00 0.00 1.67 7.64 -1.25 -5.15 113.62 115.66 1cej n SER 67 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1cej n SER 67 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.00 -2.07 0.00 0.23 0.00 -1.21 -5.03 105.19 97.12 1cej n GLY 68 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1cej n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1cej n SER 69 N 0.00 0.00 -3.85 1.61 7.64 -0.20 -4.70 113.62 114.11 1cej n SER 69 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1cej n SER 69 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1cej n SER 69 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1cej n ASN 70 N 0.00 -5.18 0.00 6.43 2.85 -1.26 -1.45 115.26 116.65 1cej n ASN 70 Ca 0.00 -0.73 0.00 0.00 -0.11 0.00 0.00 54.58 53.74 1cej n ASN 70 Cb 0.00 -4.12 0.00 0.00 1.24 0.00 0.00 39.78 36.90 1cej n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1cej n GLY 71 N -1.76 3.10 3.65 8.20 0.00 -1.26 -4.88 105.19 112.24 1cej n GLY 71 Ca 0.04 -0.90 -0.51 0.00 0.00 0.00 0.00 46.02 44.65 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 1.59 -1.76 1.61 4.01 -0.53 -4.26 118.16 118.82 1cej n LYS 72 Ca 0.00 0.58 0.00 0.00 -0.51 0.00 0.00 58.31 58.38 1cej n LYS 72 Cb 0.00 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 32.22 1cej n LYS 72 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1cej n LYS 73 N 4.04 -4.62 -4.07 1.97 0.00 -1.26 -1.03 118.16 113.18 1cej n LYS 73 Ca 0.20 3.35 -0.09 0.00 0.00 0.00 0.00 58.31 61.78 1cej n LYS 73 Cb 0.22 -3.53 -0.10 0.00 0.00 0.00 0.00 35.03 31.62 1cej n LYS 73 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1cej s ILE 74 N -0.63 0.30 0.00 3.15 -1.09 -1.26 -4.52 121.20 117.16 1cej s ILE 74 Ca 0.00 -1.53 -0.07 0.00 -2.23 0.00 0.00 60.65 56.82 1cej s ILE 74 Cb 0.00 -1.14 0.00 0.00 -1.58 0.00 0.00 42.46 39.74 1cej s ILE 74 CO 0.00 -0.79 0.14 -0.89 -1.23 0.00 0.00 174.94 172.17 1cej s THR 75 N -2.99 0.08 -0.07 2.92 2.01 -0.49 -4.98 115.64 112.12 1cej s THR 75 Ca 0.00 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1cej s THR 75 Cb 0.01 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 1cej s THR 75 CO -0.06 -0.36 -0.16 0.00 -0.69 0.00 0.00 174.62 173.35 1cej s GLU 77 N -0.32 1.69 -0.30 0.00 0.41 -0.50 -4.93 118.70 114.75 1cej s GLU 77 Ca 0.02 -2.54 -0.29 0.00 -0.41 0.00 0.00 54.97 51.75 1cej s GLU 77 Cb -0.13 -2.64 -0.01 0.00 -1.78 0.00 0.00 34.13 29.57 1cej s GLU 77 CO 0.02 -1.24 1.61 0.00 -0.49 0.00 0.00 175.26 175.17 1cej n THR 79 N 6.87 2.85 -3.88 0.00 5.66 -1.26 -4.90 114.28 119.61 1cej n THR 79 Ca 0.19 -1.81 -0.23 0.00 -3.05 0.00 0.00 64.05 59.15 1cej n THR 79 Cb 0.46 -1.38 -0.05 0.00 -1.55 0.00 0.00 70.33 67.81 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 -1.77 2.39 -0.08 1.09 3.01 -1.26 -5.10 119.74 118.01 1cej s LYS 80 Ca 0.35 -1.66 -0.26 0.00 -1.01 0.00 0.00 55.97 53.39 1cej s LYS 80 Cb 0.26 -2.19 -0.03 0.00 -1.01 0.00 0.00 37.83 34.87 1cej s LYS 80 CO -0.03 -0.11 0.82 -1.25 0.51 0.00 0.00 175.35 175.29 1cej s PRO 81 N -3.99 4.42 0.00 -1.68 0.05 -1.26 -4.18 135.00 128.36 1cej s PRO 81 Ca 0.43 1.08 0.00 0.00 0.05 0.00 0.00 61.00 62.56 1cej s PRO 81 Cb -0.00 -3.49 0.00 0.00 0.05 0.00 0.00 34.50 31.05 1cej s PRO 81 CO 0.25 -0.10 0.00 -3.47 0.05 0.00 0.00 177.00 173.73 1cej n ASP 82 N 4.31 0.00 -1.43 6.66 2.03 -1.26 -4.22 116.55 122.65 1cej n ASP 82 Ca 0.03 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.51 1cej n ASP 82 Cb 0.50 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.81 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 2.07 -7.74 -3.36 1.67 2.88 -1.26 -4.92 113.62 102.96 1cej n SER 83 Ca 0.00 1.46 -0.15 0.00 -1.33 0.00 0.00 58.87 58.85 1cej n SER 83 Cb 0.00 -4.93 -0.08 0.00 -0.75 0.00 0.00 64.21 58.46 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 -4.31 -0.50 -0.26 0.66 1.51 -1.26 -4.78 117.35 108.41 1cej s TYR 84 Ca 0.00 -0.46 -0.19 0.00 -1.01 0.00 0.00 57.07 55.41 1cej s TYR 84 Cb 0.00 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.47 1cej s TYR 84 CO 0.00 -0.97 0.56 -1.25 -1.11 0.00 0.00 175.55 172.78 1cej s PRO 85 N 1.83 4.08 0.06 -1.71 0.05 -1.26 -3.31 135.00 134.74 1cej s PRO 85 Ca 0.14 0.40 0.19 0.00 0.05 0.00 0.00 61.00 61.78 1cej s PRO 85 Cb -0.14 -3.65 -0.14 0.00 0.05 0.00 0.00 34.50 30.62 1cej s PRO 85 CO -0.15 -0.38 0.77 1.28 0.05 0.00 0.00 177.00 178.57 1cej n LEU 86 N 5.61 0.69 -3.08 -3.56 4.77 -1.26 -4.61 117.00 115.56 1cej n LEU 86 Ca -0.03 0.30 -0.18 0.00 -0.03 0.00 0.00 56.01 56.06 1cej n LEU 86 Cb 0.49 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1cej n LEU 86 CO 0.41 0.09 -0.14 0.49 -1.33 0.00 0.00 177.39 176.91 1cej n PHE 87 N -2.76 -1.64 0.00 -1.77 3.72 -1.26 -4.93 117.46 108.82 1cej n PHE 87 Ca -0.09 -2.80 0.00 0.00 -0.05 0.00 0.00 57.45 54.51 1cej n PHE 87 Cb 0.78 0.47 0.00 0.00 -0.94 0.00 0.00 39.48 39.79 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 2.01 0.00 0.00 4.37 -0.08 -1.26 -3.42 116.55 118.17 1cej n ASP 88 Ca 0.20 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 1cej n ASP 88 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 0.03 0.27 0.00 -1.26 -4.94 105.19 99.29 1cej n GLY 89 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.14 -2.47 -0.61 -5.35 -1.16 -1.06 119.36 108.85 1cej n ILE 90 Ca 0.00 -0.15 -0.08 0.00 -0.27 0.00 0.00 62.75 62.24 1cej n ILE 90 Cb 0.00 0.20 0.04 0.00 -1.74 0.00 0.00 39.64 38.15 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 -1.81 1.67 -0.70 4.28 3.72 -1.26 -2.47 117.46 120.88 1cej n PHE 91 Ca 0.04 -2.04 -0.32 0.00 -0.05 0.00 0.00 57.45 55.07 1cej n PHE 91 Cb 0.40 -0.27 0.16 0.00 -0.94 0.00 0.00 39.48 38.83 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 -1.96 0.00 0.00 0.00 2.88 -1.22 -4.76 113.62 108.56 1cej n SER 93 Ca 0.04 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1cej n SER 93 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1cej n SER 93 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1cej n SER 94 N -0.35 0.00 -3.62 -3.46 3.41 -1.26 -3.98 113.62 104.36 1cej n SER 94 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1cej n SER 94 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1cej n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1cej s SER 95 N 1.00 -0.59 0.00 4.04 1.04 -1.26 -4.37 113.70 113.56 1cej s SER 95 Ca 0.00 0.92 0.24 0.00 0.48 0.00 0.00 55.95 57.60 1cej s SER 95 Cb 0.00 1.32 0.27 0.00 0.10 0.00 0.00 66.02 67.71 1cej s SER 95 CO 0.00 -0.14 1.31 0.59 0.98 0.00 0.00 173.24 175.97