#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn8 n SER 2 N 0.00 0.00 0.00 1.61 3.41 -1.26 -5.19 113.62 112.19 2dn8 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2dn8 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2dn8 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dn8 n SER 3 N 0.00 0.00 0.00 4.04 7.64 -1.26 -5.18 113.62 118.86 2dn8 n SER 3 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dn8 n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dn8 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn8 n GLY 4 N -0.10 4.23 3.57 0.23 0.00 -1.26 -5.18 105.19 106.68 2dn8 n GLY 4 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 2dn8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn8 s SER 5 N 0.00 -0.55 0.05 1.61 0.15 -1.26 -5.06 113.70 108.64 2dn8 s SER 5 Ca 0.00 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.39 2dn8 s SER 5 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2dn8 s SER 5 CO 0.00 -0.41 0.00 -1.20 1.20 0.00 0.00 173.24 172.83 2dn8 n SER 6 N 1.29 -0.43 0.00 5.45 7.64 -1.26 -5.15 113.62 121.16 2dn8 n SER 6 Ca -0.15 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2dn8 n SER 6 Cb 0.57 0.77 0.00 0.00 -1.01 0.00 0.00 64.21 64.54 2dn8 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn8 n GLY 7 N -1.14 4.34 3.49 0.23 0.00 -1.26 -5.18 105.19 105.67 2dn8 n GLY 7 Ca 0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 2dn8 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dn8 s THR 8 N -0.16 0.75 -0.00 2.61 -4.23 -1.26 -5.16 115.64 108.19 2dn8 s THR 8 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2dn8 s THR 8 Cb 0.00 -2.47 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 2dn8 s THR 8 CO 0.00 0.00 -0.05 0.00 -0.54 0.00 0.00 174.62 174.03 2dn8 n VAL 10 N 2.92 -0.42 -1.00 0.00 0.24 -1.26 -5.13 118.33 113.69 2dn8 n VAL 10 Ca -0.13 -3.25 0.12 0.00 -2.04 0.00 0.00 64.34 59.04 2dn8 n VAL 10 Cb 0.58 -0.65 -0.04 0.00 -1.47 0.00 0.00 33.84 32.27 2dn8 n VAL 10 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2dn8 n PHE 11 N 1.31 -2.26 -3.90 6.34 3.01 -1.26 -4.74 117.46 115.95 2dn8 n PHE 11 Ca 0.17 1.16 -0.35 0.00 1.01 0.00 0.00 57.45 59.44 2dn8 n PHE 11 Cb 0.58 -2.05 -0.13 0.00 -0.01 0.00 0.00 39.48 37.86 2dn8 n PHE 11 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2dn8 s GLU 12 N -2.57 3.55 -0.34 -1.08 8.01 -1.26 -5.00 118.70 120.01 2dn8 s GLU 12 Ca 0.00 -0.54 -0.07 0.00 0.01 0.00 0.00 54.97 54.37 2dn8 s GLU 12 Cb 0.00 -3.14 0.19 0.00 -4.31 0.00 0.00 34.13 26.87 2dn8 s GLU 12 CO 0.00 -0.13 1.02 0.21 0.01 0.00 0.00 175.26 176.36 2dn8 s LYS 13 N 1.38 0.27 -0.32 1.61 2.36 -1.26 -5.12 119.74 118.66 2dn8 s LYS 13 Ca 0.05 -0.15 -0.01 0.00 -2.55 0.00 0.00 55.97 53.31 2dn8 s LYS 13 Cb -0.15 0.02 0.19 0.00 -1.05 0.00 0.00 37.83 36.84 2dn8 s LYS 13 CO 0.01 -0.37 0.80 -2.00 1.55 0.00 0.00 175.35 175.34 2dn8 s GLU 14 N 1.67 0.44 0.02 4.03 2.12 -1.26 -5.16 118.70 120.56 2dn8 s GLU 14 Ca 0.17 0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.68 2dn8 s GLU 14 Cb 0.05 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 2dn8 s GLU 14 CO -0.13 -0.73 -0.06 1.21 -0.54 0.00 0.00 175.26 175.01 2dn8 s ASN 15 N 2.51 0.72 0.00 -1.70 2.47 -1.26 -5.11 114.94 112.57 2dn8 s ASN 15 Ca 0.17 -0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.15 2dn8 s ASN 15 Cb -0.04 -0.02 0.00 0.00 -1.45 0.00 0.00 41.25 39.74 2dn8 s ASN 15 CO -0.19 -0.06 0.00 -0.67 -3.72 0.00 0.00 177.10 172.46 2dn8 n ASP 16 N 2.27 0.00 -2.61 -4.21 2.03 -1.26 -5.04 116.55 107.73 2dn8 n ASP 16 Ca -0.17 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 54.96 2dn8 n ASP 16 Cb 0.57 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.88 2dn8 n ASP 16 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2dn8 n PRO 17 N 0.00 2.06 -0.04 -0.67 -0.04 -1.26 -3.67 135.00 131.38 2dn8 n PRO 17 Ca 0.00 -1.20 -0.06 0.00 -0.04 0.00 0.00 63.50 62.20 2dn8 n PRO 17 Cb 0.00 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.22 2dn8 n PRO 17 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dn8 n THR 18 N 3.20 0.51 -3.31 0.52 -2.24 -1.26 -4.82 114.28 106.88 2dn8 n THR 18 Ca 0.44 -0.20 -0.40 0.00 -2.27 0.00 0.00 64.05 61.62 2dn8 n THR 18 Cb 0.46 -0.82 -0.08 0.00 -2.10 0.00 0.00 70.33 67.79 2dn8 n THR 18 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dn8 s VAL 19 N -2.18 5.10 -0.73 2.28 0.11 -1.24 0.19 120.40 123.93 2dn8 s VAL 19 Ca -0.12 0.57 -0.26 0.00 -2.93 0.00 0.00 61.98 59.24 2dn8 s VAL 19 Cb 0.03 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 2dn8 s VAL 19 CO 0.21 0.03 1.61 -0.76 -3.33 0.00 0.00 175.10 172.86 2dn8 s LEU 20 N 2.22 3.25 0.23 2.54 1.43 -0.34 -4.90 118.68 123.10 2dn8 s LEU 20 Ca 0.17 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 2dn8 s LEU 20 Cb -0.16 -2.55 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 2dn8 s LEU 20 CO 0.11 -2.13 0.51 -0.13 0.23 0.00 0.00 176.35 174.94 2dn8 s ARG 21 N 6.34 3.72 -0.03 1.70 0.52 -1.26 -1.71 118.95 128.24 2dn8 s ARG 21 Ca 0.53 0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 55.58 2dn8 s ARG 21 Cb -0.09 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 2dn8 s ARG 21 CO 0.13 0.32 1.14 0.45 0.02 0.00 0.00 175.30 177.36 2dn8 s SER 22 N -2.57 7.13 0.39 0.23 0.15 -0.40 -4.91 113.70 113.73 2dn8 s SER 22 Ca 0.45 1.79 0.27 0.00 0.70 0.00 0.00 55.95 59.16 2dn8 s SER 22 Cb -0.11 -2.56 0.88 0.00 -1.71 0.00 0.00 66.02 62.51 2dn8 s SER 22 CO 0.24 -0.49 1.78 1.55 1.20 0.00 0.00 173.24 177.52 2dn8 h PRO 23 N 7.17 0.00 -2.26 5.44 0.13 -1.92 -3.02 132.00 137.55 2dn8 h PRO 23 Ca -0.36 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2dn8 h PRO 23 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 2dn8 h PRO 23 CO 0.84 0.00 0.32 0.45 -0.23 0.00 0.00 178.00 179.38 2dn8 s SER 24 N -5.34 -0.53 1.09 1.44 0.15 -1.26 -4.86 113.70 104.40 2dn8 s SER 24 Ca 0.05 0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.91 2dn8 s SER 24 Cb 0.08 0.48 0.24 0.00 -1.71 0.00 0.00 66.02 65.12 2dn8 s SER 24 CO 0.56 -0.67 1.03 0.00 1.20 0.00 0.00 173.24 175.37 2dn8 n ALA 25 N 0.30 -2.26 0.00 5.45 0.00 -1.26 -4.48 120.51 118.25 2dn8 n ALA 25 Ca -0.15 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.31 2dn8 n ALA 25 Cb 0.60 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2dn8 n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dn8 n GLY 26 N 0.80 -0.66 3.08 0.00 0.00 0.46 -4.69 105.19 104.17 2dn8 n GLY 26 Ca 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2dn8 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dn8 s LYS 27 N -1.35 0.47 0.92 1.61 1.02 0.10 -1.47 119.74 121.04 2dn8 s LYS 27 Ca 0.00 0.84 -0.13 0.00 0.02 0.00 0.00 55.97 56.70 2dn8 s LYS 27 Cb 0.00 0.14 0.04 0.00 -0.52 0.00 0.00 37.83 37.49 2dn8 s LYS 27 CO 0.00 -0.60 0.48 -0.11 -0.92 0.00 0.00 175.35 174.20 2dn8 n LEU 28 N 5.40 0.19 0.11 3.17 7.94 -0.90 -0.76 117.00 132.15 2dn8 n LEU 28 Ca -0.03 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 2dn8 n LEU 28 Cb 0.51 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2dn8 n LEU 28 CO 0.04 -3.46 0.00 0.35 -1.11 0.00 0.00 177.39 173.21 2dn8 n THR 29 N -3.52 0.08 -3.82 1.96 -2.24 -1.25 -2.74 114.28 102.75 2dn8 n THR 29 Ca 0.07 0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2dn8 n THR 29 Cb 0.53 -0.48 0.02 0.00 -2.10 0.00 0.00 70.33 68.30 2dn8 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 n GLN 30 N -3.29 0.53 -4.38 -0.78 10.64 -1.26 -3.99 117.38 114.85 2dn8 n GLN 30 Ca 0.00 -1.21 -0.24 0.00 -1.83 0.00 0.00 57.00 53.71 2dn8 n GLN 30 Cb 0.00 1.65 -0.09 0.00 -0.86 0.00 0.00 30.24 30.94 2dn8 n GLN 30 CO 0.00 0.00 0.00 1.52 -1.83 0.00 0.00 177.06 176.75 2dn8 s TYR 31 N -2.76 2.51 -0.90 2.61 -0.85 -1.26 -2.78 117.35 113.93 2dn8 s TYR 31 Ca 0.19 -0.40 0.09 0.00 -0.52 0.00 0.00 57.07 56.43 2dn8 s TYR 31 Cb -0.02 -1.36 0.21 0.00 0.38 0.00 0.00 41.96 41.16 2dn8 s TYR 31 CO 0.04 0.55 1.10 0.25 -1.52 0.00 0.00 175.55 175.97 2dn8 n THR 32 N -0.88 0.72 -4.29 -3.49 -2.24 -0.54 -4.90 114.28 98.66 2dn8 n THR 32 Ca -0.05 -0.86 -0.20 0.00 -2.27 0.00 0.00 64.05 60.68 2dn8 n THR 32 Cb 0.62 0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 69.43 2dn8 n THR 32 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2dn8 s VAL 33 N -0.94 1.56 0.90 2.28 -7.23 -1.25 -4.99 120.40 110.74 2dn8 s VAL 33 Ca 0.17 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 2dn8 s VAL 33 Cb 0.10 -1.69 0.19 0.00 0.56 0.00 0.00 36.38 35.53 2dn8 s VAL 33 CO 0.13 -0.37 1.23 -1.61 -0.31 0.00 0.00 175.10 174.17 2dn8 s GLU 34 N -2.75 0.85 -0.09 4.82 2.02 -1.26 -4.82 118.70 117.47 2dn8 s GLU 34 Ca 0.12 -0.72 -0.39 0.00 0.02 0.00 0.00 54.97 54.01 2dn8 s GLU 34 Cb -0.05 -2.00 -0.17 0.00 0.10 0.00 0.00 34.13 32.01 2dn8 s GLU 34 CO 0.05 -2.18 1.47 -3.47 0.02 0.00 0.00 175.26 171.15 2dn8 n ASP 35 N -3.50 1.73 -3.57 -0.19 2.03 -1.26 0.85 116.55 112.63 2dn8 n ASP 35 Ca 0.16 1.11 -0.27 0.00 0.52 0.00 0.00 54.79 56.32 2dn8 n ASP 35 Cb 0.60 -1.13 0.01 0.00 -0.72 0.00 0.00 41.12 39.88 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dn8 n GLY 36 N 3.11 -0.50 3.73 0.27 0.00 -1.06 -4.86 105.19 105.88 2dn8 n GLY 36 Ca 0.22 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 2dn8 n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dn8 s GLY 37 N -2.98 1.59 -0.19 -0.02 0.00 0.25 -4.59 107.32 101.38 2dn8 s GLY 37 Ca 0.51 1.50 -0.16 0.00 0.00 0.00 0.00 44.72 46.58 2dn8 s GLY 37 CO 0.63 2.69 0.40 -2.38 0.00 0.00 0.00 173.10 174.44 2dn8 s HIS 38 N 0.82 3.39 0.27 1.90 -3.43 -1.26 -0.10 115.29 116.88 2dn8 s HIS 38 Ca 0.70 0.64 0.02 0.00 -0.80 0.00 0.00 55.06 55.61 2dn8 s HIS 38 Cb -0.47 -2.52 -0.01 0.00 -1.43 0.00 0.00 32.58 28.16 2dn8 s HIS 38 CO 0.36 0.02 0.06 1.33 -2.00 0.00 0.00 174.74 174.51 2dn8 n VAL 39 N 4.23 0.00 -4.38 -5.38 0.24 -1.20 -5.00 118.33 106.84 2dn8 n VAL 39 Ca -0.08 -1.42 -0.26 0.00 -2.04 0.00 0.00 64.34 60.53 2dn8 n VAL 39 Cb 0.51 0.43 -0.10 0.00 -1.47 0.00 0.00 33.84 33.21 2dn8 n VAL 39 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2dn8 s GLU 40 N -2.99 1.82 -0.51 7.34 2.02 -1.26 -3.80 118.70 121.33 2dn8 s GLU 40 Ca 0.08 -1.49 -0.27 0.00 0.02 0.00 0.00 54.97 53.31 2dn8 s GLU 40 Cb 0.00 -1.96 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 2dn8 s GLU 40 CO 0.06 0.39 2.15 0.00 0.02 0.00 0.00 175.26 177.87 2dn8 s ALA 41 N -1.97 1.99 0.00 5.21 0.00 -1.26 -0.77 121.76 124.96 2dn8 s ALA 41 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.05 2dn8 s ALA 41 Cb -0.07 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2dn8 s ALA 41 CO 0.14 -4.01 0.00 0.41 0.00 0.00 0.00 175.76 172.30 2dn8 n GLY 42 N 5.83 1.03 1.45 0.00 0.00 -1.26 -4.91 105.19 107.33 2dn8 n GLY 42 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 2dn8 n GLY 42 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn8 n SER 43 N 0.00 0.26 -4.29 1.61 7.64 0.05 -4.90 113.62 113.99 2dn8 n SER 43 Ca 0.00 -1.30 -0.31 0.00 1.01 0.00 0.00 58.87 58.27 2dn8 n SER 43 Cb 0.00 -0.32 -0.16 0.00 -1.01 0.00 0.00 64.21 62.72 2dn8 n SER 43 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dn8 s SER 44 N -2.69 3.09 -0.00 6.43 1.04 -1.26 -3.22 113.70 117.10 2dn8 s SER 44 Ca 0.27 -0.49 0.04 0.00 0.48 0.00 0.00 55.95 56.25 2dn8 s SER 44 Cb -0.01 -0.69 -0.06 0.00 0.10 0.00 0.00 66.02 65.37 2dn8 s SER 44 CO 0.18 0.27 0.15 0.00 0.98 0.00 0.00 173.24 174.82 2dn8 n TYR 45 N 2.77 0.00 -3.75 5.02 0.18 -0.49 -4.78 117.16 116.12 2dn8 n TYR 45 Ca -0.17 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.61 2dn8 n TYR 45 Cb 0.52 -0.04 0.01 0.00 -0.38 0.00 0.00 39.34 39.44 2dn8 n TYR 45 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dn8 n ALA 46 N -1.34 -1.32 -2.39 -3.48 0.00 -1.21 -1.47 120.51 109.30 2dn8 n ALA 46 Ca 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.86 2dn8 n ALA 46 Cb 0.09 0.17 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 2dn8 n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2dn8 s GLU 47 N -2.02 1.75 0.15 0.00 2.02 -1.12 0.16 118.70 119.65 2dn8 s GLU 47 Ca 0.11 -1.95 -0.20 0.00 0.02 0.00 0.00 54.97 52.95 2dn8 s GLU 47 Cb -0.01 0.34 0.05 0.00 0.10 0.00 0.00 34.13 34.62 2dn8 s GLU 47 CO 0.01 -0.66 0.52 0.00 0.02 0.00 0.00 175.26 175.15 2dn8 s MET 48 N -3.41 1.19 -0.24 1.61 0.23 0.78 -3.87 119.30 115.59 2dn8 s MET 48 Ca 0.39 -0.58 0.00 0.00 -1.03 0.00 0.00 55.69 54.47 2dn8 s MET 48 Cb 0.02 0.54 0.03 0.00 -1.53 0.00 0.00 34.83 33.89 2dn8 s MET 48 CO 0.26 -0.50 -0.10 -2.00 -2.03 0.00 0.00 175.02 170.64 2dn8 s GLU 49 N -3.78 2.70 0.02 3.16 2.12 0.06 -0.15 118.70 122.83 2dn8 s GLU 49 Ca 0.02 -1.05 0.02 0.00 0.36 0.00 0.00 54.97 54.32 2dn8 s GLU 49 Cb 0.00 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 2dn8 s GLU 49 CO -0.12 -0.41 -0.07 0.54 -0.54 0.00 0.00 175.26 174.65 2dn8 s VAL 50 N 1.25 0.56 -1.46 3.70 0.11 0.15 0.01 120.40 124.73 2dn8 s VAL 50 Ca -0.01 -0.66 -0.08 0.00 -2.93 0.00 0.00 61.98 58.30 2dn8 s VAL 50 Cb -0.17 -0.54 0.05 0.00 -1.53 0.00 0.00 36.38 34.19 2dn8 s VAL 50 CO -0.06 -0.09 0.79 0.23 -3.33 0.00 0.00 175.10 172.64 2dn8 n MET 51 N 2.24 -4.80 -3.04 1.54 2.81 -1.26 0.08 117.12 114.69 2dn8 n MET 51 Ca -0.17 0.56 -0.21 0.00 -1.81 0.00 0.00 57.70 56.07 2dn8 n MET 51 Cb 0.56 -5.22 0.01 0.00 -0.71 0.00 0.00 33.22 27.86 2dn8 n MET 51 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2dn8 n LYS 52 N -4.49 -3.51 -4.00 0.03 5.02 -1.26 -4.94 118.16 105.01 2dn8 n LYS 52 Ca -0.12 0.64 -0.11 0.00 -2.02 0.00 0.00 58.31 56.70 2dn8 n LYS 52 Cb 0.60 -5.37 -0.12 0.00 -0.02 0.00 0.00 35.03 30.12 2dn8 n LYS 52 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dn8 s MET 53 N -5.69 0.33 -0.14 1.97 -1.94 0.11 -5.14 119.30 108.80 2dn8 s MET 53 Ca 0.28 -0.51 -0.12 0.00 -1.71 0.00 0.00 55.69 53.62 2dn8 s MET 53 Cb -0.14 -0.06 -0.05 0.00 2.01 0.00 0.00 34.83 36.59 2dn8 s MET 53 CO 0.34 0.00 0.25 0.42 -0.01 0.00 0.00 175.02 176.02 2dn8 s ILE 54 N -1.08 5.32 -0.00 2.53 -1.09 -1.26 0.33 121.20 125.95 2dn8 s ILE 54 Ca -0.10 0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.80 2dn8 s ILE 54 Cb -0.08 -3.58 -0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2dn8 s ILE 54 CO -0.00 0.46 -0.05 -0.32 -1.23 0.00 0.00 174.94 173.80 2dn8 s MET 55 N 0.02 0.37 0.47 2.79 -2.45 0.79 -4.98 119.30 116.31 2dn8 s MET 55 Ca 0.16 -0.16 -0.20 0.00 -1.25 0.00 0.00 55.69 54.23 2dn8 s MET 55 Cb -0.13 -0.35 -0.09 0.00 1.25 0.00 0.00 34.83 35.51 2dn8 s MET 55 CO 0.04 0.10 0.99 0.99 1.05 0.00 0.00 175.02 178.19 2dn8 s THR 56 N -0.11 4.15 -0.12 10.11 2.01 -1.26 -0.16 115.64 130.25 2dn8 s THR 56 Ca 0.02 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.28 2dn8 s THR 56 Cb -0.02 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2dn8 s THR 56 CO -0.00 -0.36 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.71 2dn8 s LEU 57 N -3.52 2.92 0.40 4.42 1.43 0.43 -4.82 118.68 119.95 2dn8 s LEU 57 Ca 0.64 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2dn8 s LEU 57 Cb -0.12 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 2dn8 s LEU 57 CO 0.20 0.20 0.16 0.54 0.23 0.00 0.00 176.35 177.68 2dn8 s ASN 58 N 0.13 4.38 0.05 2.29 4.22 -1.26 -1.40 114.94 123.36 2dn8 s ASN 58 Ca -0.05 -1.08 -0.09 0.00 -2.14 0.00 0.00 52.86 49.50 2dn8 s ASN 58 Cb -0.14 -0.49 -0.05 0.00 1.28 0.00 0.00 41.25 41.84 2dn8 s ASN 58 CO 0.04 -0.51 0.36 0.68 -2.04 0.00 0.00 177.10 175.63 2dn8 s VAL 59 N -2.59 5.15 -0.19 3.54 -7.23 -1.20 -4.85 120.40 113.03 2dn8 s VAL 59 Ca 0.40 0.40 0.29 0.00 -1.81 0.00 0.00 61.98 61.26 2dn8 s VAL 59 Cb 0.04 -3.63 0.33 0.00 0.56 0.00 0.00 36.38 33.68 2dn8 s VAL 59 CO 0.22 0.34 1.85 -0.61 -0.31 0.00 0.00 175.10 176.59 2dn8 h GLN 60 N 3.88 0.00 -1.23 4.82 -0.00 -1.95 -3.36 115.11 117.28 2dn8 h GLN 60 Ca -0.50 0.00 0.19 0.00 -0.00 0.00 0.00 58.65 58.34 2dn8 h GLN 60 Cb 1.20 0.00 -0.26 0.00 0.00 0.00 0.00 27.48 28.42 2dn8 h GLN 60 CO 0.66 0.00 0.81 -1.21 0.00 0.00 0.00 178.83 179.09 2dn8 s GLU 61 N -3.49 0.24 0.36 1.69 2.02 -1.26 -4.98 118.70 113.29 2dn8 s GLU 61 Ca 0.03 0.06 -0.16 0.00 0.02 0.00 0.00 54.97 54.92 2dn8 s GLU 61 Cb 0.09 0.11 -0.12 0.00 0.10 0.00 0.00 34.13 34.31 2dn8 s GLU 61 CO 0.49 -0.07 -0.01 2.89 0.02 0.00 0.00 175.26 178.58 2dn8 n ARG 62 N 0.61 0.00 0.00 1.61 1.85 -1.26 -4.73 116.66 114.73 2dn8 n ARG 62 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.81 2dn8 n ARG 62 Cb 0.59 -0.80 0.00 0.00 -1.05 0.00 0.00 32.46 31.19 2dn8 n ARG 62 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dn8 n GLY 63 N 1.94 3.82 3.75 2.89 0.00 -1.25 -4.49 105.19 111.84 2dn8 n GLY 63 Ca 0.08 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 2dn8 n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dn8 s ARG 64 N -2.53 4.47 0.09 1.61 0.52 0.17 -3.26 118.95 120.02 2dn8 s ARG 64 Ca 0.00 1.01 -0.16 0.00 -0.52 0.00 0.00 55.73 56.06 2dn8 s ARG 64 Cb 0.00 -3.37 -0.07 0.00 0.52 0.00 0.00 34.95 32.04 2dn8 s ARG 64 CO 0.00 0.28 0.52 0.08 0.02 0.00 0.00 175.30 176.20 2dn8 s VAL 65 N -0.01 4.85 0.22 3.52 1.01 0.85 -0.09 120.40 130.76 2dn8 s VAL 65 Ca 0.38 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.38 2dn8 s VAL 65 Cb -0.20 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2dn8 s VAL 65 CO 0.22 0.43 -0.09 -0.75 0.00 0.00 0.00 175.10 174.90 2dn8 s LYS 66 N -1.46 1.35 -0.20 2.72 2.20 -0.98 -2.34 119.74 121.02 2dn8 s LYS 66 Ca 0.31 -1.64 -0.17 0.00 -0.36 0.00 0.00 55.97 54.11 2dn8 s LYS 66 Cb -0.17 -0.99 -0.03 0.00 -1.51 0.00 0.00 37.83 35.13 2dn8 s LYS 66 CO 0.18 0.09 0.47 -0.47 -0.36 0.00 0.00 175.35 175.26 2dn8 s TYR 67 N -3.10 3.36 0.16 4.03 5.04 -1.26 -3.35 117.35 122.24 2dn8 s TYR 67 Ca 0.24 0.70 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 2dn8 s TYR 67 Cb 0.02 -2.62 0.00 0.00 0.35 0.00 0.00 41.96 39.71 2dn8 s TYR 67 CO 0.08 -0.08 0.00 -0.89 -1.34 0.00 0.00 175.55 173.31 2dn8 n ILE 68 N 4.52 0.71 -3.12 3.14 5.41 -1.25 -4.96 119.36 123.81 2dn8 n ILE 68 Ca -0.06 0.24 -0.40 0.00 1.00 0.00 0.00 62.75 63.53 2dn8 n ILE 68 Cb 0.51 -1.14 -0.06 0.00 -0.71 0.00 0.00 39.64 38.24 2dn8 n ILE 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2dn8 s LYS 69 N -1.91 4.25 0.53 0.38 -0.14 -0.88 -5.02 119.74 116.95 2dn8 s LYS 69 Ca 0.00 0.64 -0.19 0.00 -1.36 0.00 0.00 55.97 55.06 2dn8 s LYS 69 Cb 0.00 -3.55 -0.10 0.00 -1.68 0.00 0.00 37.83 32.50 2dn8 s LYS 69 CO 0.00 -0.18 0.56 0.54 -0.76 0.00 0.00 175.35 175.51 2dn8 n ARG 70 N 4.82 0.59 -2.41 1.68 3.00 -1.26 -4.86 116.66 118.22 2dn8 n ARG 70 Ca -0.02 0.22 -0.43 0.00 -0.01 0.00 0.00 57.85 57.62 2dn8 n ARG 70 Cb 0.50 -1.68 -0.02 0.00 0.00 0.00 0.00 32.46 31.25 2dn8 n ARG 70 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2dn8 s PRO 71 N -1.97 4.21 0.00 5.56 0.04 -1.26 -2.81 135.00 138.77 2dn8 s PRO 71 Ca 0.67 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2dn8 s PRO 71 Cb -0.49 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2dn8 s PRO 71 CO 0.55 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.27 2dn8 n GLY 72 N 3.67 1.00 3.53 0.56 0.00 -1.11 -4.83 105.19 108.01 2dn8 n GLY 72 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2dn8 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn8 s ALA 73 N -2.00 0.25 -0.36 4.61 0.00 -1.12 -4.67 121.76 118.46 2dn8 s ALA 73 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 51.96 50.95 2dn8 s ALA 73 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2dn8 s ALA 73 CO 0.00 -3.77 0.63 0.54 0.00 0.00 0.00 175.76 173.16 2dn8 s VAL 74 N -2.80 4.89 -0.25 0.00 0.11 -1.26 -2.13 120.40 118.96 2dn8 s VAL 74 Ca 0.70 0.52 -0.25 0.00 -2.93 0.00 0.00 61.98 60.02 2dn8 s VAL 74 Cb -0.12 -4.08 -0.00 0.00 -1.53 0.00 0.00 36.38 30.64 2dn8 s VAL 74 CO 0.57 -0.33 0.84 -0.76 -3.33 0.00 0.00 175.10 172.09 2dn8 s LEU 75 N 2.70 4.08 0.16 2.54 2.01 -0.54 -4.90 118.68 124.72 2dn8 s LEU 75 Ca 0.24 1.00 0.11 0.00 0.01 0.00 0.00 54.13 55.48 2dn8 s LEU 75 Cb -0.14 -3.19 -0.04 0.00 0.01 0.00 0.00 46.19 42.82 2dn8 s LEU 75 CO 0.15 -0.54 -0.24 -1.61 1.01 0.00 0.00 176.35 175.12 2dn8 s GLU 76 N 2.89 1.52 -0.11 1.70 2.02 -1.26 0.17 118.70 125.63 2dn8 s GLU 76 Ca 0.35 -1.41 -0.29 0.00 0.02 0.00 0.00 54.97 53.64 2dn8 s GLU 76 Cb -0.15 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.12 2dn8 s GLU 76 CO 0.08 0.43 1.81 0.00 0.02 0.00 0.00 175.26 177.60 2dn8 s ALA 77 N -1.37 3.35 0.00 5.21 0.00 -1.26 -2.82 121.76 124.87 2dn8 s ALA 77 Ca 0.18 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2dn8 s ALA 77 Cb -0.09 -3.86 0.00 0.00 0.00 0.00 0.00 23.12 19.17 2dn8 s ALA 77 CO 0.09 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.41 2dn8 n GLY 78 N 4.67 0.65 3.32 0.00 0.00 -1.14 -4.94 105.19 107.76 2dn8 n GLY 78 Ca 0.20 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 2dn8 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn8 s VAL 80 N -3.67 5.16 0.06 0.00 0.11 -1.26 -1.28 120.40 119.53 2dn8 s VAL 80 Ca 0.36 0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 2dn8 s VAL 80 Cb 0.06 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 2dn8 s VAL 80 CO 0.16 0.28 0.00 0.52 -3.33 0.00 0.00 175.10 172.73 2dn8 n VAL 81 N 0.86 0.30 -4.22 2.04 0.31 -0.69 -4.87 118.33 112.06 2dn8 n VAL 81 Ca -0.08 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 2dn8 n VAL 81 Cb 0.52 -0.85 -0.04 0.00 -0.91 0.00 0.00 33.84 32.56 2dn8 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dn8 n ALA 82 N -2.88 0.39 -2.53 3.52 0.00 -1.20 -2.06 120.51 115.75 2dn8 n ALA 82 Ca 0.00 -1.17 -0.31 0.00 0.00 0.00 0.00 53.44 51.96 2dn8 n ALA 82 Cb 0.00 0.88 -0.11 0.00 0.00 0.00 0.00 19.45 20.22 2dn8 n ALA 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2dn8 s ARG 83 N -2.84 2.24 -0.32 0.00 6.06 -1.21 -1.20 118.95 121.67 2dn8 s ARG 83 Ca 0.19 -0.91 -0.05 0.00 -2.50 0.00 0.00 55.73 52.45 2dn8 s ARG 83 Cb 0.01 -2.32 0.04 0.00 0.06 0.00 0.00 34.95 32.74 2dn8 s ARG 83 CO 0.13 0.55 0.06 -1.17 -2.50 0.00 0.00 175.30 172.37 2dn8 s LEU 84 N -1.65 4.05 -0.70 -0.88 0.20 0.49 -2.33 118.68 117.86 2dn8 s LEU 84 Ca 0.17 -1.08 -0.20 0.00 0.69 0.00 0.00 54.13 53.71 2dn8 s LEU 84 Cb -0.11 -1.82 0.10 0.00 -0.43 0.00 0.00 46.19 43.94 2dn8 s LEU 84 CO 0.08 -0.27 0.90 -0.70 -0.29 0.00 0.00 176.35 176.08 2dn8 s GLU 85 N 1.38 3.21 -0.28 1.98 2.56 0.87 -4.56 118.70 123.86 2dn8 s GLU 85 Ca -0.02 -1.25 -0.29 0.00 0.00 0.00 0.00 54.97 53.41 2dn8 s GLU 85 Cb -0.19 -4.39 -0.07 0.00 2.00 0.00 0.00 34.13 31.48 2dn8 s GLU 85 CO 0.01 -1.70 2.24 1.28 -0.56 0.00 0.00 175.26 176.53 2dn8 n LEU 86 N 6.87 2.92 0.00 2.70 4.77 -1.26 -0.65 117.00 132.34 2dn8 n LEU 86 Ca 0.01 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 2dn8 n LEU 86 Cb 0.45 -1.49 0.54 0.00 -2.33 0.00 0.00 43.42 40.59 2dn8 n LEU 86 CO 0.58 -0.78 0.89 0.47 -1.33 0.00 0.00 177.39 177.22 2dn8 n ASP 87 N 11.69 0.00 -3.35 -1.43 8.00 -1.26 -4.36 116.55 125.84 2dn8 n ASP 87 Ca 0.33 0.39 -0.13 0.00 0.71 0.00 0.00 54.79 56.09 2dn8 n ASP 87 Cb 0.41 -0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 40.98 2dn8 n ASP 87 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2dn8 s ASP 88 N -2.91 0.96 0.48 -2.24 1.01 -1.26 -4.99 116.67 107.71 2dn8 s ASP 88 Ca 0.14 -0.83 0.28 0.00 0.71 0.00 0.00 52.55 52.86 2dn8 s ASP 88 Cb 0.16 0.79 0.87 0.00 1.01 0.00 0.00 42.92 45.75 2dn8 s ASP 88 CO 0.43 -0.34 1.80 1.55 0.21 0.00 0.00 175.17 178.82 2dn8 h PRO 89 N 7.88 0.00 -1.17 8.23 0.13 -2.00 -3.45 132.00 141.62 2dn8 h PRO 89 Ca -0.06 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.24 2dn8 h PRO 89 Cb 1.09 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.91 2dn8 h PRO 89 CO 0.27 0.00 0.81 0.45 -0.23 0.00 0.00 178.00 179.30 2dn8 s SER 90 N -5.83 -0.12 -0.47 1.44 0.15 -1.26 -5.11 113.70 102.49 2dn8 s SER 90 Ca 0.04 0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.97 2dn8 s SER 90 Cb 0.07 0.24 0.22 0.00 -1.71 0.00 0.00 66.02 64.84 2dn8 s SER 90 CO 0.60 -0.05 0.87 1.17 1.20 0.00 0.00 173.24 177.03 2dn8 n LYS 91 N 1.63 0.54 -2.88 5.44 3.00 -1.26 -5.14 118.16 119.48 2dn8 n LYS 91 Ca -0.10 -1.68 -0.40 0.00 -0.00 0.00 0.00 58.31 56.12 2dn8 n LYS 91 Cb 0.57 -1.19 -0.06 0.00 0.00 0.00 0.00 35.03 34.36 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dn8 s VAL 92 N 0.77 4.38 -0.06 3.15 0.11 -1.26 -4.63 120.40 122.84 2dn8 s VAL 92 Ca 0.30 1.85 -0.05 0.00 -2.93 0.00 0.00 61.98 61.14 2dn8 s VAL 92 Cb 0.11 -4.21 0.02 0.00 -1.53 0.00 0.00 36.38 30.76 2dn8 s VAL 92 CO -0.13 0.46 0.10 1.41 -3.33 0.00 0.00 175.10 173.61 2dn8 n HIS 93 N 1.97 -3.82 -1.53 1.54 -0.00 -1.26 -5.01 115.22 107.11 2dn8 n HIS 93 Ca -0.03 2.25 -0.29 0.00 -0.00 0.00 0.00 57.72 59.65 2dn8 n HIS 93 Cb 0.49 -3.50 0.17 0.00 -0.00 0.00 0.00 29.99 27.14 2dn8 n HIS 93 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2dn8 s PRO 94 N -0.81 0.53 -0.76 -0.41 0.04 -1.26 -5.00 135.00 127.33 2dn8 s PRO 94 Ca -0.12 0.06 -0.14 0.00 0.04 0.00 0.00 61.00 60.85 2dn8 s PRO 94 Cb 0.01 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.96 2dn8 s PRO 94 CO 0.31 -2.57 0.70 0.45 0.04 0.00 0.00 177.00 175.93 2dn8 s SER 95 N -4.20 6.56 0.02 6.66 0.15 -1.26 -4.99 113.70 116.64 2dn8 s SER 95 Ca 0.68 -2.54 -0.28 0.00 0.70 0.00 0.00 55.95 54.51 2dn8 s SER 95 Cb -0.11 -2.19 0.09 0.00 -1.71 0.00 0.00 66.02 62.10 2dn8 s SER 95 CO 0.54 -0.61 0.75 -0.83 1.20 0.00 0.00 173.24 174.29 2dn8 s GLY 96 N 2.32 -0.52 0.66 9.45 0.00 -1.26 -5.17 107.32 112.79 2dn8 s GLY 96 Ca 0.15 1.06 -0.13 0.00 0.00 0.00 0.00 44.72 45.81 2dn8 s GLY 96 CO -0.06 0.54 1.06 2.56 0.00 0.00 0.00 173.10 177.19 2dn8 s PRO 97 N -2.54 3.10 0.33 2.90 0.04 -1.26 -5.08 135.00 132.49 2dn8 s PRO 97 Ca -0.02 1.03 0.09 0.00 0.04 0.00 0.00 61.00 62.15 2dn8 s PRO 97 Cb -0.01 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2dn8 s PRO 97 CO -0.04 -0.98 0.01 -1.54 0.04 0.00 0.00 177.00 174.50 2dn8 s SER 98 N -3.45 4.25 -0.20 6.66 1.04 -1.26 -5.15 113.70 115.59 2dn8 s SER 98 Ca 0.60 -0.93 -0.27 0.00 0.48 0.00 0.00 55.95 55.83 2dn8 s SER 98 Cb -0.14 -0.58 0.08 0.00 0.10 0.00 0.00 66.02 65.48 2dn8 s SER 98 CO 0.48 -0.20 0.78 -0.94 0.98 0.00 0.00 173.24 174.34 2dn8 s SER 99 N -3.71 -0.64 0.00 7.02 1.04 -1.26 -5.35 113.70 110.79 2dn8 s SER 99 Ca 0.34 1.06 0.20 0.00 0.48 0.00 0.00 55.95 58.03 2dn8 s SER 99 Cb -0.01 1.01 0.16 0.00 0.10 0.00 0.00 66.02 67.27 2dn8 s SER 99 CO 0.20 -0.35 1.13 0.61 0.98 0.00 0.00 173.24 175.81