#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 -1.62 -4.27 1.61 3.41 -1.26 -5.14 113.62 106.35 2dn8 n SER 2 Ca 0.00 0.60 -0.37 0.00 -0.26 0.00 0.00 58.87 58.84 2dn8 n SER 2 Cb 0.00 1.77 0.04 0.00 -0.26 0.00 0.00 64.21 65.76 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 -3.07 -3.34 0.00 4.04 7.64 -1.26 -4.99 113.62 112.63 2dn8 n SER 3 Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2dn8 n SER 3 Cb 0.00 -0.97 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 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 2.43 5.37 3.65 0.23 0.00 -1.26 -5.19 105.19 110.42 2dn8 n GLY 4 Ca 0.06 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 2dn8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn8 s SER 5 N 1.00 -0.26 -0.02 1.61 0.01 -1.26 -5.17 113.70 109.61 2dn8 s SER 5 Ca 0.00 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.71 2dn8 s SER 5 Cb 0.00 0.64 0.01 0.00 0.21 0.00 0.00 66.02 66.87 2dn8 s SER 5 CO 0.00 -1.17 -0.07 -0.94 0.41 0.00 0.00 173.24 171.47 2dn8 s SER 6 N -2.91 0.98 -0.03 2.44 1.04 -1.26 -5.10 113.70 108.85 2dn8 s SER 6 Ca 0.11 -0.15 -0.36 0.00 0.48 0.00 0.00 55.95 56.04 2dn8 s SER 6 Cb -0.03 -0.27 -0.14 0.00 0.10 0.00 0.00 66.02 65.67 2dn8 s SER 6 CO 0.02 0.04 1.65 0.61 0.98 0.00 0.00 173.24 176.54 2dn8 n GLY 7 N 3.37 1.01 3.74 7.32 0.00 -1.26 -4.94 105.19 114.42 2dn8 n GLY 7 Ca -0.19 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 2dn8 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dn8 s THR 8 N 2.36 1.95 -0.13 2.61 2.01 -1.26 -4.92 115.64 118.25 2dn8 s THR 8 Ca 0.89 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.60 2dn8 s THR 8 Cb -0.84 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 2dn8 s THR 8 CO 0.50 0.00 1.77 0.00 -0.69 0.00 0.00 174.62 176.20 2dn8 s VAL 10 N 5.20 0.00 0.81 0.00 -7.23 -1.26 -5.16 120.40 112.76 2dn8 s VAL 10 Ca 0.79 -1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 59.16 2dn8 s VAL 10 Cb -0.31 -2.46 0.08 0.00 0.56 0.00 0.00 36.38 34.25 2dn8 s VAL 10 CO 0.32 0.00 1.12 -0.36 -0.31 0.00 0.00 175.10 175.87 2dn8 s PHE 11 N -3.67 2.19 -1.07 2.82 0.40 -1.26 -4.87 117.98 112.52 2dn8 s PHE 11 Ca 0.31 1.65 -0.22 0.00 -0.60 0.00 0.00 56.93 58.06 2dn8 s PHE 11 Cb 0.02 -3.20 -0.00 0.00 0.51 0.00 0.00 43.02 40.35 2dn8 s PHE 11 CO 0.15 -2.22 1.75 -2.00 0.70 0.00 0.00 175.22 173.60 2dn8 s GLU 12 N -4.67 3.13 0.41 0.44 2.12 -1.26 -4.90 118.70 113.98 2dn8 s GLU 12 Ca 0.65 -1.03 0.03 0.00 0.36 0.00 0.00 54.97 54.98 2dn8 s GLU 12 Cb -0.20 -5.28 -0.03 0.00 0.26 0.00 0.00 34.13 28.88 2dn8 s GLU 12 CO 0.55 -2.92 0.09 0.15 -0.54 0.00 0.00 175.26 172.58 2dn8 s LYS 13 N 5.76 1.93 -0.43 4.30 -0.14 -1.26 -5.11 119.74 124.78 2dn8 s LYS 13 Ca 0.59 -2.17 0.07 0.00 -1.36 0.00 0.00 55.97 53.10 2dn8 s LYS 13 Cb -0.01 -0.87 0.24 0.00 -1.68 0.00 0.00 37.83 35.51 2dn8 s LYS 13 CO 0.01 -0.39 0.67 -1.91 -0.76 0.00 0.00 175.35 172.97 2dn8 n GLU 14 N -0.94 0.71 0.02 1.68 2.13 -1.26 -4.97 120.64 118.01 2dn8 n GLU 14 Ca -0.08 -2.59 0.00 0.00 0.66 0.00 0.00 57.16 55.16 2dn8 n GLU 14 Cb 0.66 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 31.03 2dn8 n GLU 14 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2dn8 n ASN 15 N 1.60 0.17 -2.44 4.31 6.94 -1.26 -5.13 115.26 119.44 2dn8 n ASN 15 Ca 0.16 0.06 -0.02 0.00 -0.02 0.00 0.00 54.58 54.77 2dn8 n ASN 15 Cb 0.57 -0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 37.95 2dn8 n ASN 15 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2dn8 n ASP 16 N -2.74 -6.58 0.00 0.53 9.92 -1.26 -4.79 116.55 111.63 2dn8 n ASP 16 Ca 0.00 1.71 0.11 0.00 -0.53 0.00 0.00 54.79 56.09 2dn8 n ASP 16 Cb 0.00 -5.24 0.63 0.00 -0.64 0.00 0.00 41.12 35.87 2dn8 n ASP 16 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2dn8 n PRO 17 N 1.82 0.51 -2.25 -0.24 -0.04 -1.26 -3.43 135.00 130.11 2dn8 n PRO 17 Ca -0.14 0.04 -0.35 0.00 -0.04 0.00 0.00 63.50 63.01 2dn8 n PRO 17 Cb 0.22 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.16 3.43 -3.71 0.52 -2.24 -1.26 -4.90 114.28 104.95 2dn8 n THR 18 Ca 0.14 -4.77 -0.27 0.00 -2.27 0.00 0.00 64.05 56.87 2dn8 n THR 18 Cb 0.14 -1.29 -0.17 0.00 -2.10 0.00 0.00 70.33 66.91 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 -5.11 0.41 -0.84 2.28 0.11 -1.22 -3.68 120.40 112.34 2dn8 s VAL 19 Ca 0.49 -0.48 -0.23 0.00 -2.93 0.00 0.00 61.98 58.84 2dn8 s VAL 19 Cb 0.39 -0.94 0.07 0.00 -1.53 0.00 0.00 36.38 34.37 2dn8 s VAL 19 CO -0.30 -0.22 1.19 -0.76 -3.33 0.00 0.00 175.10 171.69 2dn8 s LEU 20 N 1.91 4.08 0.37 2.54 1.43 -1.02 -4.98 118.68 123.01 2dn8 s LEU 20 Ca -0.00 -1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 51.82 2dn8 s LEU 20 Cb -0.17 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 2dn8 s LEU 20 CO -0.08 -1.44 0.59 -0.13 0.23 0.00 0.00 176.35 175.52 2dn8 s ARG 21 N 4.28 3.51 -0.25 1.70 0.52 -1.26 -1.52 118.95 125.94 2dn8 s ARG 21 Ca 0.33 -0.20 -0.26 0.00 -0.52 0.00 0.00 55.73 55.08 2dn8 s ARG 21 Cb -0.08 -2.61 0.00 0.00 0.52 0.00 0.00 34.95 32.79 2dn8 s ARG 21 CO 0.01 0.09 0.92 0.45 0.02 0.00 0.00 175.30 176.79 2dn8 s SER 22 N -3.96 6.93 0.14 0.23 0.15 -0.94 -4.89 113.70 111.36 2dn8 s SER 22 Ca 0.42 1.13 0.24 0.00 0.70 0.00 0.00 55.95 58.44 2dn8 s SER 22 Cb -0.10 -2.48 0.91 0.00 -1.71 0.00 0.00 66.02 62.65 2dn8 s SER 22 CO 0.37 -0.61 1.73 -0.81 1.20 0.00 0.00 173.24 175.12 2dn8 n PRO 23 N 6.21 0.14 -3.59 5.44 -0.04 -1.26 -2.91 135.00 138.98 2dn8 n PRO 23 Ca 0.08 0.24 -0.10 0.00 -0.04 0.00 0.00 63.50 63.68 2dn8 n PRO 23 Cb 0.47 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 2dn8 n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dn8 s SER 24 N -3.82 -0.40 0.98 3.54 0.15 -1.26 -4.94 113.70 107.95 2dn8 s SER 24 Ca 0.09 0.55 -0.11 0.00 0.70 0.00 0.00 55.95 57.18 2dn8 s SER 24 Cb 0.12 0.48 0.15 0.00 -1.71 0.00 0.00 66.02 65.07 2dn8 s SER 24 CO 0.46 -0.29 0.92 0.00 1.20 0.00 0.00 173.24 175.52 2dn8 n ALA 25 N 1.19 -1.72 0.00 5.45 0.00 -1.26 -4.64 120.51 119.53 2dn8 n ALA 25 Ca -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2dn8 n ALA 25 Cb 0.57 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 0.74 -0.81 3.44 0.00 0.00 0.36 -4.61 105.19 104.30 2dn8 n GLY 26 Ca 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 2dn8 n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dn8 s LYS 27 N -0.80 0.45 0.73 1.61 2.20 0.52 -1.63 119.74 122.81 2dn8 s LYS 27 Ca 0.00 1.23 -0.15 0.00 -0.36 0.00 0.00 55.97 56.69 2dn8 s LYS 27 Cb 0.00 0.58 0.04 0.00 -1.51 0.00 0.00 37.83 36.94 2dn8 s LYS 27 CO 0.00 -0.24 1.18 -1.17 -0.36 0.00 0.00 175.35 174.77 2dn8 s LEU 28 N 2.75 3.29 0.02 5.43 2.96 -1.05 -0.53 118.68 131.55 2dn8 s LEU 28 Ca -0.03 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.14 2dn8 s LEU 28 Cb -0.12 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 41.99 2dn8 s LEU 28 CO -0.16 -2.20 0.00 0.35 -1.32 0.00 0.00 176.35 173.02 2dn8 n THR 29 N -2.78 0.02 -3.55 3.68 -2.24 -1.26 -3.45 114.28 104.70 2dn8 n THR 29 Ca 0.13 0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.87 2dn8 n THR 29 Cb 0.51 -0.24 0.02 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.59 0.59 -3.94 -0.78 10.64 -1.26 -4.35 117.38 115.69 2dn8 n GLN 30 Ca 0.00 -1.19 -0.24 0.00 -1.83 0.00 0.00 57.00 53.74 2dn8 n GLN 30 Cb 0.00 1.52 -0.05 0.00 -0.86 0.00 0.00 30.24 30.85 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 -4.53 2.39 0.00 2.61 -0.85 -1.26 -3.04 117.35 112.67 2dn8 s TYR 31 Ca 0.11 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 2dn8 s TYR 31 Cb -0.03 -2.00 0.00 0.00 0.38 0.00 0.00 41.96 40.31 2dn8 s TYR 31 CO 0.06 -0.05 0.82 0.25 -1.52 0.00 0.00 175.55 175.11 2dn8 n THR 32 N -1.45 0.64 -4.52 -3.49 -2.24 -0.38 -4.87 114.28 97.98 2dn8 n THR 32 Ca -0.01 -0.82 -0.24 0.00 -2.27 0.00 0.00 64.05 60.72 2dn8 n THR 32 Cb 0.64 0.68 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.64 1.75 0.67 2.28 -7.23 -1.26 -4.97 120.40 111.00 2dn8 s VAL 33 Ca 0.00 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2dn8 s VAL 33 Cb 0.00 -2.76 0.12 0.00 0.56 0.00 0.00 36.38 34.30 2dn8 s VAL 33 CO 0.00 -0.11 0.92 -1.61 -0.31 0.00 0.00 175.10 173.99 2dn8 s GLU 34 N -3.74 1.91 0.06 4.82 0.41 -1.26 -4.89 118.70 116.01 2dn8 s GLU 34 Ca 0.34 -1.51 -0.37 0.00 -0.41 0.00 0.00 54.97 53.02 2dn8 s GLU 34 Cb 0.07 -2.50 -0.19 0.00 -1.78 0.00 0.00 34.13 29.74 2dn8 s GLU 34 CO 0.16 -1.23 1.06 -3.47 -0.49 0.00 0.00 175.26 171.29 2dn8 n ASP 35 N -2.57 0.29 -4.36 -0.19 2.03 -1.26 0.10 116.55 110.59 2dn8 n ASP 35 Ca 0.17 1.15 -0.39 0.00 0.52 0.00 0.00 54.79 56.23 2dn8 n ASP 35 Cb 0.61 -1.01 -0.05 0.00 -0.72 0.00 0.00 41.12 39.96 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 1.80 -0.43 3.77 0.27 0.00 -1.25 -4.83 105.19 104.52 2dn8 n GLY 36 Ca 0.19 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.28 2.93 -0.07 -0.02 0.00 0.29 -4.68 107.32 102.49 2dn8 s GLY 37 Ca 0.78 1.47 0.01 0.00 0.00 0.00 0.00 44.72 46.98 2dn8 s GLY 37 CO 0.97 2.11 -0.07 -1.58 0.00 0.00 0.00 173.10 174.53 2dn8 s HIS 38 N -1.17 2.94 0.26 1.90 2.46 -1.26 0.14 115.29 120.56 2dn8 s HIS 38 Ca 0.57 0.03 -0.05 0.00 0.47 0.00 0.00 55.06 56.08 2dn8 s HIS 38 Cb -0.44 -1.71 -0.02 0.00 -0.13 0.00 0.00 32.58 30.28 2dn8 s HIS 38 CO 0.58 0.34 0.34 0.14 -2.47 0.00 0.00 174.74 173.67 2dn8 s VAL 39 N -0.81 0.00 0.21 0.89 -7.23 -0.65 -4.99 120.40 107.82 2dn8 s VAL 39 Ca 0.12 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 58.65 2dn8 s VAL 39 Cb -0.11 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2dn8 s VAL 39 CO 0.01 0.00 0.24 -1.83 -0.31 0.00 0.00 175.10 173.21 2dn8 s GLU 40 N -3.79 3.13 -0.73 4.82 -1.05 -1.26 -1.99 118.70 117.84 2dn8 s GLU 40 Ca 0.31 -0.87 -0.26 0.00 -0.15 0.00 0.00 54.97 54.01 2dn8 s GLU 40 Cb 0.02 -2.73 -0.08 0.00 -0.44 0.00 0.00 34.13 30.91 2dn8 s GLU 40 CO 0.14 0.45 2.17 0.00 0.95 0.00 0.00 175.26 178.97 2dn8 s ALA 41 N -1.95 1.44 0.00 -0.84 0.00 -1.26 -1.07 121.76 118.07 2dn8 s ALA 41 Ca 0.33 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2dn8 s ALA 41 Cb -0.09 -4.47 0.00 0.00 0.00 0.00 0.00 23.12 18.56 2dn8 s ALA 41 CO 0.26 -4.93 0.00 0.41 0.00 0.00 0.00 175.76 171.50 2dn8 n GLY 42 N 6.45 0.76 2.78 0.00 0.00 -1.23 -4.89 105.19 109.06 2dn8 n GLY 42 Ca 0.38 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 2dn8 n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn8 n SER 43 N 0.00 -0.17 -4.27 1.61 2.88 -0.24 -4.88 113.62 108.55 2dn8 n SER 43 Ca 0.00 -1.30 -0.32 0.00 -1.33 0.00 0.00 58.87 55.92 2dn8 n SER 43 Cb 0.00 -0.74 -0.16 0.00 -0.75 0.00 0.00 64.21 62.56 2dn8 n SER 43 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dn8 s SER 44 N -4.43 3.22 0.00 -3.46 1.04 -1.26 -3.26 113.70 105.55 2dn8 s SER 44 Ca 0.55 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.50 2dn8 s SER 44 Cb -0.02 -1.10 -0.02 0.00 0.10 0.00 0.00 66.02 64.99 2dn8 s SER 44 CO 0.39 0.22 0.16 0.00 0.98 0.00 0.00 173.24 174.98 2dn8 n TYR 45 N 3.15 0.00 -3.76 5.02 0.18 0.04 -4.74 117.16 117.04 2dn8 n TYR 45 Ca -0.18 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.58 2dn8 n TYR 45 Cb 0.52 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.50 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 -0.87 -1.84 -4.17 -3.48 0.00 -1.15 -1.25 120.51 107.75 2dn8 n ALA 46 Ca 0.01 -0.67 -0.20 0.00 0.00 0.00 0.00 53.44 52.57 2dn8 n ALA 46 Cb 0.03 0.36 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 2dn8 n ALA 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dn8 n GLU 47 N -0.49 0.50 -3.54 0.00 1.02 -1.17 0.18 120.64 117.13 2dn8 n GLU 47 Ca -0.01 -3.11 -0.15 0.00 -0.02 0.00 0.00 57.16 53.87 2dn8 n GLU 47 Cb 0.39 2.68 -0.06 0.00 -0.02 0.00 0.00 31.44 34.43 2dn8 n GLU 47 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dn8 s MET 48 N -3.15 0.91 -0.33 3.49 0.23 0.20 -4.07 119.30 116.58 2dn8 s MET 48 Ca 0.36 0.21 -0.08 0.00 -1.03 0.00 0.00 55.69 55.15 2dn8 s MET 48 Cb 0.01 0.43 0.02 0.00 -1.53 0.00 0.00 34.83 33.76 2dn8 s MET 48 CO 0.25 -0.29 0.12 -2.00 -2.03 0.00 0.00 175.02 171.08 2dn8 s GLU 49 N -1.21 2.86 -0.01 3.16 2.12 0.31 0.12 118.70 126.05 2dn8 s GLU 49 Ca -0.08 -1.02 0.03 0.00 0.36 0.00 0.00 54.97 54.27 2dn8 s GLU 49 Cb -0.00 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2dn8 s GLU 49 CO 0.07 -0.58 -0.11 0.54 -0.54 0.00 0.00 175.26 174.64 2dn8 s VAL 50 N 1.48 0.87 -1.44 3.70 0.11 0.30 -0.35 120.40 125.06 2dn8 s VAL 50 Ca 0.01 -0.50 -0.10 0.00 -2.93 0.00 0.00 61.98 58.46 2dn8 s VAL 50 Cb -0.18 -0.74 0.06 0.00 -1.53 0.00 0.00 36.38 33.99 2dn8 s VAL 50 CO 0.04 0.23 0.72 0.23 -3.33 0.00 0.00 175.10 172.99 2dn8 n MET 51 N 2.76 -4.63 -1.82 1.54 2.81 -1.26 0.88 117.12 117.39 2dn8 n MET 51 Ca -0.14 0.62 -0.16 0.00 -1.81 0.00 0.00 57.70 56.21 2dn8 n MET 51 Cb 0.56 -5.44 -0.04 0.00 -0.71 0.00 0.00 33.22 27.58 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 -4.20 -1.21 -4.77 0.03 5.02 -1.26 -4.98 118.16 106.80 2dn8 n LYS 52 Ca -0.01 0.96 -0.24 0.00 -2.02 0.00 0.00 58.31 57.00 2dn8 n LYS 52 Cb 0.55 -5.25 -0.15 0.00 -0.02 0.00 0.00 35.03 30.16 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 -3.98 1.34 -0.33 1.97 -1.94 0.25 -5.11 119.30 111.51 2dn8 s MET 53 Ca 0.00 -0.58 -0.18 0.00 -1.71 0.00 0.00 55.69 53.22 2dn8 s MET 53 Cb 0.00 -1.29 -0.01 0.00 2.01 0.00 0.00 34.83 35.55 2dn8 s MET 53 CO 0.00 0.34 0.54 0.42 -0.01 0.00 0.00 175.02 176.31 2dn8 s ILE 54 N -0.34 5.00 -0.05 2.53 -1.09 -1.26 0.11 121.20 126.11 2dn8 s ILE 54 Ca 0.05 0.52 0.05 0.00 -2.23 0.00 0.00 60.65 59.04 2dn8 s ILE 54 Cb -0.07 -3.95 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 2dn8 s ILE 54 CO -0.00 -0.16 -0.17 -0.04 -1.23 0.00 0.00 174.94 173.33 2dn8 s MET 55 N 2.44 2.45 0.32 2.79 -1.94 0.33 -4.94 119.30 120.74 2dn8 s MET 55 Ca 0.20 -0.76 -0.24 0.00 -1.71 0.00 0.00 55.69 53.19 2dn8 s MET 55 Cb -0.15 -2.30 -0.10 0.00 2.01 0.00 0.00 34.83 34.29 2dn8 s MET 55 CO 0.13 0.58 0.90 0.99 -0.01 0.00 0.00 175.02 177.61 2dn8 s THR 56 N -0.64 4.33 -0.15 2.05 2.01 -1.26 0.63 115.64 122.60 2dn8 s THR 56 Ca 0.10 1.63 -0.04 0.00 0.31 0.00 0.00 61.69 63.69 2dn8 s THR 56 Cb -0.11 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.47 2dn8 s THR 56 CO 0.00 0.07 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.23 2dn8 s LEU 57 N -2.26 3.43 0.36 4.42 1.43 0.47 -4.87 118.68 121.66 2dn8 s LEU 57 Ca 0.51 -0.04 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 2dn8 s LEU 57 Cb -0.16 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.17 2dn8 s LEU 57 CO 0.21 0.20 0.04 0.54 0.23 0.00 0.00 176.35 177.56 2dn8 s ASN 58 N 0.22 4.19 0.09 2.29 2.20 -1.25 -0.78 114.94 121.89 2dn8 s ASN 58 Ca -0.00 -1.04 -0.19 0.00 -0.94 0.00 0.00 52.86 50.69 2dn8 s ASN 58 Cb -0.13 -0.51 -0.07 0.00 -2.00 0.00 0.00 41.25 38.54 2dn8 s ASN 58 CO 0.02 -0.30 0.58 0.68 -2.94 0.00 0.00 177.10 175.14 2dn8 s VAL 59 N -2.55 4.72 0.19 3.54 -7.23 -1.20 -4.88 120.40 112.99 2dn8 s VAL 59 Ca 0.36 1.20 0.19 0.00 -1.81 0.00 0.00 61.98 61.93 2dn8 s VAL 59 Cb 0.01 -3.89 0.15 0.00 0.56 0.00 0.00 36.38 33.21 2dn8 s VAL 59 CO 0.20 0.51 1.77 1.56 -0.31 0.00 0.00 175.10 178.82 2dn8 h GLN 60 N 4.38 0.00 -2.32 4.82 4.20 -1.95 -3.27 115.11 120.96 2dn8 h GLN 60 Ca -0.49 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.17 2dn8 h GLN 60 Cb 1.21 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.75 2dn8 h GLN 60 CO 0.64 0.34 -0.15 -1.21 -0.67 0.00 0.00 178.83 177.78 2dn8 s GLU 61 N -3.68 0.54 0.38 1.46 2.02 -1.26 -4.90 118.70 113.26 2dn8 s GLU 61 Ca -0.00 1.02 -0.16 0.00 0.02 0.00 0.00 54.97 55.85 2dn8 s GLU 61 Cb 0.11 0.09 -0.13 0.00 0.10 0.00 0.00 34.13 34.31 2dn8 s GLU 61 CO 0.68 -0.16 -0.03 2.89 0.02 0.00 0.00 175.26 178.66 2dn8 n ARG 62 N 4.37 0.00 0.00 1.61 1.85 -1.26 -4.72 116.66 118.50 2dn8 n ARG 62 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 2dn8 n ARG 62 Cb 0.57 -0.82 0.00 0.00 -1.05 0.00 0.00 32.46 31.15 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 2.00 -0.51 3.01 2.89 0.00 -0.84 -4.76 105.19 106.98 2dn8 n GLY 63 Ca 0.08 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.93 1.45 0.24 1.61 0.52 -0.58 -1.63 118.95 118.63 2dn8 s ARG 64 Ca 0.00 -0.37 -0.22 0.00 -0.52 0.00 0.00 55.73 54.62 2dn8 s ARG 64 Cb 0.00 -1.25 -0.09 0.00 0.52 0.00 0.00 34.95 34.14 2dn8 s ARG 64 CO 0.00 0.05 0.79 0.08 0.02 0.00 0.00 175.30 176.24 2dn8 s VAL 65 N 0.55 4.44 0.14 3.52 1.01 0.12 -1.12 120.40 129.07 2dn8 s VAL 65 Ca -0.11 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.39 2dn8 s VAL 65 Cb -0.14 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2dn8 s VAL 65 CO 0.03 0.25 -0.04 -0.75 0.00 0.00 0.00 175.10 174.59 2dn8 s LYS 66 N -1.83 1.00 -0.16 2.72 2.20 -0.87 -3.57 119.74 119.24 2dn8 s LYS 66 Ca 0.43 -1.45 -0.20 0.00 -0.36 0.00 0.00 55.97 54.40 2dn8 s LYS 66 Cb -0.18 -0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 35.78 2dn8 s LYS 66 CO 0.23 -0.05 0.57 -0.47 -0.36 0.00 0.00 175.35 175.27 2dn8 s TYR 67 N -3.58 3.44 0.00 4.03 5.04 -1.26 -3.47 117.35 121.55 2dn8 s TYR 67 Ca 0.18 0.93 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 2dn8 s TYR 67 Cb 0.05 -2.70 0.00 0.00 0.35 0.00 0.00 41.96 39.66 2dn8 s TYR 67 CO 0.00 -0.03 0.00 -0.89 -1.34 0.00 0.00 175.55 173.30 2dn8 n ILE 68 N 4.25 0.00 -3.26 3.14 2.08 -1.25 -4.87 119.36 119.45 2dn8 n ILE 68 Ca -0.04 0.00 -0.38 0.00 0.56 0.00 0.00 62.75 62.89 2dn8 n ILE 68 Cb 0.51 -0.91 -0.06 0.00 -0.75 0.00 0.00 39.64 38.42 2dn8 n ILE 68 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 2dn8 s LYS 69 N -0.94 4.29 0.56 0.38 -0.14 -0.99 -5.03 119.74 117.87 2dn8 s LYS 69 Ca 0.00 0.62 -0.20 0.00 -1.36 0.00 0.00 55.97 55.04 2dn8 s LYS 69 Cb 0.00 -3.36 -0.07 0.00 -1.68 0.00 0.00 37.83 32.72 2dn8 s LYS 69 CO 0.00 0.32 0.90 0.54 -0.76 0.00 0.00 175.35 176.35 2dn8 n ARG 70 N 2.98 0.93 -2.45 1.68 1.74 -1.26 -4.90 116.66 115.39 2dn8 n ARG 70 Ca -0.07 0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 56.94 2dn8 n ARG 70 Cb 0.51 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 2dn8 n ARG 70 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dn8 s PRO 71 N -2.48 4.38 0.00 5.56 0.04 -1.26 -3.23 135.00 138.02 2dn8 s PRO 71 Ca 0.72 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2dn8 s PRO 71 Cb -0.45 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.60 2dn8 s PRO 71 CO 0.50 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.58 2dn8 n GLY 72 N 3.31 1.12 3.85 0.56 0.00 -1.22 -4.95 105.19 107.87 2dn8 n GLY 72 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 1.91 -0.36 4.61 0.00 -1.20 -4.83 121.76 119.89 2dn8 s ALA 73 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 2dn8 s ALA 73 Cb 0.00 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 2dn8 s ALA 73 CO 0.00 -2.60 0.37 0.54 0.00 0.00 0.00 175.76 174.07 2dn8 s VAL 74 N -3.65 5.16 -0.37 0.00 0.11 -1.26 -2.54 120.40 117.84 2dn8 s VAL 74 Ca 0.72 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 59.42 2dn8 s VAL 74 Cb -0.06 -3.87 0.00 0.00 -1.53 0.00 0.00 36.38 30.92 2dn8 s VAL 74 CO 0.53 -0.17 1.41 -0.76 -3.33 0.00 0.00 175.10 172.79 2dn8 s LEU 75 N 2.03 3.67 0.07 2.54 2.01 -0.65 -4.92 118.68 123.43 2dn8 s LEU 75 Ca 0.12 0.99 0.03 0.00 0.01 0.00 0.00 54.13 55.27 2dn8 s LEU 75 Cb -0.17 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.45 2dn8 s LEU 75 CO 0.12 -1.35 0.08 -0.70 1.01 0.00 0.00 176.35 175.51 2dn8 s GLU 76 N 4.76 2.89 -0.30 1.70 -6.30 -1.26 0.14 118.70 120.32 2dn8 s GLU 76 Ca 0.61 -0.67 -0.29 0.00 -2.50 0.00 0.00 54.97 52.13 2dn8 s GLU 76 Cb -0.15 -2.74 -0.02 0.00 0.00 0.00 0.00 34.13 31.22 2dn8 s GLU 76 CO 0.30 0.58 1.71 0.00 0.02 0.00 0.00 175.26 177.87 2dn8 s ALA 77 N -1.36 3.01 0.00 6.30 0.00 -1.26 -2.91 121.76 125.54 2dn8 s ALA 77 Ca 0.28 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2dn8 s ALA 77 Cb -0.12 -3.96 0.00 0.00 0.00 0.00 0.00 23.12 19.04 2dn8 s ALA 77 CO 0.21 -2.40 0.00 0.41 0.00 0.00 0.00 175.76 173.98 2dn8 n GLY 78 N 5.17 0.52 0.69 0.00 0.00 -1.15 -4.96 105.19 105.48 2dn8 n GLY 78 Ca 0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.93 4.42 0.07 0.00 0.11 -1.26 -2.21 120.40 119.60 2dn8 s VAL 80 Ca 0.05 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2dn8 s VAL 80 Cb 0.00 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.81 2dn8 s VAL 80 CO 0.04 0.28 0.00 0.52 -3.33 0.00 0.00 175.10 172.60 2dn8 n VAL 81 N 1.00 0.54 -4.12 2.04 0.31 -0.57 -4.81 118.33 112.72 2dn8 n VAL 81 Ca -0.12 0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.26 2dn8 n VAL 81 Cb 0.52 -1.12 -0.05 0.00 -0.91 0.00 0.00 33.84 32.28 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 -3.03 0.30 -2.36 3.52 0.00 -1.22 -2.34 120.51 115.37 2dn8 n ALA 82 Ca 0.00 -1.31 -0.29 0.00 0.00 0.00 0.00 53.44 51.84 2dn8 n ALA 82 Cb 0.00 1.06 -0.15 0.00 0.00 0.00 0.00 19.45 20.36 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 1.78 -0.17 0.00 6.06 -1.23 -2.45 118.95 120.11 2dn8 s ARG 83 Ca 0.26 -1.04 -0.08 0.00 -2.50 0.00 0.00 55.73 52.36 2dn8 s ARG 83 Cb 0.01 -1.90 -0.04 0.00 0.06 0.00 0.00 34.95 33.07 2dn8 s ARG 83 CO 0.18 0.50 0.12 -1.17 -2.50 0.00 0.00 175.30 172.43 2dn8 s LEU 84 N -1.10 4.20 -0.34 -0.88 1.98 -1.24 -2.05 118.68 119.25 2dn8 s LEU 84 Ca 0.11 0.29 0.03 0.00 -2.89 0.00 0.00 54.13 51.67 2dn8 s LEU 84 Cb -0.10 -2.06 0.10 0.00 0.66 0.00 0.00 46.19 44.79 2dn8 s LEU 84 CO 0.01 0.27 0.06 -0.70 -1.89 0.00 0.00 176.35 174.10 2dn8 s GLU 85 N -0.16 1.38 -0.32 1.98 2.12 -0.27 -4.76 118.70 118.67 2dn8 s GLU 85 Ca 0.10 -1.77 -0.28 0.00 0.36 0.00 0.00 54.97 53.37 2dn8 s GLU 85 Cb -0.11 -3.05 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 2dn8 s GLU 85 CO 0.00 -0.95 1.85 -0.51 -0.54 0.00 0.00 175.26 175.12 2dn8 s LEU 86 N 0.99 3.50 0.00 2.70 1.43 -1.26 -1.53 118.68 124.51 2dn8 s LEU 86 Ca 0.11 1.37 0.30 0.00 -1.03 0.00 0.00 54.13 54.88 2dn8 s LEU 86 Cb -0.19 -3.51 1.58 0.00 0.03 0.00 0.00 46.19 44.11 2dn8 s LEU 86 CO -0.10 -1.74 2.07 -0.67 0.23 0.00 0.00 176.35 176.14 2dn8 n ASP 87 N 10.46 0.00 -3.15 2.29 -0.08 -1.26 -4.49 116.55 120.32 2dn8 n ASP 87 Ca 0.24 -0.30 0.04 0.00 -1.51 0.00 0.00 54.79 53.25 2dn8 n ASP 87 Cb 0.47 -0.23 -0.00 0.00 2.34 0.00 0.00 41.12 43.69 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2dn8 s ASP 88 N -2.46 -1.59 1.09 1.67 -1.08 -1.26 -5.17 116.67 107.87 2dn8 s ASP 88 Ca 0.32 0.26 -0.14 0.00 -0.52 0.00 0.00 52.55 52.48 2dn8 s ASP 88 Cb 0.20 2.04 0.19 0.00 -1.46 0.00 0.00 42.92 43.90 2dn8 s ASP 88 CO 0.44 -0.29 0.89 -0.81 0.52 0.00 0.00 175.17 175.91 2dn8 n PRO 89 N 5.42 -1.74 -3.73 4.34 -0.04 -1.26 -5.03 135.00 132.95 2dn8 n PRO 89 Ca 0.04 -1.39 -0.38 0.00 -0.04 0.00 0.00 63.50 61.74 2dn8 n PRO 89 Cb 0.54 -1.09 -0.11 0.00 -0.04 0.00 0.00 33.50 32.79 2dn8 n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dn8 s SER 90 N -4.11 5.33 -0.50 3.54 0.15 -1.26 -5.02 113.70 111.83 2dn8 s SER 90 Ca 0.53 -1.61 0.04 0.00 0.70 0.00 0.00 55.95 55.61 2dn8 s SER 90 Cb -0.03 -1.87 0.13 0.00 -1.71 0.00 0.00 66.02 62.54 2dn8 s SER 90 CO 0.39 -0.47 0.25 -0.75 1.20 0.00 0.00 173.24 173.86 2dn8 s LYS 91 N 1.29 1.83 0.59 5.44 2.20 -1.26 -5.10 119.74 124.73 2dn8 s LYS 91 Ca 0.03 -2.49 -0.06 0.00 -0.36 0.00 0.00 55.97 53.09 2dn8 s LYS 91 Cb -0.22 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2dn8 s LYS 91 CO -0.01 -1.12 0.90 0.14 -0.36 0.00 0.00 175.35 174.91 2dn8 s VAL 92 N -0.14 3.76 -0.06 4.02 -7.23 -1.26 -5.09 120.40 114.39 2dn8 s VAL 92 Ca 0.17 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.41 2dn8 s VAL 92 Cb -0.26 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.21 2dn8 s VAL 92 CO -0.00 -0.51 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.17 2dn8 s HIS 93 N -2.99 1.30 0.06 2.82 3.76 -1.26 -5.12 115.29 113.86 2dn8 s HIS 93 Ca 0.54 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.70 2dn8 s HIS 93 Cb -0.11 -0.96 -0.05 0.00 1.11 0.00 0.00 32.58 32.57 2dn8 s HIS 93 CO 0.45 -0.24 1.17 -1.25 -0.85 0.00 0.00 174.74 174.02 2dn8 s PRO 94 N 0.62 4.46 0.58 8.40 0.04 -1.26 -4.99 135.00 142.85 2dn8 s PRO 94 Ca -0.12 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.44 2dn8 s PRO 94 Cb -0.15 -3.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 2dn8 s PRO 94 CO 0.03 -0.21 1.18 0.45 0.04 0.00 0.00 177.00 178.49 2dn8 n SER 95 N 3.82 1.78 0.00 6.66 2.88 -1.26 -5.01 113.62 122.50 2dn8 n SER 95 Ca 0.08 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 2dn8 n SER 95 Cb 0.47 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 2dn8 n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn8 n GLY 96 N 1.01 0.53 2.70 0.46 0.00 -1.26 -4.46 105.19 104.18 2dn8 n GLY 96 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2dn8 n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dn8 n PRO 97 N 0.00 2.46 -3.62 1.61 -0.04 -1.26 -4.73 135.00 129.42 2dn8 n PRO 97 Ca 0.00 -1.99 -0.07 0.00 -0.04 0.00 0.00 63.50 61.40 2dn8 n PRO 97 Cb 0.00 -2.85 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 2dn8 n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dn8 s SER 98 N 3.51 -0.24 0.25 3.54 0.15 -1.26 -5.09 113.70 114.56 2dn8 s SER 98 Ca 0.53 0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2dn8 s SER 98 Cb 0.14 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dn8 s SER 98 CO -0.01 -0.16 0.00 -0.24 1.20 0.00 0.00 173.24 174.03 2dn8 n SER 99 N 1.20 -0.26 0.00 5.45 2.88 -1.26 -4.65 113.62 116.98 2dn8 n SER 99 Ca -0.08 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 2dn8 n SER 99 Cb 0.57 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42