#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn8 s SER 2 N 0.00 4.84 0.00 1.61 1.04 -1.26 -5.14 113.70 114.79 2dn8 s SER 2 Ca 0.00 -0.48 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 2dn8 s SER 2 Cb 0.00 -1.02 -0.00 0.00 0.10 0.00 0.00 66.02 65.09 2dn8 s SER 2 CO 0.00 0.02 0.07 -0.44 0.98 0.00 0.00 173.24 173.87 2dn8 s SER 3 N -3.51 0.07 0.00 7.02 0.01 -1.26 -5.16 113.70 110.88 2dn8 s SER 3 Ca 0.31 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2dn8 s SER 3 Cb -0.08 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.32 2dn8 s SER 3 CO 0.21 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2dn8 n GLY 4 N 1.84 -2.32 2.54 3.44 0.00 -1.26 -4.99 105.19 104.44 2dn8 n GLY 4 Ca -0.21 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.76 3.22 -0.29 1.61 0.15 -1.26 -5.08 113.70 110.29 2dn8 s SER 5 Ca 0.00 -2.26 -0.15 0.00 0.70 0.00 0.00 55.95 54.24 2dn8 s SER 5 Cb 0.00 -0.59 0.10 0.00 -1.71 0.00 0.00 66.02 63.82 2dn8 s SER 5 CO 0.00 -0.31 0.75 -0.44 1.20 0.00 0.00 173.24 174.45 2dn8 s SER 6 N 0.93 -0.88 0.00 5.45 0.01 -1.26 -5.14 113.70 112.81 2dn8 s SER 6 Ca 0.17 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.80 2dn8 s SER 6 Cb -0.23 1.51 0.00 0.00 0.21 0.00 0.00 66.02 67.50 2dn8 s SER 6 CO -0.01 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2dn8 n GLY 7 N 4.40 0.04 2.75 3.44 0.00 -1.26 -4.87 105.19 109.69 2dn8 n GLY 7 Ca -0.18 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 2dn8 n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dn8 n THR 8 N 0.58 4.24 -0.03 2.61 -2.24 -1.26 -4.71 114.28 113.47 2dn8 n THR 8 Ca 0.00 -5.68 -0.04 0.00 -2.27 0.00 0.00 64.05 56.06 2dn8 n THR 8 Cb 0.00 -1.94 -0.01 0.00 -2.10 0.00 0.00 70.33 66.28 2dn8 n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 n VAL 10 N -3.67-11.20 -3.65 0.00 0.31 -1.26 -5.09 118.33 93.77 2dn8 n VAL 10 Ca -0.07 2.40 0.01 0.00 -0.01 0.00 0.00 64.34 66.67 2dn8 n VAL 10 Cb 0.25 -5.83 -0.06 0.00 -0.91 0.00 0.00 33.84 27.29 2dn8 n VAL 10 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2dn8 s PHE 11 N -0.52 -0.14 -0.30 3.52 2.19 -1.26 -5.16 117.98 116.31 2dn8 s PHE 11 Ca -0.15 0.29 -0.11 0.00 0.33 0.00 0.00 56.93 57.30 2dn8 s PHE 11 Cb 0.01 0.12 0.17 0.00 -1.31 0.00 0.00 43.02 42.01 2dn8 s PHE 11 CO 0.41 -0.07 0.85 -2.00 1.83 0.00 0.00 175.22 176.23 2dn8 s GLU 12 N 1.00 0.39 0.15 10.12 2.12 -1.26 -5.17 118.70 126.05 2dn8 s GLU 12 Ca -0.07 0.86 -0.25 0.00 0.36 0.00 0.00 54.97 55.88 2dn8 s GLU 12 Cb -0.03 0.51 0.06 0.00 0.26 0.00 0.00 34.13 34.93 2dn8 s GLU 12 CO -0.11 -0.26 0.89 -1.59 -0.54 0.00 0.00 175.26 173.65 2dn8 s LYS 13 N 2.73 1.24 0.06 4.30 0.00 -1.26 -5.19 119.74 121.63 2dn8 s LYS 13 Ca 0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 55.97 55.33 2dn8 s LYS 13 Cb -0.10 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 38.14 2dn8 s LYS 13 CO -0.17 -0.57 -0.01 -1.21 0.00 0.00 0.00 175.35 173.40 2dn8 s GLU 14 N -3.40 0.65 -0.30 1.78 2.02 -1.26 -5.13 118.70 113.06 2dn8 s GLU 14 Ca 0.10 -1.22 -0.02 0.00 0.02 0.00 0.00 54.97 53.85 2dn8 s GLU 14 Cb -0.02 0.22 0.10 0.00 0.10 0.00 0.00 34.13 34.53 2dn8 s GLU 14 CO 0.00 -0.13 0.12 -0.80 0.02 0.00 0.00 175.26 174.46 2dn8 s ASN 15 N -2.93 3.81 -0.35 -0.19 -0.87 -1.26 -5.02 114.94 108.12 2dn8 s ASN 15 Ca 0.08 -1.52 -0.05 0.00 -1.57 0.00 0.00 52.86 49.80 2dn8 s ASN 15 Cb 0.08 -0.65 0.19 0.00 -0.02 0.00 0.00 41.25 40.85 2dn8 s ASN 15 CO -0.09 -0.42 0.97 1.51 -2.57 0.00 0.00 177.10 176.50 2dn8 s ASP 16 N 1.79 -0.58 -0.54 -1.22 1.47 -1.26 -5.04 116.67 111.29 2dn8 s ASP 16 Ca 0.10 -0.40 -0.06 0.00 1.18 0.00 0.00 52.55 53.37 2dn8 s ASP 16 Cb -0.17 0.75 -0.14 0.00 -0.34 0.00 0.00 42.92 43.02 2dn8 s ASP 16 CO -0.29 -0.05 2.68 -0.81 0.68 0.00 0.00 175.17 177.38 2dn8 n PRO 17 N 3.52 2.06 0.00 2.11 -0.04 -1.26 -3.78 135.00 137.61 2dn8 n PRO 17 Ca 0.08 -1.20 0.05 0.00 -0.04 0.00 0.00 63.50 62.39 2dn8 n PRO 17 Cb 0.62 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.87 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 0.00 -3.98 0.52 -2.24 -1.26 -4.78 114.28 105.74 2dn8 n THR 18 Ca 0.44 -0.36 -0.27 0.00 -2.27 0.00 0.00 64.05 61.59 2dn8 n THR 18 Cb 0.46 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 69.60 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 -1.51 1.05 -0.95 2.28 0.11 -1.25 -0.20 120.40 119.93 2dn8 s VAL 19 Ca 0.07 -0.32 -0.20 0.00 -2.93 0.00 0.00 61.98 58.60 2dn8 s VAL 19 Cb 0.08 -1.06 0.11 0.00 -1.53 0.00 0.00 36.38 33.98 2dn8 s VAL 19 CO 0.29 0.37 1.21 -0.76 -3.33 0.00 0.00 175.10 172.88 2dn8 s LEU 20 N 1.59 4.64 0.70 2.54 1.43 -0.88 -4.93 118.68 123.77 2dn8 s LEU 20 Ca 0.03 -1.88 -0.10 0.00 -1.03 0.00 0.00 54.13 51.15 2dn8 s LEU 20 Cb -0.13 -2.44 0.03 0.00 0.03 0.00 0.00 46.19 43.67 2dn8 s LEU 20 CO -0.07 -1.18 1.07 -0.13 0.23 0.00 0.00 176.35 176.26 2dn8 s ARG 21 N 3.30 2.68 -0.37 1.70 0.52 -1.26 -2.95 118.95 122.57 2dn8 s ARG 21 Ca 0.36 0.26 -0.26 0.00 -0.52 0.00 0.00 55.73 55.57 2dn8 s ARG 21 Cb -0.04 -2.07 0.02 0.00 0.52 0.00 0.00 34.95 33.38 2dn8 s ARG 21 CO -0.10 -1.08 0.93 0.45 0.02 0.00 0.00 175.30 175.53 2dn8 s SER 22 N -4.40 6.67 0.00 0.23 0.15 0.11 -4.88 113.70 111.58 2dn8 s SER 22 Ca 0.58 0.57 0.22 0.00 0.70 0.00 0.00 55.95 58.02 2dn8 s SER 22 Cb -0.11 -2.46 1.08 0.00 -1.71 0.00 0.00 66.02 62.82 2dn8 s SER 22 CO 0.49 -0.87 1.73 -0.81 1.20 0.00 0.00 173.24 174.98 2dn8 n PRO 23 N 6.79 0.23 -3.56 5.44 -0.04 -1.26 -1.18 135.00 141.43 2dn8 n PRO 23 Ca 0.07 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2dn8 n PRO 23 Cb 0.48 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.70 -0.33 1.17 3.54 0.15 -1.26 -4.87 113.70 109.40 2dn8 s SER 24 Ca 0.18 0.20 -0.14 0.00 0.70 0.00 0.00 55.95 56.89 2dn8 s SER 24 Cb 0.15 0.30 0.28 0.00 -1.71 0.00 0.00 66.02 65.04 2dn8 s SER 24 CO 0.36 -0.42 1.03 0.00 1.20 0.00 0.00 173.24 175.42 2dn8 s ALA 25 N -1.97 -0.18 0.00 5.45 0.00 -1.26 -4.43 121.76 119.37 2dn8 s ALA 25 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2dn8 s ALA 25 Cb -0.01 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2dn8 s ALA 25 CO -0.03 -3.74 0.00 0.41 0.00 0.00 0.00 175.76 172.40 2dn8 n GLY 26 N 0.30 -0.50 3.56 0.00 0.00 0.26 -4.62 105.19 104.17 2dn8 n GLY 26 Ca 0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.96 0.54 0.68 1.61 2.20 0.12 -2.19 119.74 120.75 2dn8 s LYS 27 Ca 0.00 1.32 -0.16 0.00 -0.36 0.00 0.00 55.97 56.77 2dn8 s LYS 27 Cb 0.00 0.63 0.01 0.00 -1.51 0.00 0.00 37.83 36.97 2dn8 s LYS 27 CO 0.00 -0.20 1.18 -1.17 -0.36 0.00 0.00 175.35 174.80 2dn8 s LEU 28 N 2.60 3.41 0.01 5.43 2.96 -1.00 -0.45 118.68 131.64 2dn8 s LEU 28 Ca -0.06 2.27 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 2dn8 s LEU 28 Cb -0.11 -4.58 0.00 0.00 0.50 0.00 0.00 46.19 42.00 2dn8 s LEU 28 CO -0.18 -1.96 0.00 0.35 -1.32 0.00 0.00 176.35 173.24 2dn8 n THR 29 N -2.41 0.03 -3.77 3.68 -2.24 -1.26 -3.94 114.28 104.38 2dn8 n THR 29 Ca 0.13 0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.88 2dn8 n THR 29 Cb 0.51 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.21 2dn8 n THR 29 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dn8 s GLN 30 N -1.05 1.25 0.32 -0.78 -2.07 -1.26 -4.20 119.66 111.87 2dn8 s GLN 30 Ca 0.00 -0.69 0.06 0.00 -1.82 0.00 0.00 55.36 52.91 2dn8 s GLN 30 Cb 0.00 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.33 2dn8 s GLN 30 CO 0.00 -0.57 0.44 0.71 -1.32 0.00 0.00 175.29 174.55 2dn8 s TYR 31 N -3.33 3.13 0.00 9.60 2.02 -1.26 -3.37 117.35 124.14 2dn8 s TYR 31 Ca 0.12 -0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2dn8 s TYR 31 Cb -0.02 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2dn8 s TYR 31 CO 0.03 0.06 0.72 0.25 -1.57 0.00 0.00 175.55 175.04 2dn8 n THR 32 N -1.59 0.45 -4.44 -0.71 -2.24 -0.68 -4.95 114.28 100.12 2dn8 n THR 32 Ca -0.01 -0.71 -0.24 0.00 -2.27 0.00 0.00 64.05 60.81 2dn8 n THR 32 Cb 0.58 0.79 -0.11 0.00 -2.10 0.00 0.00 70.33 69.50 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 -0.45 2.36 0.66 2.28 -7.23 -1.25 -5.01 120.40 111.76 2dn8 s VAL 33 Ca 0.00 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 57.88 2dn8 s VAL 33 Cb 0.00 -2.21 0.08 0.00 0.56 0.00 0.00 36.38 34.81 2dn8 s VAL 33 CO 0.00 -0.33 0.93 -1.61 -0.31 0.00 0.00 175.10 173.77 2dn8 s GLU 34 N -3.26 2.07 0.03 4.82 2.02 -1.26 -4.87 118.70 118.26 2dn8 s GLU 34 Ca 0.26 -0.78 -0.39 0.00 0.02 0.00 0.00 54.97 54.08 2dn8 s GLU 34 Cb -0.06 -2.34 -0.19 0.00 0.10 0.00 0.00 34.13 31.65 2dn8 s GLU 34 CO 0.13 -1.16 1.16 -3.47 0.02 0.00 0.00 175.26 171.93 2dn8 n ASP 35 N -2.70 0.52 -3.58 -0.19 2.03 -1.26 0.14 116.55 111.51 2dn8 n ASP 35 Ca 0.11 1.15 -0.27 0.00 0.52 0.00 0.00 54.79 56.30 2dn8 n ASP 35 Cb 0.60 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 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 1.83 -0.49 3.72 0.27 0.00 -1.19 -4.85 105.19 104.48 2dn8 n GLY 36 Ca 0.19 0.12 -0.42 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 -2.92 1.36 -0.17 -0.02 0.00 0.36 -4.65 107.32 101.29 2dn8 s GLY 37 Ca 0.50 1.48 -0.16 0.00 0.00 0.00 0.00 44.72 46.55 2dn8 s GLY 37 CO 0.61 2.81 0.38 -2.38 0.00 0.00 0.00 173.10 174.52 2dn8 s HIS 38 N 1.34 3.43 0.38 1.90 -3.43 -1.26 0.13 115.29 117.78 2dn8 s HIS 38 Ca 0.73 0.66 0.04 0.00 -0.80 0.00 0.00 55.06 55.69 2dn8 s HIS 38 Cb -0.47 -2.47 -0.04 0.00 -1.43 0.00 0.00 32.58 28.17 2dn8 s HIS 38 CO 0.32 0.10 0.11 0.14 -2.00 0.00 0.00 174.74 173.41 2dn8 s VAL 39 N 0.92 0.74 0.19 -5.38 -7.23 -1.18 -4.99 120.40 103.47 2dn8 s VAL 39 Ca 0.20 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.43 2dn8 s VAL 39 Cb -0.14 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2dn8 s VAL 39 CO 0.07 0.00 0.08 -1.83 -0.31 0.00 0.00 175.10 173.11 2dn8 s GLU 40 N -3.78 2.67 -0.71 4.82 -1.05 -1.26 -3.35 118.70 116.04 2dn8 s GLU 40 Ca 0.28 -1.03 -0.26 0.00 -0.15 0.00 0.00 54.97 53.81 2dn8 s GLU 40 Cb 0.04 -2.49 -0.06 0.00 -0.44 0.00 0.00 34.13 31.18 2dn8 s GLU 40 CO 0.15 0.45 2.11 0.00 0.95 0.00 0.00 175.26 178.92 2dn8 s ALA 41 N -1.84 1.60 0.00 -0.84 0.00 -1.26 -0.87 121.76 118.54 2dn8 s ALA 41 Ca 0.30 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2dn8 s ALA 41 Cb -0.09 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.58 2dn8 s ALA 41 CO 0.22 -4.71 0.00 0.41 0.00 0.00 0.00 175.76 171.67 2dn8 n GLY 42 N 6.33 0.77 1.58 0.00 0.00 -1.15 -4.88 105.19 107.85 2dn8 n GLY 42 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 0.16 -4.14 1.61 7.64 -0.05 -4.84 113.62 113.99 2dn8 n SER 43 Ca 0.00 -1.26 -0.27 0.00 1.01 0.00 0.00 58.87 58.35 2dn8 n SER 43 Cb 0.00 -0.38 -0.16 0.00 -1.01 0.00 0.00 64.21 62.65 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 -2.92 2.33 -0.00 6.43 1.04 -1.26 -3.02 113.70 116.30 2dn8 s SER 44 Ca 0.30 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.38 2dn8 s SER 44 Cb -0.01 -0.80 -0.05 0.00 0.10 0.00 0.00 66.02 65.26 2dn8 s SER 44 CO 0.21 0.14 0.17 0.00 0.98 0.00 0.00 173.24 174.73 2dn8 n TYR 45 N 3.32 0.00 -3.84 5.02 0.18 -0.59 -4.84 117.16 116.41 2dn8 n TYR 45 Ca -0.19 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.55 2dn8 n TYR 45 Cb 0.53 -0.01 0.01 0.00 -0.38 0.00 0.00 39.34 39.49 2dn8 n TYR 45 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dn8 s ALA 46 N -1.46 -1.46 0.35 -3.48 0.00 -1.19 -1.69 121.76 112.83 2dn8 s ALA 46 Ca 0.01 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.73 2dn8 s ALA 46 Cb 0.03 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2dn8 s ALA 46 CO 0.17 -1.05 0.20 -1.21 0.00 0.00 0.00 175.76 173.87 2dn8 s GLU 47 N -2.49 1.79 0.19 0.00 8.01 -1.22 0.18 118.70 125.17 2dn8 s GLU 47 Ca 0.18 -2.06 -0.19 0.00 0.01 0.00 0.00 54.97 52.91 2dn8 s GLU 47 Cb -0.03 -0.08 0.04 0.00 -4.31 0.00 0.00 34.13 29.75 2dn8 s GLU 47 CO 0.06 -0.55 0.56 0.00 0.01 0.00 0.00 175.26 175.33 2dn8 s MET 48 N -3.62 1.37 -0.27 1.61 0.23 0.29 -3.99 119.30 114.92 2dn8 s MET 48 Ca 0.33 -0.75 0.02 0.00 -1.03 0.00 0.00 55.69 54.26 2dn8 s MET 48 Cb 0.03 0.55 0.07 0.00 -1.53 0.00 0.00 34.83 33.95 2dn8 s MET 48 CO 0.21 -0.59 -0.03 -2.00 -2.03 0.00 0.00 175.02 170.58 2dn8 s GLU 49 N -3.84 1.63 -0.01 3.16 2.12 0.41 0.11 118.70 122.28 2dn8 s GLU 49 Ca 0.06 -1.28 0.04 0.00 0.36 0.00 0.00 54.97 54.16 2dn8 s GLU 49 Cb -0.01 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.63 2dn8 s GLU 49 CO -0.05 -0.71 -0.14 0.54 -0.54 0.00 0.00 175.26 174.35 2dn8 s VAL 50 N 1.24 1.12 -1.52 3.70 0.11 0.18 -0.70 120.40 124.52 2dn8 s VAL 50 Ca -0.01 -0.63 -0.06 0.00 -2.93 0.00 0.00 61.98 58.36 2dn8 s VAL 50 Cb -0.19 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2dn8 s VAL 50 CO -0.08 0.30 0.63 0.23 -3.33 0.00 0.00 175.10 172.85 2dn8 n MET 51 N 2.69 -4.91 -1.51 1.54 2.81 -1.26 -0.15 117.12 116.33 2dn8 n MET 51 Ca -0.14 0.86 -0.16 0.00 -1.81 0.00 0.00 57.70 56.44 2dn8 n MET 51 Cb 0.55 -5.72 -0.07 0.00 -0.71 0.00 0.00 33.22 27.28 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 -4.06 -1.15 -4.98 0.03 5.02 -1.26 -4.97 118.16 106.79 2dn8 n LYS 52 Ca -0.09 1.07 -0.27 0.00 -2.02 0.00 0.00 58.31 57.00 2dn8 n LYS 52 Cb 0.61 -5.27 -0.15 0.00 -0.02 0.00 0.00 35.03 30.19 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 -3.44 1.65 -0.34 1.97 -1.94 0.79 -5.11 119.30 112.88 2dn8 s MET 53 Ca 0.00 -0.76 -0.19 0.00 -1.71 0.00 0.00 55.69 53.03 2dn8 s MET 53 Cb 0.00 -1.61 -0.00 0.00 2.01 0.00 0.00 34.83 35.23 2dn8 s MET 53 CO 0.00 0.44 0.58 0.42 -0.01 0.00 0.00 175.02 176.45 2dn8 s ILE 54 N -0.52 4.96 -0.02 2.53 -1.09 -1.26 0.48 121.20 126.28 2dn8 s ILE 54 Ca 0.08 0.56 0.06 0.00 -2.23 0.00 0.00 60.65 59.12 2dn8 s ILE 54 Cb -0.08 -4.01 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 2dn8 s ILE 54 CO -0.01 -0.22 -0.19 -0.32 -1.23 0.00 0.00 174.94 172.98 2dn8 s MET 55 N 2.55 2.30 0.30 2.79 -2.45 0.30 -4.95 119.30 120.14 2dn8 s MET 55 Ca 0.22 -0.82 -0.21 0.00 -1.25 0.00 0.00 55.69 53.63 2dn8 s MET 55 Cb -0.15 -2.24 -0.09 0.00 1.25 0.00 0.00 34.83 33.60 2dn8 s MET 55 CO 0.13 0.59 0.83 0.99 1.05 0.00 0.00 175.02 178.61 2dn8 s THR 56 N -0.73 4.44 -0.22 10.11 2.01 -1.26 0.10 115.64 130.10 2dn8 s THR 56 Ca 0.12 1.44 -0.07 0.00 0.31 0.00 0.00 61.69 63.48 2dn8 s THR 56 Cb -0.10 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2dn8 s THR 56 CO 0.01 0.05 0.07 -0.76 -0.69 0.00 0.00 174.62 173.30 2dn8 s LEU 57 N -2.32 3.63 0.40 4.42 1.43 0.49 -4.85 118.68 121.87 2dn8 s LEU 57 Ca 0.50 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.61 2dn8 s LEU 57 Cb -0.15 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.06 2dn8 s LEU 57 CO 0.20 0.06 0.07 0.54 0.23 0.00 0.00 176.35 177.46 2dn8 s ASN 58 N 1.02 4.14 -0.02 2.29 2.20 -1.25 -1.54 114.94 121.78 2dn8 s ASN 58 Ca 0.04 -1.18 -0.07 0.00 -0.94 0.00 0.00 52.86 50.71 2dn8 s ASN 58 Cb -0.14 -0.45 -0.05 0.00 -2.00 0.00 0.00 41.25 38.61 2dn8 s ASN 58 CO 0.03 -0.44 0.24 0.68 -2.94 0.00 0.00 177.10 174.68 2dn8 s VAL 59 N -2.63 5.34 -0.22 3.54 -7.23 -1.17 -4.93 120.40 113.11 2dn8 s VAL 59 Ca 0.37 0.19 0.17 0.00 -1.81 0.00 0.00 61.98 60.90 2dn8 s VAL 59 Cb 0.05 -3.54 0.12 0.00 0.56 0.00 0.00 36.38 33.57 2dn8 s VAL 59 CO 0.20 0.43 1.45 1.56 -0.31 0.00 0.00 175.10 178.43 2dn8 h GLN 60 N 4.23 0.00 -2.85 4.82 1.08 -1.94 -3.05 115.11 117.40 2dn8 h GLN 60 Ca -0.51 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 56.54 2dn8 h GLN 60 Cb 1.20 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 28.37 2dn8 h GLN 60 CO 0.64 0.37 -0.36 -1.21 -0.95 0.00 0.00 178.83 177.32 2dn8 s GLU 61 N -3.02 0.33 0.42 1.46 0.41 -1.26 -4.88 118.70 112.17 2dn8 s GLU 61 Ca 0.04 0.61 -0.14 0.00 -0.41 0.00 0.00 54.97 55.07 2dn8 s GLU 61 Cb 0.07 0.01 -0.12 0.00 -1.78 0.00 0.00 34.13 32.31 2dn8 s GLU 61 CO 0.73 -0.12 -0.13 2.89 -0.49 0.00 0.00 175.26 178.14 2dn8 n ARG 62 N 3.82 0.00 0.00 1.61 0.00 -1.26 -4.72 116.66 116.11 2dn8 n ARG 62 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.64 2dn8 n ARG 62 Cb 0.55 -0.80 0.00 0.00 -0.00 0.00 0.00 32.46 32.21 2dn8 n ARG 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dn8 n GLY 63 N 2.05 3.49 3.79 2.89 0.00 -1.21 -4.53 105.19 111.67 2dn8 n GLY 63 Ca 0.06 -1.15 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.33 4.46 0.17 1.61 0.52 -0.89 -3.08 118.95 119.41 2dn8 s ARG 64 Ca 0.00 1.05 -0.17 0.00 -0.52 0.00 0.00 55.73 56.09 2dn8 s ARG 64 Cb 0.00 -3.21 -0.07 0.00 0.52 0.00 0.00 34.95 32.19 2dn8 s ARG 64 CO 0.00 0.56 0.62 0.08 0.02 0.00 0.00 175.30 176.58 2dn8 s VAL 65 N -1.19 4.72 0.20 3.52 1.01 0.12 -1.23 120.40 127.55 2dn8 s VAL 65 Ca 0.36 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.49 2dn8 s VAL 65 Cb -0.22 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2dn8 s VAL 65 CO 0.24 0.28 -0.15 -0.54 0.00 0.00 0.00 175.10 174.94 2dn8 s LYS 66 N -1.83 1.33 -0.28 2.72 -0.14 -1.05 -3.03 119.74 117.45 2dn8 s LYS 66 Ca 0.38 -1.58 -0.21 0.00 -1.36 0.00 0.00 55.97 53.21 2dn8 s LYS 66 Cb -0.16 -1.12 -0.01 0.00 -1.68 0.00 0.00 37.83 34.85 2dn8 s LYS 66 CO 0.20 0.19 0.64 -0.47 -0.76 0.00 0.00 175.35 175.15 2dn8 s TYR 67 N -2.95 3.24 0.00 3.18 5.04 -1.26 -3.30 117.35 121.31 2dn8 s TYR 67 Ca 0.22 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 2dn8 s TYR 67 Cb -0.01 -2.94 0.00 0.00 0.35 0.00 0.00 41.96 39.36 2dn8 s TYR 67 CO 0.07 -0.41 0.00 -0.89 -1.34 0.00 0.00 175.55 172.97 2dn8 n ILE 68 N 5.31 0.00 -3.24 3.14 2.08 -1.25 -4.92 119.36 120.49 2dn8 n ILE 68 Ca -0.00 0.05 -0.39 0.00 0.56 0.00 0.00 62.75 62.97 2dn8 n ILE 68 Cb 0.49 -0.95 -0.06 0.00 -0.75 0.00 0.00 39.64 38.37 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 -0.78 4.30 0.76 0.38 -0.14 -1.02 -5.04 119.74 118.20 2dn8 s LYS 69 Ca 0.00 0.66 -0.14 0.00 -1.36 0.00 0.00 55.97 55.13 2dn8 s LYS 69 Cb 0.00 -3.36 0.05 0.00 -1.68 0.00 0.00 37.83 32.84 2dn8 s LYS 69 CO 0.00 0.32 1.21 0.50 -0.76 0.00 0.00 175.35 176.63 2dn8 s ARG 70 N -0.01 1.95 0.01 1.68 3.52 -1.26 -4.94 118.95 119.90 2dn8 s ARG 70 Ca 0.30 1.77 -0.30 0.00 -0.13 0.00 0.00 55.73 57.37 2dn8 s ARG 70 Cb -0.17 -1.81 -0.04 0.00 -1.56 0.00 0.00 34.95 31.36 2dn8 s ARG 70 CO 0.16 -1.98 1.19 -1.25 -0.81 0.00 0.00 175.30 172.60 2dn8 s PRO 71 N -3.98 4.41 0.00 5.12 0.04 -1.26 -3.45 135.00 135.88 2dn8 s PRO 71 Ca 0.74 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.49 2dn8 s PRO 71 Cb -0.29 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2dn8 s PRO 71 CO 0.47 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.60 2dn8 n GLY 72 N 3.26 1.44 3.95 0.56 0.00 -1.25 -4.98 105.19 108.15 2dn8 n GLY 72 Ca 0.10 0.00 -0.25 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 3.21 -0.23 4.61 0.00 -1.22 -4.91 121.76 121.21 2dn8 s ALA 73 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 2dn8 s ALA 73 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 2dn8 s ALA 73 CO 0.00 -1.43 0.43 0.54 0.00 0.00 0.00 175.76 175.30 2dn8 s VAL 74 N -3.27 5.15 -0.13 0.00 0.11 -1.26 -2.38 120.40 118.62 2dn8 s VAL 74 Ca 0.63 0.75 -0.26 0.00 -2.93 0.00 0.00 61.98 60.17 2dn8 s VAL 74 Cb -0.09 -3.76 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 2dn8 s VAL 74 CO 0.45 0.18 0.85 -0.76 -3.33 0.00 0.00 175.10 172.50 2dn8 s LEU 75 N 1.75 4.22 0.13 2.54 2.01 -0.93 -4.88 118.68 123.51 2dn8 s LEU 75 Ca 0.19 1.27 0.07 0.00 0.01 0.00 0.00 54.13 55.67 2dn8 s LEU 75 Cb -0.15 -3.29 -0.04 0.00 0.01 0.00 0.00 46.19 42.72 2dn8 s LEU 75 CO 0.09 -0.36 -0.16 -1.61 1.01 0.00 0.00 176.35 175.32 2dn8 s GLU 76 N 1.86 1.08 0.18 1.70 2.02 -1.26 -0.58 118.70 123.71 2dn8 s GLU 76 Ca 0.41 -1.25 -0.32 0.00 0.02 0.00 0.00 54.97 53.83 2dn8 s GLU 76 Cb -0.17 -1.06 -0.11 0.00 0.10 0.00 0.00 34.13 32.89 2dn8 s GLU 76 CO 0.15 0.21 1.63 0.00 0.02 0.00 0.00 175.26 177.28 2dn8 s ALA 77 N -1.93 3.85 -0.81 5.21 0.00 -1.26 -2.78 121.76 124.03 2dn8 s ALA 77 Ca 0.09 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 2dn8 s ALA 77 Cb -0.06 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2dn8 s ALA 77 CO 0.04 -0.84 0.69 0.41 0.00 0.00 0.00 175.76 176.06 2dn8 n GLY 78 N 3.85 -0.33 3.45 0.00 0.00 -0.32 -4.97 105.19 106.86 2dn8 n GLY 78 Ca 0.15 0.12 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.35 5.22 0.02 0.00 0.11 -1.26 0.07 120.40 121.21 2dn8 s VAL 80 Ca 0.33 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 2dn8 s VAL 80 Cb 0.07 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 2dn8 s VAL 80 CO 0.15 0.14 0.00 0.52 -3.33 0.00 0.00 175.10 172.58 2dn8 n VAL 81 N 0.39 0.04 -3.83 2.04 0.31 -1.15 -4.84 118.33 111.29 2dn8 n VAL 81 Ca -0.05 0.01 -0.10 0.00 -0.01 0.00 0.00 64.34 64.19 2dn8 n VAL 81 Cb 0.52 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 -2.75 -1.07 -2.40 3.52 0.00 -1.23 -2.44 120.51 114.14 2dn8 n ALA 82 Ca 0.00 -1.26 -0.23 0.00 0.00 0.00 0.00 53.44 51.95 2dn8 n ALA 82 Cb 0.14 1.01 -0.05 0.00 0.00 0.00 0.00 19.45 20.55 2dn8 n ALA 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dn8 s ARG 83 N -2.34 2.42 -0.06 0.00 1.81 -1.21 -2.07 118.95 117.51 2dn8 s ARG 83 Ca 0.19 -1.59 0.02 0.00 -1.72 0.00 0.00 55.73 52.62 2dn8 s ARG 83 Cb -0.03 -2.22 0.02 0.00 -0.45 0.00 0.00 34.95 32.27 2dn8 s ARG 83 CO 0.14 -0.04 -0.09 -1.17 -0.68 0.00 0.00 175.30 173.46 2dn8 s LEU 84 N -3.97 1.48 -0.59 2.53 1.98 0.72 -2.54 118.68 118.29 2dn8 s LEU 84 Ca 0.42 -0.22 -0.05 0.00 -2.89 0.00 0.00 54.13 51.39 2dn8 s LEU 84 Cb -0.01 -0.66 0.15 0.00 0.66 0.00 0.00 46.19 46.33 2dn8 s LEU 84 CO 0.25 -0.01 0.42 -1.61 -1.89 0.00 0.00 176.35 173.51 2dn8 s GLU 85 N 0.82 2.56 -0.26 1.98 8.01 -0.36 -4.58 118.70 126.86 2dn8 s GLU 85 Ca -0.12 -2.32 -0.37 0.00 0.01 0.00 0.00 54.97 52.17 2dn8 s GLU 85 Cb -0.15 -3.79 -0.13 0.00 -4.31 0.00 0.00 34.13 25.75 2dn8 s GLU 85 CO 0.02 -1.17 1.94 1.28 0.01 0.00 0.00 175.26 177.34 2dn8 n LEU 86 N 3.87 2.56 -0.05 1.80 4.77 -1.26 -2.08 117.00 126.60 2dn8 n LEU 86 Ca 0.05 0.81 0.13 0.00 -0.03 0.00 0.00 56.01 56.97 2dn8 n LEU 86 Cb 0.40 -1.24 0.45 0.00 -2.33 0.00 0.00 43.42 40.70 2dn8 n LEU 86 CO 0.35 -0.44 0.72 -0.67 -1.33 0.00 0.00 177.39 176.01 2dn8 n ASP 87 N 7.33 0.41 -3.16 -1.43 -0.08 -1.26 -4.20 116.55 114.17 2dn8 n ASP 87 Ca 0.31 -0.20 -0.23 0.00 -1.51 0.00 0.00 54.79 53.16 2dn8 n ASP 87 Cb 0.20 -0.04 -0.06 0.00 2.34 0.00 0.00 41.12 43.57 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2dn8 n ASP 88 N -1.27 -0.02 0.21 1.67 2.03 -1.26 -4.93 116.55 112.98 2dn8 n ASP 88 Ca 0.09 -2.75 0.09 0.00 0.52 0.00 0.00 54.79 52.74 2dn8 n ASP 88 Cb 0.32 -0.46 0.33 0.00 -0.72 0.00 0.00 41.12 40.59 2dn8 n ASP 88 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dn8 h PRO 89 N 3.95 0.00 -1.10 -0.67 0.13 -1.98 -3.46 132.00 128.87 2dn8 h PRO 89 Ca 0.06 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.39 2dn8 h PRO 89 Cb 0.90 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.73 2dn8 h PRO 89 CO 0.45 0.23 0.89 0.45 -0.23 0.00 0.00 178.00 179.79 2dn8 s SER 90 N -6.20 -0.07 0.00 1.44 0.15 -1.26 -5.18 113.70 102.58 2dn8 s SER 90 Ca 0.03 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2dn8 s SER 90 Cb 0.08 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2dn8 s SER 90 CO 0.66 -0.04 0.00 1.17 1.20 0.00 0.00 173.24 176.22 2dn8 n LYS 91 N 1.03 0.48 -3.92 5.44 4.81 -1.26 -5.17 118.16 119.57 2dn8 n LYS 91 Ca -0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.27 2dn8 n LYS 91 Cb 0.58 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.49 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2dn8 s VAL 92 N 2.40 0.06 0.14 3.15 0.11 -1.26 -5.16 120.40 119.84 2dn8 s VAL 92 Ca 0.00 -0.21 0.11 0.00 -2.93 0.00 0.00 61.98 58.94 2dn8 s VAL 92 Cb 0.00 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.71 2dn8 s VAL 92 CO 0.00 -0.10 -0.25 -1.38 -3.33 0.00 0.00 175.10 170.05 2dn8 s HIS 93 N -0.32 2.35 -0.30 1.54 -3.43 -1.26 -5.09 115.29 108.78 2dn8 s HIS 93 Ca -0.03 -0.36 -0.29 0.00 -0.80 0.00 0.00 55.06 53.58 2dn8 s HIS 93 Cb -0.02 -1.25 -0.00 0.00 -1.43 0.00 0.00 32.58 29.88 2dn8 s HIS 93 CO -0.00 0.38 1.35 -1.25 -2.00 0.00 0.00 174.74 173.22 2dn8 s PRO 94 N -2.19 3.86 0.00 -0.38 0.04 -1.26 -4.91 135.00 130.16 2dn8 s PRO 94 Ca 0.16 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2dn8 s PRO 94 Cb -0.10 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2dn8 s PRO 94 CO 0.07 -1.19 0.00 0.43 0.04 0.00 0.00 177.00 176.35 2dn8 n SER 95 N 7.86 0.00 -2.03 6.66 7.64 -1.26 -5.18 113.62 127.31 2dn8 n SER 95 Ca 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.03 2dn8 n SER 95 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2dn8 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn8 n GLY 96 N -0.63 0.40 3.78 0.23 0.00 -1.26 -5.06 105.19 102.64 2dn8 n GLY 96 Ca 0.00 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.75 2dn8 n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn8 s PRO 97 N -2.54 4.26 -0.36 1.61 0.04 -1.26 -5.03 135.00 131.73 2dn8 s PRO 97 Ca 0.01 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 2dn8 s PRO 97 Cb -0.00 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.90 2dn8 s PRO 97 CO 0.01 -0.07 0.14 0.45 0.04 0.00 0.00 177.00 177.57 2dn8 s SER 98 N -1.41 5.41 -0.02 6.66 0.15 -1.26 -4.86 113.70 118.38 2dn8 s SER 98 Ca 0.55 -1.21 -0.02 0.00 0.70 0.00 0.00 55.95 55.97 2dn8 s SER 98 Cb -0.24 -1.90 0.01 0.00 -1.71 0.00 0.00 66.02 62.17 2dn8 s SER 98 CO 0.31 -0.37 0.05 -1.20 1.20 0.00 0.00 173.24 173.22 2dn8 n SER 99 N 4.84 -8.01 0.00 5.45 7.64 -1.26 -5.35 113.62 116.92 2dn8 n SER 99 Ca -0.12 1.80 0.00 0.00 1.01 0.00 0.00 58.87 61.56 2dn8 n SER 99 Cb 0.44 -5.27 0.00 0.00 -1.01 0.00 0.00 64.21 58.37 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64