#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 -0.40 -0.02 1.61 0.15 -1.26 -5.06 113.70 108.71 2dn8 s SER 2 Ca 0.00 0.10 -0.20 0.00 0.70 0.00 0.00 55.95 56.55 2dn8 s SER 2 Cb 0.00 1.28 -0.12 0.00 -1.71 0.00 0.00 66.02 65.47 2dn8 s SER 2 CO 0.00 -0.07 0.83 0.77 1.20 0.00 0.00 173.24 175.97 2dn8 h SER 3 N 7.47 -0.49 -4.82 5.45 4.64 -2.11 -3.50 113.55 120.18 2dn8 h SER 3 Ca -0.10 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2dn8 h SER 3 Cb 1.18 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2dn8 h SER 3 CO -0.11 -0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.40 2dn8 n GLY 4 N 0.11 3.62 3.57 -0.77 0.00 -1.26 -5.17 105.19 105.29 2dn8 n GLY 4 Ca -0.08 -1.66 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 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 0.00 -0.22 0.10 1.61 0.01 -1.26 -5.19 113.70 108.76 2dn8 s SER 5 Ca 0.00 0.05 -0.26 0.00 1.31 0.00 0.00 55.95 57.06 2dn8 s SER 5 Cb 0.00 0.22 0.08 0.00 0.21 0.00 0.00 66.02 66.52 2dn8 s SER 5 CO 0.00 -0.33 0.82 -0.55 0.41 0.00 0.00 173.24 173.59 2dn8 s SER 6 N -2.03 -0.35 0.09 2.44 0.15 -1.26 -5.19 113.70 107.55 2dn8 s SER 6 Ca 0.07 -0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.39 2dn8 s SER 6 Cb -0.01 0.50 0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2dn8 s SER 6 CO -0.05 -0.85 0.74 0.61 1.20 0.00 0.00 173.24 174.88 2dn8 n GLY 7 N -0.36 0.72 3.97 9.45 0.00 -1.26 -5.17 105.19 112.54 2dn8 n GLY 7 Ca -0.09 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.19 5.26 -0.56 2.61 -4.23 -1.26 -5.07 115.64 110.20 2dn8 s THR 8 Ca 0.17 -0.99 0.04 0.00 -1.18 0.00 0.00 61.69 59.73 2dn8 s THR 8 Cb -0.02 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 70.11 2dn8 s THR 8 CO 0.03 -0.33 0.35 0.00 -0.54 0.00 0.00 174.62 174.12 2dn8 s VAL 10 N -0.57 3.44 -0.03 0.00 1.01 -1.26 -5.12 120.40 117.87 2dn8 s VAL 10 Ca 0.21 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.42 2dn8 s VAL 10 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2dn8 s VAL 10 CO -0.07 0.45 -0.04 0.12 0.00 0.00 0.00 175.10 175.55 2dn8 s PHE 11 N -0.92 2.98 -0.07 5.22 2.19 -1.26 -5.11 117.98 121.02 2dn8 s PHE 11 Ca 0.15 0.04 -0.03 0.00 0.33 0.00 0.00 56.93 57.42 2dn8 s PHE 11 Cb -0.11 -1.68 0.04 0.00 -1.31 0.00 0.00 43.02 39.96 2dn8 s PHE 11 CO 0.05 0.39 0.13 -2.00 1.83 0.00 0.00 175.22 175.62 2dn8 s GLU 12 N -1.18 0.01 -0.79 10.12 2.12 -1.26 -5.09 118.70 122.62 2dn8 s GLU 12 Ca 0.16 0.47 -0.20 0.00 0.36 0.00 0.00 54.97 55.76 2dn8 s GLU 12 Cb -0.11 -0.31 0.11 0.00 0.26 0.00 0.00 34.13 34.07 2dn8 s GLU 12 CO 0.05 -0.28 1.02 0.21 -0.54 0.00 0.00 175.26 175.72 2dn8 s LYS 13 N 2.03 3.35 -0.35 4.30 2.20 -1.26 -4.84 119.74 125.18 2dn8 s LYS 13 Ca 0.01 -1.37 -0.05 0.00 -0.36 0.00 0.00 55.97 54.21 2dn8 s LYS 13 Cb -0.12 -4.58 0.19 0.00 -1.51 0.00 0.00 37.83 31.81 2dn8 s LYS 13 CO -0.05 -1.76 0.94 -2.00 -0.36 0.00 0.00 175.35 172.12 2dn8 s GLU 14 N 3.19 0.34 -0.29 4.03 2.56 -1.26 -5.12 118.70 122.15 2dn8 s GLU 14 Ca 0.26 -0.11 0.04 0.00 0.00 0.00 0.00 54.97 55.16 2dn8 s GLU 14 Cb -0.12 0.04 0.18 0.00 2.00 0.00 0.00 34.13 36.23 2dn8 s GLU 14 CO -0.00 -0.49 0.49 -0.80 -0.56 0.00 0.00 175.26 173.90 2dn8 s ASN 15 N 1.94 -0.53 0.71 -1.70 -0.87 -1.26 -5.15 114.94 108.07 2dn8 s ASN 15 Ca 0.15 -0.15 -0.14 0.00 -1.57 0.00 0.00 52.86 51.15 2dn8 s ASN 15 Cb 0.01 1.52 0.03 0.00 -0.02 0.00 0.00 41.25 42.79 2dn8 s ASN 15 CO -0.13 -0.33 1.14 -1.81 -2.57 0.00 0.00 177.10 173.40 2dn8 s ASP 16 N 2.65 4.66 0.00 -1.22 1.11 -1.26 -4.90 116.67 117.71 2dn8 s ASP 16 Ca 0.10 2.09 0.22 0.00 0.18 0.00 0.00 52.55 55.14 2dn8 s ASP 16 Cb -0.11 -2.56 1.08 0.00 1.07 0.00 0.00 42.92 42.39 2dn8 s ASP 16 CO -0.28 -1.94 1.73 -0.81 1.18 0.00 0.00 175.17 175.05 2dn8 n PRO 17 N -2.73 0.21 -1.52 8.23 -0.04 -1.26 -2.80 135.00 135.09 2dn8 n PRO 17 Ca 0.11 0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.47 2dn8 n PRO 17 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.36 2.71 -4.05 0.52 -2.24 -1.26 -4.92 114.28 103.69 2dn8 n THR 18 Ca 0.09 -3.60 -0.13 0.00 -2.27 0.00 0.00 64.05 58.14 2dn8 n THR 18 Cb 0.21 -0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 67.41 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 -4.24 0.31 -0.62 2.28 0.11 -1.12 -1.79 120.40 115.33 2dn8 s VAL 19 Ca 0.51 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 59.11 2dn8 s VAL 19 Cb 0.42 -0.32 0.15 0.00 -1.53 0.00 0.00 36.38 35.11 2dn8 s VAL 19 CO 0.01 -0.11 0.40 -0.76 -3.33 0.00 0.00 175.10 171.31 2dn8 s LEU 20 N -0.62 4.78 0.67 2.54 1.43 0.51 -4.80 118.68 123.17 2dn8 s LEU 20 Ca -0.04 -3.18 -0.10 0.00 -1.03 0.00 0.00 54.13 49.79 2dn8 s LEU 20 Cb -0.05 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.46 2dn8 s LEU 20 CO -0.00 -0.24 1.03 -0.13 0.23 0.00 0.00 176.35 177.24 2dn8 s ARG 21 N -0.53 2.90 -0.23 1.70 0.52 -1.26 -3.17 118.95 118.88 2dn8 s ARG 21 Ca 0.19 0.32 -0.25 0.00 -0.52 0.00 0.00 55.73 55.47 2dn8 s ARG 21 Cb -0.19 -2.10 -0.00 0.00 0.52 0.00 0.00 34.95 33.17 2dn8 s ARG 21 CO -0.05 -0.92 0.87 0.45 0.02 0.00 0.00 175.30 175.67 2dn8 s SER 22 N -4.34 6.90 0.40 0.23 0.15 0.86 -4.89 113.70 113.02 2dn8 s SER 22 Ca 0.57 1.12 0.27 0.00 0.70 0.00 0.00 55.95 58.61 2dn8 s SER 22 Cb -0.11 -2.46 0.88 0.00 -1.71 0.00 0.00 66.02 62.62 2dn8 s SER 22 CO 0.50 -0.52 1.78 1.55 1.20 0.00 0.00 173.24 177.75 2dn8 h PRO 23 N 7.58 0.00 -2.11 5.44 0.13 -1.90 0.12 132.00 141.25 2dn8 h PRO 23 Ca -0.23 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 2dn8 h PRO 23 Cb 1.09 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.03 2dn8 h PRO 23 CO 0.88 0.00 0.15 0.45 -0.23 0.00 0.00 178.00 179.25 2dn8 s SER 24 N -5.38 -0.62 1.22 1.44 0.15 -1.26 -4.69 113.70 104.56 2dn8 s SER 24 Ca 0.05 0.65 -0.17 0.00 0.70 0.00 0.00 55.95 57.18 2dn8 s SER 24 Cb 0.08 0.52 0.26 0.00 -1.71 0.00 0.00 66.02 65.17 2dn8 s SER 24 CO 0.57 -0.60 0.64 0.00 1.20 0.00 0.00 173.24 175.04 2dn8 n ALA 25 N 0.91 -3.62 0.00 5.45 0.00 -1.26 -4.45 120.51 117.55 2dn8 n ALA 25 Ca -0.19 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 51.85 2dn8 n ALA 25 Cb 0.57 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.65 -0.57 3.15 0.00 0.00 0.18 -4.59 105.19 105.01 2dn8 n GLY 26 Ca 0.04 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.71 0.43 0.30 1.61 1.02 0.60 -2.80 119.74 120.19 2dn8 s LYS 27 Ca 0.00 0.73 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 2dn8 s LYS 27 Cb 0.00 0.40 -0.13 0.00 -0.52 0.00 0.00 37.83 37.58 2dn8 s LYS 27 CO 0.00 -0.49 1.35 -0.11 -0.92 0.00 0.00 175.35 175.18 2dn8 n LEU 28 N 5.44 3.41 0.01 3.17 7.94 -1.13 -2.04 117.00 133.80 2dn8 n LEU 28 Ca -0.02 1.18 -0.00 0.00 -1.11 0.00 0.00 56.01 56.05 2dn8 n LEU 28 Cb 0.52 -1.47 -0.00 0.00 0.53 0.00 0.00 43.42 43.00 2dn8 n LEU 28 CO -0.03 -0.46 -0.02 0.35 -1.11 0.00 0.00 177.39 176.12 2dn8 n THR 29 N 1.05 0.43 -3.59 1.96 -2.24 -1.26 -3.24 114.28 107.40 2dn8 n THR 29 Ca 0.08 0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 61.97 2dn8 n THR 29 Cb 0.34 -1.26 0.02 0.00 -2.10 0.00 0.00 70.33 67.34 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 -2.87 0.71 -4.24 -0.78 10.64 -1.26 -4.34 117.38 115.24 2dn8 n GLN 30 Ca -0.00 -1.42 -0.24 0.00 -1.83 0.00 0.00 57.00 53.50 2dn8 n GLN 30 Cb 0.02 1.80 -0.08 0.00 -0.86 0.00 0.00 30.24 31.12 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 -4.10 2.60 -0.72 2.61 -0.85 -1.26 -2.91 117.35 112.72 2dn8 s TYR 31 Ca 0.12 -0.48 0.07 0.00 -0.52 0.00 0.00 57.07 56.26 2dn8 s TYR 31 Cb -0.03 -1.66 0.15 0.00 0.38 0.00 0.00 41.96 40.79 2dn8 s TYR 31 CO 0.07 0.37 1.00 0.25 -1.52 0.00 0.00 175.55 175.72 2dn8 n THR 32 N -1.07 0.63 -4.07 -3.49 -2.24 -0.29 -4.91 114.28 98.83 2dn8 n THR 32 Ca -0.03 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 60.83 2dn8 n THR 32 Cb 0.63 0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.85 0.44 1.02 2.28 -7.23 -1.24 -4.96 120.40 109.85 2dn8 s VAL 33 Ca 0.13 -1.35 -0.17 0.00 -1.81 0.00 0.00 61.98 58.78 2dn8 s VAL 33 Cb 0.07 -0.91 0.22 0.00 0.56 0.00 0.00 36.38 36.32 2dn8 s VAL 33 CO 0.10 -0.61 1.29 -1.83 -0.31 0.00 0.00 175.10 173.73 2dn8 s GLU 34 N -2.41 0.20 0.24 4.82 -1.05 -1.26 -4.83 118.70 114.41 2dn8 s GLU 34 Ca -0.04 -0.37 -0.29 0.00 -0.15 0.00 0.00 54.97 54.12 2dn8 s GLU 34 Cb -0.04 -1.79 -0.15 0.00 -0.44 0.00 0.00 34.13 31.71 2dn8 s GLU 34 CO -0.03 -2.72 0.98 -3.47 0.95 0.00 0.00 175.26 170.97 2dn8 n ASP 35 N -3.99 0.93 -3.93 0.83 -0.08 -1.26 -0.05 116.55 109.00 2dn8 n ASP 35 Ca 0.15 1.16 -0.30 0.00 -1.51 0.00 0.00 54.79 54.29 2dn8 n ASP 35 Cb 0.59 -1.22 -0.05 0.00 2.34 0.00 0.00 41.12 42.79 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dn8 n GLY 36 N 1.55 -0.44 3.75 0.27 0.00 -0.79 -4.81 105.19 104.72 2dn8 n GLY 36 Ca 0.12 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.91 2.42 -0.11 -0.02 0.00 0.93 -4.53 107.32 103.10 2dn8 s GLY 37 Ca 0.59 1.39 -0.11 0.00 0.00 0.00 0.00 44.72 46.59 2dn8 s GLY 37 CO 0.73 2.29 0.26 -1.58 0.00 0.00 0.00 173.10 174.80 2dn8 s HIS 38 N -0.24 3.58 0.24 1.90 2.46 -1.26 0.92 115.29 122.88 2dn8 s HIS 38 Ca 0.58 0.66 0.04 0.00 0.47 0.00 0.00 55.06 56.81 2dn8 s HIS 38 Cb -0.43 -2.18 -0.01 0.00 -0.13 0.00 0.00 32.58 29.83 2dn8 s HIS 38 CO 0.47 0.52 0.23 1.33 -2.47 0.00 0.00 174.74 174.83 2dn8 n VAL 39 N 2.55 0.00 -4.03 0.89 0.24 -0.92 -4.99 118.33 112.07 2dn8 n VAL 39 Ca -0.15 -1.60 -0.25 0.00 -2.04 0.00 0.00 64.34 60.30 2dn8 n VAL 39 Cb 0.53 0.83 -0.04 0.00 -1.47 0.00 0.00 33.84 33.69 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 -2.86 3.14 -0.59 7.34 2.02 -1.26 -3.35 118.70 123.14 2dn8 s GLU 40 Ca 0.26 -0.80 -0.26 0.00 0.02 0.00 0.00 54.97 54.19 2dn8 s GLU 40 Cb 0.01 -2.76 -0.06 0.00 0.10 0.00 0.00 34.13 31.41 2dn8 s GLU 40 CO 0.19 0.48 2.23 0.00 0.02 0.00 0.00 175.26 178.17 2dn8 s ALA 41 N -1.84 1.66 0.00 5.21 0.00 -1.26 -0.75 121.76 124.78 2dn8 s ALA 41 Ca 0.33 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2dn8 s ALA 41 Cb -0.10 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.64 2dn8 s ALA 41 CO 0.26 -4.53 0.00 0.41 0.00 0.00 0.00 175.76 171.90 2dn8 n GLY 42 N 6.08 1.21 3.70 0.00 0.00 -1.05 -4.85 105.19 110.28 2dn8 n GLY 42 Ca 0.34 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 2dn8 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn8 s SER 43 N -0.49 3.46 -0.09 1.61 0.01 0.07 -4.57 113.70 113.71 2dn8 s SER 43 Ca 0.00 2.01 -0.17 0.00 1.31 0.00 0.00 55.95 59.11 2dn8 s SER 43 Cb 0.00 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.65 2dn8 s SER 43 CO 0.00 -2.73 0.43 -0.94 0.41 0.00 0.00 173.24 170.41 2dn8 s SER 44 N -2.96 6.69 -0.01 2.44 1.04 -1.26 -2.18 113.70 117.46 2dn8 s SER 44 Ca 0.65 0.82 0.05 0.00 0.48 0.00 0.00 55.95 57.95 2dn8 s SER 44 Cb -0.21 -2.26 -0.07 0.00 0.10 0.00 0.00 66.02 63.58 2dn8 s SER 44 CO 0.57 0.11 0.15 0.00 0.98 0.00 0.00 173.24 175.05 2dn8 n TYR 45 N 3.11 0.00 -3.84 5.02 0.18 0.16 -4.77 117.16 117.02 2dn8 n TYR 45 Ca -0.10 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.62 2dn8 n TYR 45 Cb 0.52 -0.09 0.02 0.00 -0.38 0.00 0.00 39.34 39.41 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 -2.11 -1.11 0.31 -3.48 0.00 -1.14 -1.14 121.76 113.08 2dn8 s ALA 46 Ca -0.01 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.46 2dn8 s ALA 46 Cb 0.04 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 2dn8 s ALA 46 CO 0.22 -1.02 0.25 0.39 0.00 0.00 0.00 175.76 175.59 2dn8 n GLU 47 N -0.59 0.40 -3.66 0.00 1.02 -1.15 0.73 120.64 117.39 2dn8 n GLU 47 Ca -0.06 -3.06 -0.07 0.00 -0.02 0.00 0.00 57.16 53.94 2dn8 n GLU 47 Cb 0.60 2.42 -0.02 0.00 -0.02 0.00 0.00 31.44 34.42 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 -3.26 1.27 -0.18 3.49 0.23 0.06 -4.08 119.30 116.83 2dn8 s MET 48 Ca 0.35 -0.62 0.01 0.00 -1.03 0.00 0.00 55.69 54.39 2dn8 s MET 48 Cb 0.02 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 33.84 2dn8 s MET 48 CO 0.25 -0.57 -0.13 -2.00 -2.03 0.00 0.00 175.02 170.53 2dn8 s GLU 49 N -3.49 2.27 0.01 3.16 2.12 -0.87 0.08 118.70 121.98 2dn8 s GLU 49 Ca 0.08 -0.75 0.02 0.00 0.36 0.00 0.00 54.97 54.67 2dn8 s GLU 49 Cb -0.02 -2.34 -0.01 0.00 0.26 0.00 0.00 34.13 32.02 2dn8 s GLU 49 CO -0.02 -0.33 -0.06 0.54 -0.54 0.00 0.00 175.26 174.85 2dn8 s VAL 50 N 1.40 0.42 -1.44 3.70 0.11 0.31 -0.29 120.40 124.61 2dn8 s VAL 50 Ca 0.02 -0.56 -0.12 0.00 -2.93 0.00 0.00 61.98 58.38 2dn8 s VAL 50 Cb -0.15 -0.42 0.09 0.00 -1.53 0.00 0.00 36.38 34.38 2dn8 s VAL 50 CO -0.10 -0.10 0.67 0.23 -3.33 0.00 0.00 175.10 172.47 2dn8 n MET 51 N 2.34 -3.88 -2.15 1.54 2.81 -1.26 0.15 117.12 116.68 2dn8 n MET 51 Ca -0.17 0.49 -0.17 0.00 -1.81 0.00 0.00 57.70 56.04 2dn8 n MET 51 Cb 0.57 -5.26 -0.02 0.00 -0.71 0.00 0.00 33.22 27.80 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 -4.10 -1.35 -4.37 0.03 5.02 -1.26 -4.98 118.16 107.15 2dn8 n LYS 52 Ca 0.02 0.90 -0.19 0.00 -2.02 0.00 0.00 58.31 57.02 2dn8 n LYS 52 Cb 0.53 -5.32 -0.15 0.00 -0.02 0.00 0.00 35.03 30.07 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 -4.55 0.80 -0.28 1.97 -1.94 0.40 -5.12 119.30 110.56 2dn8 s MET 53 Ca 0.00 -0.32 -0.18 0.00 -1.71 0.00 0.00 55.69 53.49 2dn8 s MET 53 Cb 0.00 -0.76 -0.02 0.00 2.01 0.00 0.00 34.83 36.05 2dn8 s MET 53 CO 0.00 0.17 0.51 0.42 -0.01 0.00 0.00 175.02 176.11 2dn8 s ILE 54 N -0.09 5.06 -0.03 2.53 -1.09 -1.26 0.12 121.20 126.44 2dn8 s ILE 54 Ca 0.02 0.74 0.05 0.00 -2.23 0.00 0.00 60.65 59.23 2dn8 s ILE 54 Cb -0.05 -3.85 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 2dn8 s ILE 54 CO -0.00 0.02 -0.18 -0.32 -1.23 0.00 0.00 174.94 173.23 2dn8 s MET 55 N 2.33 2.34 0.44 2.79 -2.45 0.11 -4.96 119.30 119.90 2dn8 s MET 55 Ca 0.20 -0.80 -0.20 0.00 -1.25 0.00 0.00 55.69 53.65 2dn8 s MET 55 Cb -0.16 -2.27 -0.10 0.00 1.25 0.00 0.00 34.83 33.56 2dn8 s MET 55 CO 0.10 0.59 0.94 0.99 1.05 0.00 0.00 175.02 178.70 2dn8 s THR 56 N -0.74 4.44 -0.20 10.11 2.01 -1.26 -0.76 115.64 129.23 2dn8 s THR 56 Ca 0.12 1.39 -0.01 0.00 0.31 0.00 0.00 61.69 63.50 2dn8 s THR 56 Cb -0.10 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2dn8 s THR 56 CO 0.01 -0.38 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.67 2dn8 s LEU 57 N -3.35 2.54 0.31 4.42 1.43 0.22 -4.89 118.68 119.37 2dn8 s LEU 57 Ca 0.61 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 2dn8 s LEU 57 Cb -0.09 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2dn8 s LEU 57 CO 0.17 -0.02 0.18 0.54 0.23 0.00 0.00 176.35 177.45 2dn8 s ASN 58 N 1.36 5.06 0.06 2.29 4.22 -1.26 -0.67 114.94 126.00 2dn8 s ASN 58 Ca 0.04 -0.54 -0.19 0.00 -2.14 0.00 0.00 52.86 50.04 2dn8 s ASN 58 Cb -0.14 -0.99 -0.06 0.00 1.28 0.00 0.00 41.25 41.34 2dn8 s ASN 58 CO -0.08 -0.20 0.56 0.68 -2.04 0.00 0.00 177.10 176.01 2dn8 s VAL 59 N -2.30 4.78 0.19 3.54 -7.23 -0.93 -4.89 120.40 113.56 2dn8 s VAL 59 Ca 0.36 1.18 0.19 0.00 -1.81 0.00 0.00 61.98 61.91 2dn8 s VAL 59 Cb -0.05 -3.88 0.14 0.00 0.56 0.00 0.00 36.38 33.15 2dn8 s VAL 59 CO 0.24 0.54 1.76 1.56 -0.31 0.00 0.00 175.10 178.89 2dn8 h GLN 60 N 4.66 0.00 -2.46 4.82 1.08 -1.94 -2.78 115.11 118.49 2dn8 h GLN 60 Ca -0.49 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.63 2dn8 h GLN 60 Cb 1.21 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 28.39 2dn8 h GLN 60 CO 0.64 0.36 -0.27 -1.21 -0.95 0.00 0.00 178.83 177.40 2dn8 s GLU 61 N -3.66 0.42 0.52 1.46 2.02 -1.26 -4.84 118.70 113.36 2dn8 s GLU 61 Ca -0.00 0.99 -0.14 0.00 0.02 0.00 0.00 54.97 55.84 2dn8 s GLU 61 Cb 0.11 0.20 -0.12 0.00 0.10 0.00 0.00 34.13 34.43 2dn8 s GLU 61 CO 0.68 -0.20 -0.27 2.89 0.02 0.00 0.00 175.26 178.39 2dn8 n ARG 62 N 4.79 0.00 0.00 1.61 1.85 -1.26 -4.79 116.66 118.86 2dn8 n ARG 62 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 2dn8 n ARG 62 Cb 0.53 -0.80 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 2.24 -0.55 2.93 2.89 0.00 -1.21 -4.74 105.19 106.74 2dn8 n GLY 63 Ca 0.04 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.77 1.68 0.16 1.61 0.52 -0.99 -2.17 118.95 117.99 2dn8 s ARG 64 Ca 0.00 -0.44 -0.23 0.00 -0.52 0.00 0.00 55.73 54.55 2dn8 s ARG 64 Cb 0.00 -1.88 -0.08 0.00 0.52 0.00 0.00 34.95 33.51 2dn8 s ARG 64 CO 0.00 -0.33 0.72 0.08 0.02 0.00 0.00 175.30 175.80 2dn8 s VAL 65 N 1.62 4.49 -0.05 3.52 1.01 0.26 -2.29 120.40 128.96 2dn8 s VAL 65 Ca 0.03 1.49 -0.05 0.00 0.00 0.00 0.00 61.98 63.46 2dn8 s VAL 65 Cb -0.14 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.25 2dn8 s VAL 65 CO -0.09 0.45 0.14 -0.75 0.00 0.00 0.00 175.10 174.85 2dn8 s LYS 66 N -1.36 0.15 -0.10 2.72 2.36 -1.22 -0.88 119.74 121.41 2dn8 s LYS 66 Ca 0.36 0.22 -0.27 0.00 -2.55 0.00 0.00 55.97 53.74 2dn8 s LYS 66 Cb -0.21 0.04 -0.02 0.00 -1.05 0.00 0.00 37.83 36.59 2dn8 s LYS 66 CO 0.23 -0.04 0.89 -0.47 1.55 0.00 0.00 175.35 177.51 2dn8 s TYR 67 N 0.26 3.51 -0.10 4.03 5.04 -1.26 -3.67 117.35 125.15 2dn8 s TYR 67 Ca -0.02 1.43 -0.05 0.00 -2.44 0.00 0.00 57.07 56.00 2dn8 s TYR 67 Cb -0.03 -3.05 -0.05 0.00 0.35 0.00 0.00 41.96 39.19 2dn8 s TYR 67 CO -0.01 -0.14 -0.13 -0.89 -1.34 0.00 0.00 175.55 173.04 2dn8 n ILE 68 N 4.38 0.58 -2.99 3.14 5.41 -1.24 -4.99 119.36 123.64 2dn8 n ILE 68 Ca 0.05 -0.15 -0.40 0.00 1.00 0.00 0.00 62.75 63.25 2dn8 n ILE 68 Cb 0.50 -1.56 -0.05 0.00 -0.71 0.00 0.00 39.64 37.81 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 -2.19 4.49 0.57 0.38 -0.14 -1.20 -5.02 119.74 116.63 2dn8 s LYS 69 Ca -0.15 1.06 -0.19 0.00 -1.36 0.00 0.00 55.97 55.33 2dn8 s LYS 69 Cb 0.05 -3.36 -0.06 0.00 -1.68 0.00 0.00 37.83 32.78 2dn8 s LYS 69 CO 0.19 0.30 0.88 0.54 -0.76 0.00 0.00 175.35 176.50 2dn8 n ARG 70 N 2.76 0.89 -2.40 1.68 3.00 -1.26 -4.88 116.66 116.45 2dn8 n ARG 70 Ca -0.03 0.34 -0.43 0.00 -0.01 0.00 0.00 57.85 57.73 2dn8 n ARG 70 Cb 0.50 -2.06 -0.02 0.00 0.00 0.00 0.00 32.46 30.88 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 -2.51 4.19 0.00 5.56 0.04 -1.26 -3.46 135.00 137.56 2dn8 s PRO 71 Ca 0.72 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2dn8 s PRO 71 Cb -0.44 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.31 2dn8 s PRO 71 CO 0.50 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2dn8 n GLY 72 N 3.73 1.92 3.98 0.56 0.00 -1.20 -5.00 105.19 109.18 2dn8 n GLY 72 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 3.61 -0.40 4.61 0.00 -1.22 -4.93 121.76 121.43 2dn8 s ALA 73 Ca 0.00 -1.61 -0.18 0.00 0.00 0.00 0.00 51.96 50.17 2dn8 s ALA 73 Cb 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 21.04 2dn8 s ALA 73 CO 0.00 -1.43 0.47 0.54 0.00 0.00 0.00 175.76 175.34 2dn8 s VAL 74 N -3.15 5.04 -0.10 0.00 0.11 -1.26 -2.82 120.40 118.22 2dn8 s VAL 74 Ca 0.65 -0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 59.32 2dn8 s VAL 74 Cb -0.06 -4.02 -0.01 0.00 -1.53 0.00 0.00 36.38 30.75 2dn8 s VAL 74 CO 0.44 -0.37 1.00 -0.76 -3.33 0.00 0.00 175.10 172.08 2dn8 s LEU 75 N 2.28 4.25 0.17 2.54 2.01 -1.12 -4.91 118.68 123.90 2dn8 s LEU 75 Ca 0.15 1.52 0.06 0.00 0.01 0.00 0.00 54.13 55.88 2dn8 s LEU 75 Cb -0.16 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.45 2dn8 s LEU 75 CO 0.14 -0.44 -0.13 -1.61 1.01 0.00 0.00 176.35 175.32 2dn8 s GLU 76 N 1.96 1.19 0.31 1.70 2.02 -1.26 0.50 118.70 125.11 2dn8 s GLU 76 Ca 0.48 -1.46 -0.29 0.00 0.02 0.00 0.00 54.97 53.71 2dn8 s GLU 76 Cb -0.18 -0.95 -0.11 0.00 0.10 0.00 0.00 34.13 32.98 2dn8 s GLU 76 CO 0.18 0.16 1.53 0.00 0.02 0.00 0.00 175.26 177.15 2dn8 s ALA 77 N -2.83 3.68 -1.04 5.21 0.00 -1.26 -3.07 121.76 122.44 2dn8 s ALA 77 Ca 0.18 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 2dn8 s ALA 77 Cb -0.01 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 2dn8 s ALA 77 CO 0.04 -0.95 0.85 0.41 0.00 0.00 0.00 175.76 176.11 2dn8 n GLY 78 N 1.71 -1.12 3.42 0.00 0.00 0.41 -4.92 105.19 104.68 2dn8 n GLY 78 Ca 0.06 0.53 -0.21 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.42 5.46 0.17 0.00 0.11 -1.26 -0.10 120.40 121.36 2dn8 s VAL 80 Ca 0.32 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 2dn8 s VAL 80 Cb 0.05 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 2dn8 s VAL 80 CO 0.16 0.52 0.00 0.52 -3.33 0.00 0.00 175.10 172.97 2dn8 n VAL 81 N 1.64 0.50 -3.65 2.04 0.31 -1.19 -4.87 118.33 113.10 2dn8 n VAL 81 Ca -0.17 0.16 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2dn8 n VAL 81 Cb 0.54 -1.02 -0.05 0.00 -0.91 0.00 0.00 33.84 32.40 2dn8 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dn8 s ALA 82 N -2.00 -0.88 0.16 3.52 0.00 -1.21 -3.26 121.76 118.08 2dn8 s ALA 82 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.96 2dn8 s ALA 82 Cb 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2dn8 s ALA 82 CO 0.00 -0.61 0.06 1.03 0.00 0.00 0.00 175.76 176.24 2dn8 s ARG 83 N -3.65 2.66 -0.01 0.00 3.00 -1.24 -0.37 118.95 119.33 2dn8 s ARG 83 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 55.73 54.81 2dn8 s ARG 83 Cb 0.02 -2.52 -0.03 0.00 0.00 0.00 0.00 34.95 32.41 2dn8 s ARG 83 CO -0.11 0.48 -0.03 -0.51 0.00 0.00 0.00 175.30 175.13 2dn8 s LEU 84 N -2.92 3.36 -0.31 2.53 1.43 -0.74 -3.38 118.68 118.66 2dn8 s LEU 84 Ca 0.29 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 2dn8 s LEU 84 Cb -0.10 -1.90 0.09 0.00 0.03 0.00 0.00 46.19 44.31 2dn8 s LEU 84 CO 0.21 0.30 -0.00 -0.70 0.23 0.00 0.00 176.35 176.38 2dn8 s GLU 85 N -1.37 1.70 0.04 1.70 2.12 -0.97 -4.58 118.70 117.33 2dn8 s GLU 85 Ca 0.17 -1.64 -0.33 0.00 0.36 0.00 0.00 54.97 53.53 2dn8 s GLU 85 Cb -0.11 -3.04 -0.12 0.00 0.26 0.00 0.00 34.13 31.12 2dn8 s GLU 85 CO 0.08 -0.81 1.79 1.28 -0.54 0.00 0.00 175.26 177.05 2dn8 n LEU 86 N 4.35 3.51 -0.09 2.70 4.77 -1.26 -2.35 117.00 128.63 2dn8 n LEU 86 Ca -0.03 1.00 0.12 0.00 -0.03 0.00 0.00 56.01 57.07 2dn8 n LEU 86 Cb 0.42 -1.43 0.17 0.00 -2.33 0.00 0.00 43.42 40.25 2dn8 n LEU 86 CO 0.21 -0.06 0.37 -0.90 -1.33 0.00 0.00 177.39 175.68 2dn8 n ASP 87 N 5.53 0.84 -3.15 -1.43 5.68 -1.26 -4.38 116.55 118.38 2dn8 n ASP 87 Ca 0.20 -0.65 -0.21 0.00 -0.50 0.00 0.00 54.79 53.63 2dn8 n ASP 87 Cb 0.32 0.41 -0.05 0.00 -1.14 0.00 0.00 41.12 40.66 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2dn8 n ASP 88 N -1.21 0.08 0.22 -1.12 2.03 -1.26 -4.92 116.55 110.36 2dn8 n ASP 88 Ca 0.07 -2.83 0.10 0.00 0.52 0.00 0.00 54.79 52.65 2dn8 n ASP 88 Cb 0.35 -0.42 0.35 0.00 -0.72 0.00 0.00 41.12 40.68 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 3.73 0.00 -1.02 -0.67 0.13 -1.99 -3.45 132.00 128.73 2dn8 h PRO 89 Ca 0.06 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.40 2dn8 h PRO 89 Cb 0.92 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.71 2dn8 h PRO 89 CO 0.45 0.18 0.87 0.45 -0.23 0.00 0.00 178.00 179.72 2dn8 s SER 90 N -6.16 -0.01 -0.41 1.44 0.15 -1.26 -5.12 113.70 102.33 2dn8 s SER 90 Ca 0.03 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.69 2dn8 s SER 90 Cb 0.08 0.45 0.20 0.00 -1.71 0.00 0.00 66.02 65.05 2dn8 s SER 90 CO 0.65 -0.00 0.94 -0.75 1.20 0.00 0.00 173.24 175.28 2dn8 s LYS 91 N 0.44 0.55 -0.17 5.44 2.47 -1.26 -5.12 119.74 122.09 2dn8 s LYS 91 Ca 0.01 -0.52 -0.29 0.00 -1.56 0.00 0.00 55.97 53.61 2dn8 s LYS 91 Cb -0.04 -0.02 -0.04 0.00 -1.46 0.00 0.00 37.83 36.27 2dn8 s LYS 91 CO -0.13 -0.69 1.76 0.54 0.16 0.00 0.00 175.35 176.99 2dn8 s VAL 92 N 1.03 3.48 0.49 4.02 0.11 -1.26 -4.97 120.40 123.31 2dn8 s VAL 92 Ca 0.25 0.54 -0.17 0.00 -2.93 0.00 0.00 61.98 59.67 2dn8 s VAL 92 Cb 0.07 -3.48 -0.08 0.00 -1.53 0.00 0.00 36.38 31.35 2dn8 s VAL 92 CO -0.09 -0.19 0.97 -1.00 -3.33 0.00 0.00 175.10 171.46 2dn8 s HIS 93 N 5.50 3.43 -1.21 1.54 3.76 -1.26 -4.94 115.29 122.11 2dn8 s HIS 93 Ca 0.79 1.47 -0.20 0.00 -0.15 0.00 0.00 55.06 56.97 2dn8 s HIS 93 Cb -0.29 -2.78 -0.02 0.00 1.11 0.00 0.00 32.58 30.59 2dn8 s HIS 93 CO 0.32 -0.31 1.90 -0.35 -0.85 0.00 0.00 174.74 175.45 2dn8 n PRO 94 N -1.39 2.35 0.00 8.40 -0.04 -1.26 -4.71 135.00 138.35 2dn8 n PRO 94 Ca 0.06 -2.70 0.00 0.00 -0.04 0.00 0.00 63.50 60.82 2dn8 n PRO 94 Cb 0.54 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 2dn8 n PRO 94 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dn8 n SER 95 N 10.06 0.00 -1.62 3.54 7.64 -1.26 -5.18 113.62 126.80 2dn8 n SER 95 Ca 0.48 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2dn8 n SER 95 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.00 0.80 3.80 0.23 0.00 -1.26 -5.07 105.19 103.69 2dn8 n GLY 96 Ca 0.00 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.44 3.69 0.02 1.61 0.04 -1.26 -5.07 135.00 133.59 2dn8 s PRO 97 Ca 0.00 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.34 2dn8 s PRO 97 Cb 0.00 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 2dn8 s PRO 97 CO 0.00 -0.51 -0.01 0.45 0.04 0.00 0.00 177.00 176.97 2dn8 s SER 98 N -2.21 0.24 0.48 6.66 0.15 -1.26 -5.13 113.70 112.63 2dn8 s SER 98 Ca 0.66 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 56.60 2dn8 s SER 98 Cb -0.16 0.13 -0.14 0.00 -1.71 0.00 0.00 66.02 64.13 2dn8 s SER 98 CO 0.24 -0.34 0.05 -0.24 1.20 0.00 0.00 173.24 174.15 2dn8 n SER 99 N 1.41 -2.98 0.00 5.45 2.88 -1.26 -5.35 113.62 113.77 2dn8 n SER 99 Ca -0.23 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 2dn8 n SER 99 Cb 0.56 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42