#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 -7.91 0.20 1.61 7.64 -1.26 -5.03 113.62 108.87 2dn8 n SER 2 Ca 0.00 1.27 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2dn8 n SER 2 Cb 0.00 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.40 2dn8 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn8 n SER 3 N -4.34 -3.18 -1.29 6.43 7.64 -1.26 -5.17 113.62 112.45 2dn8 n SER 3 Ca -0.07 0.75 0.14 0.00 1.01 0.00 0.00 58.87 60.69 2dn8 n SER 3 Cb 0.67 3.03 -0.03 0.00 -1.01 0.00 0.00 64.21 66.87 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 -0.99 -1.56 3.16 0.23 0.00 -1.26 -4.98 105.19 99.79 2dn8 n GLY 4 Ca 0.00 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.00 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 -6.14 -0.06 -0.07 1.61 0.15 -1.26 -5.16 113.70 102.77 2dn8 s SER 5 Ca 0.00 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.74 2dn8 s SER 5 Cb 0.00 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 2dn8 s SER 5 CO 0.00 -0.01 -0.17 -0.55 1.20 0.00 0.00 173.24 173.70 2dn8 s SER 6 N 2.69 2.29 0.00 5.45 0.15 -1.26 -5.07 113.70 117.96 2dn8 s SER 6 Ca -0.07 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2dn8 s SER 6 Cb -0.06 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 2dn8 s SER 6 CO -0.10 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2dn8 n GLY 7 N 3.51 0.73 3.58 9.45 0.00 -1.26 -5.15 105.19 116.06 2dn8 n GLY 7 Ca -0.20 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.72 2dn8 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dn8 s THR 8 N -1.38 0.00 0.15 2.61 -1.32 -1.26 -5.17 115.64 109.27 2dn8 s THR 8 Ca 0.00 -0.13 0.08 0.00 -1.21 0.00 0.00 61.69 60.43 2dn8 s THR 8 Cb 0.00 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.67 2dn8 s THR 8 CO 0.00 0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.31 2dn8 s VAL 10 N -1.50 3.07 -0.36 0.00 1.01 -1.26 -4.83 120.40 116.54 2dn8 s VAL 10 Ca 0.23 0.32 -0.38 0.00 0.00 0.00 0.00 61.98 62.16 2dn8 s VAL 10 Cb -0.10 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.94 2dn8 s VAL 10 CO 0.14 -0.02 2.07 0.33 0.00 0.00 0.00 175.10 177.63 2dn8 n PHE 11 N 6.55 1.64 -3.58 5.22 7.35 -1.26 -4.88 117.46 128.50 2dn8 n PHE 11 Ca 0.18 0.42 -0.09 0.00 -0.76 0.00 0.00 57.45 57.20 2dn8 n PHE 11 Cb 0.41 -2.47 -0.02 0.00 0.35 0.00 0.00 39.48 37.75 2dn8 n PHE 11 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2dn8 s GLU 12 N 5.52 1.28 0.26 -4.13 2.12 -1.26 -5.12 118.70 117.37 2dn8 s GLU 12 Ca 1.09 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.84 2dn8 s GLU 12 Cb -1.02 0.52 0.00 0.00 0.26 0.00 0.00 34.13 33.89 2dn8 s GLU 12 CO 0.56 -0.57 0.00 1.63 -0.54 0.00 0.00 175.26 176.34 2dn8 n LYS 13 N -0.38 -4.08 -4.41 4.30 4.76 -1.26 -5.07 118.16 112.02 2dn8 n LYS 13 Ca -0.11 2.96 -0.20 0.00 -2.87 0.00 0.00 58.31 58.09 2dn8 n LYS 13 Cb 0.62 -3.21 -0.10 0.00 -1.84 0.00 0.00 35.03 30.50 2dn8 n LYS 13 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2dn8 s GLU 14 N -2.24 1.61 0.00 1.97 -1.05 -1.26 -4.88 118.70 112.85 2dn8 s GLU 14 Ca 0.00 -1.90 0.00 0.00 -0.15 0.00 0.00 54.97 52.92 2dn8 s GLU 14 Cb 0.00 -0.62 0.00 0.00 -0.44 0.00 0.00 34.13 33.07 2dn8 s GLU 14 CO 0.00 -0.27 0.00 -1.71 0.95 0.00 0.00 175.26 174.23 2dn8 n ASN 15 N -0.70 0.00 -2.91 0.83 5.15 -1.26 -4.79 115.26 111.58 2dn8 n ASN 15 Ca -0.02 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.95 2dn8 n ASN 15 Cb 0.66 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.90 2dn8 n ASN 15 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2dn8 n ASP 16 N 3.48 -6.27 0.00 1.20 9.92 -1.26 -4.79 116.55 118.83 2dn8 n ASP 16 Ca 0.00 1.01 0.12 0.00 -0.53 0.00 0.00 54.79 55.38 2dn8 n ASP 16 Cb 0.00 -3.51 0.68 0.00 -0.64 0.00 0.00 41.12 37.65 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 1.34 0.66 -1.14 -0.24 -0.04 -1.26 -2.75 135.00 131.56 2dn8 n PRO 17 Ca -0.07 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.24 2dn8 n PRO 17 Cb 0.28 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.06 2.91 -4.06 0.52 -2.24 -1.26 -4.92 114.28 104.17 2dn8 n THR 18 Ca 0.16 -2.71 -0.34 0.00 -2.27 0.00 0.00 64.05 58.89 2dn8 n THR 18 Cb 0.10 -0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 67.60 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 -3.66 2.54 -0.99 2.28 0.11 -1.11 0.48 120.40 120.04 2dn8 s VAL 19 Ca 0.52 -0.78 -0.20 0.00 -2.93 0.00 0.00 61.98 58.59 2dn8 s VAL 19 Cb 0.44 -2.10 0.10 0.00 -1.53 0.00 0.00 36.38 33.29 2dn8 s VAL 19 CO 0.03 0.50 1.30 -0.76 -3.33 0.00 0.00 175.10 172.84 2dn8 s LEU 20 N 1.34 4.36 0.66 2.54 1.43 0.49 -4.96 118.68 124.54 2dn8 s LEU 20 Ca 0.05 -1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 51.19 2dn8 s LEU 20 Cb -0.14 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 2dn8 s LEU 20 CO -0.09 -1.24 1.06 -0.13 0.23 0.00 0.00 176.35 176.18 2dn8 s ARG 21 N 3.66 3.22 -0.34 1.70 0.52 -1.26 -2.19 118.95 124.25 2dn8 s ARG 21 Ca 0.39 0.65 -0.29 0.00 -0.52 0.00 0.00 55.73 55.97 2dn8 s ARG 21 Cb -0.02 -2.05 0.02 0.00 0.52 0.00 0.00 34.95 33.42 2dn8 s ARG 21 CO -0.09 -0.82 1.11 0.45 0.02 0.00 0.00 175.30 175.97 2dn8 s SER 22 N -4.21 6.85 0.01 0.23 0.15 0.63 -4.86 113.70 112.50 2dn8 s SER 22 Ca 0.57 0.97 0.22 0.00 0.70 0.00 0.00 55.95 58.40 2dn8 s SER 22 Cb -0.11 -2.54 0.93 0.00 -1.71 0.00 0.00 66.02 62.58 2dn8 s SER 22 CO 0.53 -0.96 1.70 -0.81 1.20 0.00 0.00 173.24 174.89 2dn8 n PRO 23 N 7.08 0.01 -3.55 5.44 -0.04 -1.26 -1.95 135.00 140.73 2dn8 n PRO 23 Ca 0.12 0.13 -0.10 0.00 -0.04 0.00 0.00 63.50 63.61 2dn8 n PRO 23 Cb 0.47 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.38 2dn8 n PRO 23 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dn8 s SER 24 N -3.05 -0.38 1.32 3.54 0.01 -1.26 -4.88 113.70 108.99 2dn8 s SER 24 Ca 0.10 0.30 -0.19 0.00 1.31 0.00 0.00 55.95 57.47 2dn8 s SER 24 Cb 0.14 0.34 0.32 0.00 0.21 0.00 0.00 66.02 67.03 2dn8 s SER 24 CO 0.40 -0.44 0.78 0.00 0.41 0.00 0.00 173.24 174.39 2dn8 n ALA 25 N 0.43 -3.99 0.00 1.44 0.00 -1.26 -4.50 120.51 112.64 2dn8 n ALA 25 Ca -0.10 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.74 2dn8 n ALA 25 Cb 0.59 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.73 -0.12 3.48 0.00 0.00 0.36 -4.59 105.19 106.05 2dn8 n GLY 26 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.42 0.30 0.85 1.61 1.02 0.17 -2.28 119.74 119.98 2dn8 s LYS 27 Ca 0.00 0.66 -0.12 0.00 0.02 0.00 0.00 55.97 56.54 2dn8 s LYS 27 Cb 0.00 0.29 0.11 0.00 -0.52 0.00 0.00 37.83 37.71 2dn8 s LYS 27 CO 0.00 -0.09 1.17 -1.17 -0.92 0.00 0.00 175.35 174.34 2dn8 s LEU 28 N 2.02 3.01 0.28 3.17 2.96 -0.89 -1.01 118.68 128.22 2dn8 s LEU 28 Ca -0.05 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.09 2dn8 s LEU 28 Cb -0.05 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.07 2dn8 s LEU 28 CO -0.16 -2.79 0.00 0.35 -1.32 0.00 0.00 176.35 172.43 2dn8 n THR 29 N -3.72 0.05 -3.68 3.68 -2.24 -1.26 -3.80 114.28 103.32 2dn8 n THR 29 Ca 0.12 0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.87 2dn8 n THR 29 Cb 0.51 -0.55 0.02 0.00 -2.10 0.00 0.00 70.33 68.22 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 -3.46 0.77 -4.24 -0.78 10.64 -1.26 -4.53 117.38 114.52 2dn8 n GLN 30 Ca 0.00 -1.56 -0.25 0.00 -1.83 0.00 0.00 57.00 53.36 2dn8 n GLN 30 Cb 0.00 1.99 -0.08 0.00 -0.86 0.00 0.00 30.24 31.29 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 -3.41 2.59 -0.64 2.61 -0.85 -1.26 -3.11 117.35 113.28 2dn8 s TYR 31 Ca 0.14 -0.51 0.06 0.00 -0.52 0.00 0.00 57.07 56.25 2dn8 s TYR 31 Cb -0.03 -1.72 0.12 0.00 0.38 0.00 0.00 41.96 40.70 2dn8 s TYR 31 CO 0.08 0.34 0.95 0.25 -1.52 0.00 0.00 175.55 175.64 2dn8 n THR 32 N -1.10 0.56 -4.20 -3.49 -2.24 -0.49 -4.87 114.28 98.45 2dn8 n THR 32 Ca -0.03 -0.78 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 2dn8 n THR 32 Cb 0.63 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.54 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 -0.79 0.77 0.78 2.28 -7.23 -1.24 -4.91 120.40 110.06 2dn8 s VAL 33 Ca 0.11 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.28 2dn8 s VAL 33 Cb 0.06 -1.79 0.16 0.00 0.56 0.00 0.00 36.38 35.37 2dn8 s VAL 33 CO 0.08 -0.78 1.07 -1.84 -0.31 0.00 0.00 175.10 173.33 2dn8 n GLU 34 N -0.11 -0.35 -1.58 4.82 0.28 -1.26 -4.86 120.64 117.59 2dn8 n GLU 34 Ca -0.11 -2.60 -0.53 0.00 -0.16 0.00 0.00 57.16 53.77 2dn8 n GLU 34 Cb 0.61 -0.80 -0.06 0.00 1.43 0.00 0.00 31.44 32.62 2dn8 n GLU 34 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2dn8 n ASP 35 N -3.09 1.38 -3.60 -1.84 8.00 -1.26 0.52 116.55 116.66 2dn8 n ASP 35 Ca 0.17 1.13 -0.27 0.00 0.71 0.00 0.00 54.79 56.52 2dn8 n ASP 35 Cb 0.59 -1.15 0.02 0.00 -0.02 0.00 0.00 41.12 40.56 2dn8 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dn8 n GLY 36 N 2.36 -0.50 3.74 0.44 0.00 -1.22 -4.87 105.19 105.14 2dn8 n GLY 36 Ca 0.19 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.01 1.89 -0.21 -0.02 0.00 0.18 -4.64 107.32 101.52 2dn8 s GLY 37 Ca 0.53 1.52 -0.07 0.00 0.00 0.00 0.00 44.72 46.70 2dn8 s GLY 37 CO 0.65 2.59 0.06 -1.58 0.00 0.00 0.00 173.10 174.82 2dn8 s HIS 38 N 0.37 3.17 0.37 1.90 5.65 -1.26 0.97 115.29 126.45 2dn8 s HIS 38 Ca 0.66 -0.12 0.04 0.00 0.25 0.00 0.00 55.06 55.90 2dn8 s HIS 38 Cb -0.47 -2.13 -0.03 0.00 -1.18 0.00 0.00 32.58 28.77 2dn8 s HIS 38 CO 0.42 -0.04 0.16 0.14 -0.65 0.00 0.00 174.74 174.77 2dn8 s VAL 39 N 0.84 0.44 0.17 0.89 -7.23 -0.93 -5.01 120.40 109.58 2dn8 s VAL 39 Ca 0.03 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2dn8 s VAL 39 Cb -0.14 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.35 2dn8 s VAL 39 CO 0.02 0.00 0.29 -1.61 -0.31 0.00 0.00 175.10 173.49 2dn8 s GLU 40 N -3.69 3.39 -0.74 4.82 2.02 -1.26 -2.76 118.70 120.47 2dn8 s GLU 40 Ca 0.30 -0.66 -0.26 0.00 0.02 0.00 0.00 54.97 54.37 2dn8 s GLU 40 Cb 0.03 -2.92 -0.10 0.00 0.10 0.00 0.00 34.13 31.25 2dn8 s GLU 40 CO 0.18 0.50 2.28 0.00 0.02 0.00 0.00 175.26 178.23 2dn8 s ALA 41 N -1.80 1.18 0.00 5.21 0.00 -1.26 -0.37 121.76 124.72 2dn8 s ALA 41 Ca 0.34 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2dn8 s ALA 41 Cb -0.10 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.51 2dn8 s ALA 41 CO 0.28 -5.26 0.00 0.41 0.00 0.00 0.00 175.76 171.19 2dn8 n GLY 42 N 6.57 1.18 1.34 0.00 0.00 -1.20 -4.85 105.19 108.23 2dn8 n GLY 42 Ca 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.76 -4.29 1.61 7.64 0.51 -4.76 113.62 112.57 2dn8 n SER 43 Ca 0.00 -0.66 -0.32 0.00 1.01 0.00 0.00 58.87 58.89 2dn8 n SER 43 Cb 0.00 -0.39 -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 -2.61 3.37 0.00 6.43 1.04 -1.26 -3.19 113.70 117.47 2dn8 s SER 44 Ca 0.27 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.25 2dn8 s SER 44 Cb -0.03 -1.26 -0.01 0.00 0.10 0.00 0.00 66.02 64.82 2dn8 s SER 44 CO 0.21 0.20 0.08 0.00 0.98 0.00 0.00 173.24 174.71 2dn8 n TYR 45 N 3.28 0.00 -3.87 5.02 0.18 -0.35 -4.72 117.16 116.70 2dn8 n TYR 45 Ca -0.18 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.59 2dn8 n TYR 45 Cb 0.53 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 -0.97 -2.36 -2.58 -3.48 0.00 -1.04 -1.40 120.51 108.69 2dn8 n ALA 46 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 2dn8 n ALA 46 Cb 0.02 0.30 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.03 1.47 0.12 0.00 2.02 -1.18 0.12 118.70 119.22 2dn8 s GLU 47 Ca 0.20 -1.60 -0.14 0.00 0.02 0.00 0.00 54.97 53.45 2dn8 s GLU 47 Cb -0.01 0.36 0.02 0.00 0.10 0.00 0.00 34.13 34.60 2dn8 s GLU 47 CO 0.02 -0.55 0.34 0.00 0.02 0.00 0.00 175.26 175.09 2dn8 s MET 48 N -3.86 1.01 -0.18 1.61 0.23 0.33 -4.08 119.30 114.36 2dn8 s MET 48 Ca 0.34 -0.78 -0.00 0.00 -1.03 0.00 0.00 55.69 54.21 2dn8 s MET 48 Cb 0.03 0.44 0.01 0.00 -1.53 0.00 0.00 34.83 33.77 2dn8 s MET 48 CO 0.14 -0.38 -0.16 -2.00 -2.03 0.00 0.00 175.02 170.60 2dn8 s GLU 49 N -3.82 3.14 -0.03 3.16 2.12 -0.18 0.16 118.70 123.25 2dn8 s GLU 49 Ca 0.04 -0.77 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 2dn8 s GLU 49 Cb 0.03 -2.66 0.01 0.00 0.26 0.00 0.00 34.13 31.76 2dn8 s GLU 49 CO -0.12 -0.12 0.10 0.54 -0.54 0.00 0.00 175.26 175.13 2dn8 s VAL 50 N 1.13 0.02 -1.51 3.70 0.11 0.49 0.44 120.40 124.79 2dn8 s VAL 50 Ca 0.01 -0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 58.80 2dn8 s VAL 50 Cb -0.14 -0.20 0.07 0.00 -1.53 0.00 0.00 36.38 34.58 2dn8 s VAL 50 CO -0.06 -0.09 0.78 0.23 -3.33 0.00 0.00 175.10 172.63 2dn8 n MET 51 N 2.70 -4.43 -1.58 1.54 2.81 -1.26 0.14 117.12 117.04 2dn8 n MET 51 Ca -0.15 0.51 -0.20 0.00 -1.81 0.00 0.00 57.70 56.05 2dn8 n MET 51 Cb 0.58 -5.16 -0.09 0.00 -0.71 0.00 0.00 33.22 27.85 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 -1.46 -4.57 0.03 5.02 -1.26 -4.94 118.16 106.48 2dn8 n LYS 52 Ca -0.07 1.19 -0.26 0.00 -2.02 0.00 0.00 58.31 57.15 2dn8 n LYS 52 Cb 0.57 -5.57 -0.14 0.00 -0.02 0.00 0.00 35.03 29.87 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 -3.69 1.35 -0.18 1.97 -1.94 0.37 -5.13 119.30 112.05 2dn8 s MET 53 Ca 0.00 -1.01 -0.12 0.00 -1.71 0.00 0.00 55.69 52.84 2dn8 s MET 53 Cb 0.00 -1.52 -0.05 0.00 2.01 0.00 0.00 34.83 35.28 2dn8 s MET 53 CO 0.00 0.38 0.23 0.42 -0.01 0.00 0.00 175.02 176.04 2dn8 s ILE 54 N -0.89 5.34 -0.01 2.53 -1.09 -1.26 0.19 121.20 126.00 2dn8 s ILE 54 Ca 0.08 0.41 0.06 0.00 -2.23 0.00 0.00 60.65 58.97 2dn8 s ILE 54 Cb -0.09 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 2dn8 s ILE 54 CO 0.02 0.40 -0.20 -0.32 -1.23 0.00 0.00 174.94 173.61 2dn8 s MET 55 N 0.52 1.58 0.40 2.79 -2.45 0.42 -4.96 119.30 117.60 2dn8 s MET 55 Ca 0.13 -0.72 -0.21 0.00 -1.25 0.00 0.00 55.69 53.64 2dn8 s MET 55 Cb -0.12 -1.53 -0.11 0.00 1.25 0.00 0.00 34.83 34.32 2dn8 s MET 55 CO 0.02 0.42 0.93 0.99 1.05 0.00 0.00 175.02 178.43 2dn8 s THR 56 N -0.48 4.38 -0.34 10.11 2.01 -1.26 0.12 115.64 130.18 2dn8 s THR 56 Ca 0.08 1.51 -0.01 0.00 0.31 0.00 0.00 61.69 63.57 2dn8 s THR 56 Cb -0.08 -3.67 0.08 0.00 0.01 0.00 0.00 72.50 68.84 2dn8 s THR 56 CO -0.01 -0.23 0.07 -0.76 -0.69 0.00 0.00 174.62 173.00 2dn8 s LEU 57 N -2.98 4.45 0.47 4.42 1.43 0.31 -4.82 118.68 121.96 2dn8 s LEU 57 Ca 0.59 -1.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 2dn8 s LEU 57 Cb -0.11 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.39 2dn8 s LEU 57 CO 0.15 -0.37 0.67 0.54 0.23 0.00 0.00 176.35 177.57 2dn8 s ASN 58 N 1.39 5.64 0.07 2.29 2.20 -1.25 -1.21 114.94 124.08 2dn8 s ASN 58 Ca 0.01 0.06 -0.20 0.00 -0.94 0.00 0.00 52.86 51.80 2dn8 s ASN 58 Cb -0.21 -1.19 -0.07 0.00 -2.00 0.00 0.00 41.25 37.78 2dn8 s ASN 58 CO -0.03 -0.82 0.58 0.68 -2.94 0.00 0.00 177.10 174.57 2dn8 s VAL 59 N -2.56 4.72 0.24 3.54 -7.23 -1.19 -4.87 120.40 113.06 2dn8 s VAL 59 Ca 0.52 1.25 0.19 0.00 -1.81 0.00 0.00 61.98 62.12 2dn8 s VAL 59 Cb -0.10 -3.91 0.14 0.00 0.56 0.00 0.00 36.38 33.07 2dn8 s VAL 59 CO 0.37 0.55 1.79 -0.61 -0.31 0.00 0.00 175.10 176.89 2dn8 h GLN 60 N 4.58 0.00 -2.40 4.82 4.15 -1.95 -3.17 115.11 121.13 2dn8 h GLN 60 Ca -0.49 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 58.87 2dn8 h GLN 60 Cb 1.21 0.00 -0.25 0.00 0.21 0.00 0.00 27.48 28.65 2dn8 h GLN 60 CO 0.64 0.35 -0.22 -1.21 -1.93 0.00 0.00 178.83 176.45 2dn8 s GLU 61 N -3.79 0.47 0.48 1.69 2.02 -1.26 -4.89 118.70 113.42 2dn8 s GLU 61 Ca -0.01 1.01 -0.15 0.00 0.02 0.00 0.00 54.97 55.84 2dn8 s GLU 61 Cb 0.12 0.18 -0.13 0.00 0.10 0.00 0.00 34.13 34.40 2dn8 s GLU 61 CO 0.68 -0.18 -0.18 2.89 0.02 0.00 0.00 175.26 178.49 2dn8 n ARG 62 N 4.65 0.00 0.00 1.61 1.85 -1.26 -4.76 116.66 118.74 2dn8 n ARG 62 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2dn8 n ARG 62 Cb 0.54 -0.84 0.00 0.00 -1.05 0.00 0.00 32.46 31.11 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 2.22 -0.26 3.14 2.89 0.00 -1.11 -4.61 105.19 107.46 2dn8 n GLY 63 Ca 0.06 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.99 2.59 0.04 1.61 0.52 -0.67 -2.18 118.95 118.86 2dn8 s ARG 64 Ca 0.00 -0.71 -0.18 0.00 -0.52 0.00 0.00 55.73 54.32 2dn8 s ARG 64 Cb 0.00 -2.02 -0.06 0.00 0.52 0.00 0.00 34.95 33.39 2dn8 s ARG 64 CO 0.00 0.09 0.52 0.08 0.02 0.00 0.00 175.30 176.01 2dn8 s VAL 65 N 0.54 4.85 0.02 3.52 1.01 0.27 -1.62 120.40 128.99 2dn8 s VAL 65 Ca -0.15 1.10 0.02 0.00 0.00 0.00 0.00 61.98 62.95 2dn8 s VAL 65 Cb -0.17 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2dn8 s VAL 65 CO 0.05 0.55 -0.08 -0.75 0.00 0.00 0.00 175.10 174.87 2dn8 s LYS 66 N -0.99 0.58 -0.33 2.72 2.47 -1.20 -2.71 119.74 120.27 2dn8 s LYS 66 Ca 0.27 -0.48 -0.26 0.00 -1.56 0.00 0.00 55.97 53.94 2dn8 s LYS 66 Cb -0.18 -0.49 0.01 0.00 -1.46 0.00 0.00 37.83 35.70 2dn8 s LYS 66 CO 0.17 0.12 0.94 -0.47 0.16 0.00 0.00 175.35 176.27 2dn8 s TYR 67 N -0.66 3.14 -0.16 4.03 5.04 -1.26 -3.72 117.35 123.76 2dn8 s TYR 67 Ca -0.02 0.93 -0.14 0.00 -2.44 0.00 0.00 57.07 55.40 2dn8 s TYR 67 Cb -0.06 -3.54 -0.05 0.00 0.35 0.00 0.00 41.96 38.66 2dn8 s TYR 67 CO 0.00 -0.73 -0.27 -0.89 -1.34 0.00 0.00 175.55 172.31 2dn8 n ILE 68 N 5.82 1.38 -3.25 3.14 2.08 -1.22 -4.96 119.36 122.34 2dn8 n ILE 68 Ca 0.08 0.19 -0.35 0.00 0.56 0.00 0.00 62.75 63.22 2dn8 n ILE 68 Cb 0.48 -2.31 -0.06 0.00 -0.75 0.00 0.00 39.64 37.00 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 -2.58 4.06 0.80 0.38 -0.14 -1.12 -5.05 119.74 116.09 2dn8 s LYS 69 Ca -0.23 0.62 -0.12 0.00 -1.36 0.00 0.00 55.97 54.88 2dn8 s LYS 69 Cb 0.03 -2.86 0.08 0.00 -1.68 0.00 0.00 37.83 33.40 2dn8 s LYS 69 CO 0.34 0.41 1.15 1.03 -0.76 0.00 0.00 175.35 177.52 2dn8 s ARG 70 N -2.09 1.84 -0.35 1.68 3.00 -1.26 -4.92 118.95 116.85 2dn8 s ARG 70 Ca 0.41 1.50 -0.29 0.00 0.00 0.00 0.00 55.73 57.36 2dn8 s ARG 70 Cb -0.15 -1.82 0.00 0.00 0.00 0.00 0.00 34.95 32.98 2dn8 s ARG 70 CO 0.20 -2.01 1.38 -1.25 0.00 0.00 0.00 175.30 173.62 2dn8 s PRO 71 N -4.43 3.73 0.00 3.54 0.04 -1.26 -2.80 135.00 133.82 2dn8 s PRO 71 Ca 0.68 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2dn8 s PRO 71 Cb -0.23 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2dn8 s PRO 71 CO 0.52 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.61 2dn8 n GLY 72 N 4.72 0.71 3.62 0.56 0.00 -1.25 -4.94 105.19 108.62 2dn8 n GLY 72 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.18 0.82 0.01 4.61 0.00 -1.12 -4.75 121.76 120.16 2dn8 s ALA 73 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 2dn8 s ALA 73 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2dn8 s ALA 73 CO 0.00 -3.00 0.57 0.54 0.00 0.00 0.00 175.76 173.87 2dn8 s VAL 74 N -2.67 4.88 -0.31 0.00 0.11 -1.26 -2.09 120.40 119.06 2dn8 s VAL 74 Ca 0.66 1.20 -0.11 0.00 -2.93 0.00 0.00 61.98 60.80 2dn8 s VAL 74 Cb -0.22 -3.90 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 2dn8 s VAL 74 CO 0.60 0.46 0.20 -0.76 -3.33 0.00 0.00 175.10 172.26 2dn8 s LEU 75 N -0.45 4.21 0.17 2.54 2.01 -0.97 -4.85 118.68 121.34 2dn8 s LEU 75 Ca 0.30 -0.31 0.10 0.00 0.01 0.00 0.00 54.13 54.23 2dn8 s LEU 75 Cb -0.18 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 43.89 2dn8 s LEU 75 CO 0.17 -0.16 -0.21 -1.61 1.01 0.00 0.00 176.35 175.55 2dn8 s GLU 76 N 1.70 1.36 0.17 1.70 2.02 -1.26 0.13 118.70 124.52 2dn8 s GLU 76 Ca 0.06 -1.43 -0.32 0.00 0.02 0.00 0.00 54.97 53.31 2dn8 s GLU 76 Cb -0.17 -1.54 -0.11 0.00 0.10 0.00 0.00 34.13 32.41 2dn8 s GLU 76 CO 0.09 0.33 1.72 0.00 0.02 0.00 0.00 175.26 177.42 2dn8 s ALA 77 N -1.80 3.85 -0.55 5.21 0.00 -1.26 -2.92 121.76 124.29 2dn8 s ALA 77 Ca 0.17 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 2dn8 s ALA 77 Cb -0.07 -3.70 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 2dn8 s ALA 77 CO 0.08 -1.00 0.48 0.41 0.00 0.00 0.00 175.76 175.73 2dn8 n GLY 78 N 4.02 -0.13 3.31 0.00 0.00 -0.82 -4.99 105.19 106.57 2dn8 n GLY 78 Ca 0.16 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.70 5.20 0.14 0.00 0.11 -1.26 -0.27 120.40 120.62 2dn8 s VAL 80 Ca 0.37 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.56 2dn8 s VAL 80 Cb 0.05 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 2dn8 s VAL 80 CO 0.17 0.19 0.00 0.52 -3.33 0.00 0.00 175.10 172.65 2dn8 n VAL 81 N 0.56 0.25 -3.78 2.04 0.31 -0.93 -4.78 118.33 111.99 2dn8 n VAL 81 Ca -0.06 0.08 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 2dn8 n VAL 81 Cb 0.52 -0.86 -0.02 0.00 -0.91 0.00 0.00 33.84 32.57 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 -1.20 0.31 3.52 0.00 -1.13 -2.78 121.76 118.49 2dn8 s ALA 82 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 51.85 2dn8 s ALA 82 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 2dn8 s ALA 82 CO 0.00 -0.96 0.10 1.03 0.00 0.00 0.00 175.76 175.93 2dn8 s ARG 83 N -3.89 2.38 0.01 0.00 3.00 -1.24 0.18 118.95 119.38 2dn8 s ARG 83 Ca 0.10 -1.49 0.06 0.00 0.00 0.00 0.00 55.73 54.40 2dn8 s ARG 83 Cb -0.04 -2.19 -0.03 0.00 0.00 0.00 0.00 34.95 32.69 2dn8 s ARG 83 CO 0.03 0.20 -0.15 -1.17 0.00 0.00 0.00 175.30 174.21 2dn8 s LEU 84 N -3.79 2.74 -0.41 2.53 1.98 0.18 -3.25 118.68 118.66 2dn8 s LEU 84 Ca 0.35 -0.32 0.04 0.00 -2.89 0.00 0.00 54.13 51.32 2dn8 s LEU 84 Cb -0.04 -1.59 0.11 0.00 0.66 0.00 0.00 46.19 45.33 2dn8 s LEU 84 CO 0.22 0.28 0.14 -0.70 -1.89 0.00 0.00 176.35 174.40 2dn8 s GLU 85 N -1.26 1.62 0.00 1.98 2.12 -0.64 -4.81 118.70 117.72 2dn8 s GLU 85 Ca 0.14 -2.13 -0.37 0.00 0.36 0.00 0.00 54.97 52.98 2dn8 s GLU 85 Cb -0.11 -3.15 -0.15 0.00 0.26 0.00 0.00 34.13 30.98 2dn8 s GLU 85 CO 0.05 -1.02 1.54 1.28 -0.54 0.00 0.00 175.26 176.57 2dn8 n LEU 86 N 3.81 2.34 -0.24 2.70 4.77 -1.26 -1.67 117.00 127.44 2dn8 n LEU 86 Ca 0.04 1.08 0.12 0.00 -0.03 0.00 0.00 56.01 57.23 2dn8 n LEU 86 Cb 0.38 -1.25 0.28 0.00 -2.33 0.00 0.00 43.42 40.50 2dn8 n LEU 86 CO 0.26 -0.63 0.54 -0.90 -1.33 0.00 0.00 177.39 175.33 2dn8 n ASP 87 N 3.81 1.10 -3.39 -1.43 5.75 -1.26 -4.58 116.55 116.55 2dn8 n ASP 87 Ca 0.20 -0.90 -0.20 0.00 -0.01 0.00 0.00 54.79 53.88 2dn8 n ASP 87 Cb 0.21 0.24 -0.09 0.00 -1.03 0.00 0.00 41.12 40.45 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2dn8 s ASP 88 N -2.59 1.62 1.01 -1.12 -1.08 -1.26 -5.13 116.67 108.11 2dn8 s ASP 88 Ca 0.21 -1.73 -0.01 0.00 -0.52 0.00 0.00 52.55 50.49 2dn8 s ASP 88 Cb 0.19 0.32 0.02 0.00 -1.46 0.00 0.00 42.92 41.99 2dn8 s ASP 88 CO 0.57 -0.27 0.09 -0.81 0.52 0.00 0.00 175.17 175.27 2dn8 n PRO 89 N 4.19 -0.64 0.06 4.34 -0.04 -1.26 -5.03 135.00 136.62 2dn8 n PRO 89 Ca 0.11 -0.15 -0.03 0.00 -0.04 0.00 0.00 63.50 63.39 2dn8 n PRO 89 Cb 0.43 -0.12 -0.01 0.00 -0.04 0.00 0.00 33.50 33.76 2dn8 n PRO 89 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dn8 h SER 90 N -0.64 -0.17 0.00 3.54 0.87 -2.01 -3.49 113.55 111.65 2dn8 h SER 90 Ca -0.03 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2dn8 h SER 90 Cb 0.10 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2dn8 h SER 90 CO 0.02 0.11 0.00 1.17 -0.53 0.00 0.00 176.83 177.61 2dn8 n LYS 91 N -3.87 2.28 -2.87 2.24 4.81 -1.26 -5.04 118.16 114.45 2dn8 n LYS 91 Ca -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.39 2dn8 n LYS 91 Cb 0.08 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.13 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2dn8 n VAL 92 N 0.00 -9.48 -4.10 3.15 0.31 -1.26 -5.04 118.33 101.91 2dn8 n VAL 92 Ca 0.00 1.40 -0.11 0.00 -0.01 0.00 0.00 64.34 65.62 2dn8 n VAL 92 Cb 0.00 -5.99 -0.11 0.00 -0.91 0.00 0.00 33.84 26.83 2dn8 n VAL 92 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2dn8 s HIS 93 N -1.59 0.71 -1.23 3.52 3.76 -1.26 -4.98 115.29 114.22 2dn8 s HIS 93 Ca 0.04 -0.71 -0.21 0.00 -0.15 0.00 0.00 55.06 54.04 2dn8 s HIS 93 Cb -0.01 -0.43 -0.01 0.00 1.11 0.00 0.00 32.58 33.25 2dn8 s HIS 93 CO 0.62 -0.14 1.83 -1.25 -0.85 0.00 0.00 174.74 174.94 2dn8 s PRO 94 N -2.62 3.24 0.14 8.40 0.04 -1.26 -4.92 135.00 138.02 2dn8 s PRO 94 Ca -0.01 -1.54 0.08 0.00 0.04 0.00 0.00 61.00 59.58 2dn8 s PRO 94 Cb -0.03 -5.38 -0.04 0.00 0.04 0.00 0.00 34.50 29.09 2dn8 s PRO 94 CO -0.03 -3.09 -0.13 -1.54 0.04 0.00 0.00 177.00 172.25 2dn8 s SER 95 N 5.40 4.12 0.00 6.66 1.04 -1.26 -5.13 113.70 124.54 2dn8 s SER 95 Ca 0.61 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2dn8 s SER 95 Cb 0.01 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.46 2dn8 s SER 95 CO 0.10 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2dn8 n GLY 96 N 0.51 0.78 3.82 7.32 0.00 -1.26 -5.09 105.19 111.28 2dn8 n GLY 96 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 3.79 3.01 -0.13 1.61 0.04 -1.26 -5.07 135.00 136.99 2dn8 s PRO 97 Ca 0.00 0.98 -0.31 0.00 0.04 0.00 0.00 61.00 61.71 2dn8 s PRO 97 Cb 0.00 -2.00 0.13 0.00 0.04 0.00 0.00 34.50 32.67 2dn8 s PRO 97 CO 0.00 -1.04 1.05 -1.12 0.04 0.00 0.00 177.00 175.93 2dn8 s SER 98 N -3.66 -0.27 0.47 6.66 0.01 -1.26 -5.16 113.70 110.50 2dn8 s SER 98 Ca 0.59 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2dn8 s SER 98 Cb -0.14 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2dn8 s SER 98 CO 0.52 -0.38 0.00 -1.20 0.41 0.00 0.00 173.24 172.60 2dn8 n SER 99 N 0.17 -6.17 0.00 2.44 7.64 -1.26 -5.33 113.62 111.11 2dn8 n SER 99 Ca -0.06 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2dn8 n SER 99 Cb 0.59 -3.84 0.00 0.00 -1.01 0.00 0.00 64.21 59.95 2dn8 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64