#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 -0.41 0.42 1.61 1.04 -1.26 -5.14 113.70 109.97 2dn8 s SER 2 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2dn8 s SER 2 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2dn8 s SER 2 CO 0.00 -1.11 0.00 -1.20 0.98 0.00 0.00 173.24 171.91 2dn8 n SER 3 N -0.40 -6.19 0.00 7.02 7.64 -1.26 -5.07 113.62 115.36 2dn8 n SER 3 Ca -0.12 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2dn8 n SER 3 Cb 0.63 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.45 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 -2.07 0.66 3.51 0.23 0.00 -1.26 -5.17 105.19 101.10 2dn8 n GLY 4 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 2dn8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn8 s SER 5 N 0.00 -0.41 -0.36 1.61 0.15 -1.26 -5.14 113.70 108.30 2dn8 s SER 5 Ca 0.00 -0.06 0.07 0.00 0.70 0.00 0.00 55.95 56.66 2dn8 s SER 5 Cb 0.00 0.47 0.19 0.00 -1.71 0.00 0.00 66.02 64.97 2dn8 s SER 5 CO 0.00 -0.78 0.61 -0.55 1.20 0.00 0.00 173.24 173.72 2dn8 s SER 6 N -2.62 -1.52 0.00 5.45 0.15 -1.26 -5.11 113.70 108.79 2dn8 s SER 6 Ca 0.05 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.33 2dn8 s SER 6 Cb -0.01 1.97 0.00 0.00 -1.71 0.00 0.00 66.02 66.26 2dn8 s SER 6 CO -0.09 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2dn8 n GLY 7 N 4.86 0.56 3.64 9.45 0.00 -1.26 -5.14 105.19 117.30 2dn8 n GLY 7 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 1.72 0.00 -0.10 2.61 -1.32 -1.26 -5.13 115.64 112.16 2dn8 s THR 8 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 2dn8 s THR 8 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 2dn8 s THR 8 CO 0.00 0.00 1.12 0.00 -2.21 0.00 0.00 174.62 173.53 2dn8 s VAL 10 N 2.35 4.66 -0.15 0.00 1.01 -1.26 -4.65 120.40 122.37 2dn8 s VAL 10 Ca 0.52 -1.54 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 2dn8 s VAL 10 Cb -0.21 -4.81 0.01 0.00 0.00 0.00 0.00 36.38 31.37 2dn8 s VAL 10 CO 0.18 -1.55 0.07 0.33 0.00 0.00 0.00 175.10 174.14 2dn8 n PHE 11 N 6.73 -2.55 -3.57 5.22 -0.00 -1.26 -5.05 117.46 116.98 2dn8 n PHE 11 Ca 0.25 1.31 -0.09 0.00 -0.00 0.00 0.00 57.45 58.93 2dn8 n PHE 11 Cb 0.49 -2.79 -0.04 0.00 -0.00 0.00 0.00 39.48 37.14 2dn8 n PHE 11 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2dn8 s GLU 12 N -0.91 0.58 0.28 -4.13 2.12 -1.26 -5.16 118.70 110.21 2dn8 s GLU 12 Ca -0.09 0.03 -0.14 0.00 0.36 0.00 0.00 54.97 55.14 2dn8 s GLU 12 Cb 0.01 0.27 -0.08 0.00 0.26 0.00 0.00 34.13 34.59 2dn8 s GLU 12 CO 0.48 -0.20 0.66 0.15 -0.54 0.00 0.00 175.26 175.80 2dn8 s LYS 13 N -1.60 3.95 0.02 4.30 1.02 -1.26 -5.07 119.74 121.10 2dn8 s LYS 13 Ca 0.01 0.55 -0.01 0.00 0.02 0.00 0.00 55.97 56.54 2dn8 s LYS 13 Cb -0.01 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.70 2dn8 s LYS 13 CO -0.02 0.24 0.15 -1.83 -0.92 0.00 0.00 175.35 172.98 2dn8 s GLU 14 N -2.80 3.26 -0.02 1.68 -1.05 -1.26 -5.11 118.70 113.41 2dn8 s GLU 14 Ca 0.50 -0.44 -0.25 0.00 -0.15 0.00 0.00 54.97 54.63 2dn8 s GLU 14 Cb -0.11 -2.97 0.05 0.00 -0.44 0.00 0.00 34.13 30.66 2dn8 s GLU 14 CO 0.19 0.64 0.55 1.21 0.95 0.00 0.00 175.26 178.80 2dn8 s ASN 15 N -2.08 -0.49 0.00 0.83 2.47 -1.26 -5.16 114.94 109.25 2dn8 s ASN 15 Ca 0.28 0.44 0.00 0.00 0.42 0.00 0.00 52.86 54.00 2dn8 s ASN 15 Cb -0.12 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.14 2dn8 s ASN 15 CO 0.20 -0.59 0.00 0.47 -3.72 0.00 0.00 177.10 173.46 2dn8 n ASP 16 N 0.91 0.00 0.15 -4.21 9.92 -1.26 -5.03 116.55 117.03 2dn8 n ASP 16 Ca -0.20 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.08 2dn8 n ASP 16 Cb 0.57 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 41.22 2dn8 n ASP 16 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2dn8 h PRO 17 N 0.00 0.00 -0.30 -0.24 0.13 -2.00 -3.22 132.00 126.37 2dn8 h PRO 17 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2dn8 h PRO 17 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dn8 h PRO 17 CO 0.00 0.55 0.16 1.79 -0.23 0.00 0.00 178.00 180.26 2dn8 h THR 18 N 0.00 1.00 -2.74 1.56 1.35 -1.97 -3.36 112.91 108.76 2dn8 h THR 18 Ca -0.01 -0.11 -0.61 0.00 -0.55 0.00 0.00 66.41 65.13 2dn8 h THR 18 Cb 1.18 0.65 -0.13 0.00 -1.73 0.00 0.00 68.15 68.11 2dn8 h THR 18 CO 0.07 0.06 0.61 0.54 -0.25 0.00 0.00 175.52 176.55 2dn8 s VAL 19 N -6.17 4.27 -1.05 6.82 0.11 -1.22 0.18 120.40 123.35 2dn8 s VAL 19 Ca -0.13 -0.14 -0.23 0.00 -2.93 0.00 0.00 61.98 58.55 2dn8 s VAL 19 Cb 0.10 -4.68 -0.01 0.00 -1.53 0.00 0.00 36.38 30.26 2dn8 s VAL 19 CO 0.71 -1.43 1.78 -0.76 -3.33 0.00 0.00 175.10 172.06 2dn8 s LEU 20 N 4.23 3.34 0.66 2.54 1.43 -0.71 -4.81 118.68 125.36 2dn8 s LEU 20 Ca 0.25 -1.37 -0.12 0.00 -1.03 0.00 0.00 54.13 51.87 2dn8 s LEU 20 Cb -0.15 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 2dn8 s LEU 20 CO 0.13 -2.24 1.05 -0.13 0.23 0.00 0.00 176.35 175.38 2dn8 s ARG 21 N 5.92 3.17 -0.32 1.70 1.81 -1.26 -2.66 118.95 127.32 2dn8 s ARG 21 Ca 0.61 0.95 -0.29 0.00 -1.72 0.00 0.00 55.73 55.27 2dn8 s ARG 21 Cb -0.02 -2.02 0.01 0.00 -0.45 0.00 0.00 34.95 32.47 2dn8 s ARG 21 CO 0.01 -0.91 1.11 0.45 -0.68 0.00 0.00 175.30 175.27 2dn8 s SER 22 N -3.71 6.90 0.33 0.23 0.15 0.25 -4.88 113.70 112.97 2dn8 s SER 22 Ca 0.58 1.07 0.26 0.00 0.70 0.00 0.00 55.95 58.57 2dn8 s SER 22 Cb -0.13 -2.54 0.89 0.00 -1.71 0.00 0.00 66.02 62.52 2dn8 s SER 22 CO 0.51 -0.91 1.77 1.55 1.20 0.00 0.00 173.24 177.36 2dn8 h PRO 23 N 8.25 0.00 -2.35 5.44 0.13 -1.89 -0.06 132.00 141.52 2dn8 h PRO 23 Ca -0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.86 2dn8 h PRO 23 Cb 1.07 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.02 2dn8 h PRO 23 CO 1.03 0.00 0.15 0.45 -0.23 0.00 0.00 178.00 179.41 2dn8 s SER 24 N -4.95 -0.59 1.09 1.44 0.15 -1.26 -4.82 113.70 104.76 2dn8 s SER 24 Ca 0.06 0.47 -0.12 0.00 0.70 0.00 0.00 55.95 57.06 2dn8 s SER 24 Cb 0.09 0.54 0.24 0.00 -1.71 0.00 0.00 66.02 65.18 2dn8 s SER 24 CO 0.54 -0.69 1.06 0.00 1.20 0.00 0.00 173.24 175.34 2dn8 s ALA 25 N -1.89 0.12 0.00 5.45 0.00 -1.26 -4.46 121.76 119.72 2dn8 s ALA 25 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.82 2dn8 s ALA 25 Cb -0.00 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2dn8 s ALA 25 CO 0.04 -3.46 0.00 0.41 0.00 0.00 0.00 175.76 172.74 2dn8 n GLY 26 N 0.31 -0.55 2.79 0.00 0.00 0.37 -4.63 105.19 103.47 2dn8 n GLY 26 Ca 0.05 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.54 0.22 0.61 1.61 2.20 0.17 0.23 119.74 123.23 2dn8 s LYS 27 Ca 0.00 0.28 -0.18 0.00 -0.36 0.00 0.00 55.97 55.71 2dn8 s LYS 27 Cb 0.00 -1.03 -0.05 0.00 -1.51 0.00 0.00 37.83 35.24 2dn8 s LYS 27 CO 0.00 -0.64 0.93 -0.11 -0.36 0.00 0.00 175.35 175.17 2dn8 n LEU 28 N 5.33 3.53 0.00 5.43 7.94 -0.98 -1.04 117.00 137.20 2dn8 n LEU 28 Ca -0.05 0.79 0.00 0.00 -1.11 0.00 0.00 56.01 55.64 2dn8 n LEU 28 Cb 0.50 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.07 2dn8 n LEU 28 CO 0.08 -1.97 0.00 0.35 -1.11 0.00 0.00 177.39 174.73 2dn8 n THR 29 N -1.80 0.00 -3.41 1.96 -2.24 -1.25 -3.21 114.28 104.32 2dn8 n THR 29 Ca 0.14 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.88 2dn8 n THR 29 Cb 0.48 -0.51 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 n GLN 30 N -2.11 0.47 -4.16 -0.78 10.64 -1.26 -4.41 117.38 115.77 2dn8 n GLN 30 Ca 0.00 -1.02 -0.24 0.00 -1.83 0.00 0.00 57.00 53.91 2dn8 n GLN 30 Cb 0.00 1.21 -0.07 0.00 -0.86 0.00 0.00 30.24 30.52 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 -5.72 2.62 0.00 2.61 -0.85 -1.26 -2.81 117.35 111.94 2dn8 s TYR 31 Ca 0.08 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 56.11 2dn8 s TYR 31 Cb -0.02 -1.82 0.00 0.00 0.38 0.00 0.00 41.96 40.50 2dn8 s TYR 31 CO 0.06 0.26 0.80 0.25 -1.52 0.00 0.00 175.55 175.40 2dn8 n THR 32 N -1.17 0.62 -4.40 -3.49 -2.24 0.12 -4.88 114.28 98.85 2dn8 n THR 32 Ca -0.02 -0.78 -0.20 0.00 -2.27 0.00 0.00 64.05 60.78 2dn8 n THR 32 Cb 0.64 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.62 1.70 0.76 2.28 -7.23 -1.24 -4.95 120.40 111.10 2dn8 s VAL 33 Ca 0.00 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.00 2dn8 s VAL 33 Cb 0.00 -2.31 0.15 0.00 0.56 0.00 0.00 36.38 34.78 2dn8 s VAL 33 CO 0.00 -0.40 1.04 -1.83 -0.31 0.00 0.00 175.10 173.60 2dn8 s GLU 34 N -3.69 1.47 -0.14 4.82 -1.05 -1.26 -4.85 118.70 113.99 2dn8 s GLU 34 Ca 0.27 -1.21 -0.39 0.00 -0.15 0.00 0.00 54.97 53.49 2dn8 s GLU 34 Cb 0.02 -2.30 -0.17 0.00 -0.44 0.00 0.00 34.13 31.24 2dn8 s GLU 34 CO 0.10 -1.61 1.54 -3.47 0.95 0.00 0.00 175.26 172.77 2dn8 n ASP 35 N -2.94 1.85 -3.32 0.83 -0.08 -1.26 0.97 116.55 112.60 2dn8 n ASP 35 Ca 0.17 1.11 -0.24 0.00 -1.51 0.00 0.00 54.79 54.31 2dn8 n ASP 35 Cb 0.61 -1.12 0.04 0.00 2.34 0.00 0.00 41.12 42.98 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 3.38 -0.52 3.67 0.27 0.00 -1.20 -4.86 105.19 105.94 2dn8 n GLY 36 Ca 0.23 0.16 -0.47 0.00 0.00 0.00 0.00 46.02 45.94 2dn8 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dn8 n GLY 37 N -1.58 1.21 3.52 -0.02 0.00 0.27 -4.58 105.19 104.00 2dn8 n GLY 37 Ca -0.05 0.73 -0.37 0.00 0.00 0.00 0.00 46.02 46.33 2dn8 n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dn8 s HIS 38 N 1.94 3.15 0.37 1.61 2.46 -1.26 -0.19 115.29 123.36 2dn8 s HIS 38 Ca 0.84 -0.16 0.04 0.00 0.47 0.00 0.00 55.06 56.25 2dn8 s HIS 38 Cb -0.70 -2.30 -0.03 0.00 -0.13 0.00 0.00 32.58 29.43 2dn8 s HIS 38 CO 0.43 -0.25 0.15 0.14 -2.47 0.00 0.00 174.74 172.74 2dn8 s VAL 39 N 1.63 0.50 0.17 0.89 -7.23 -0.95 -5.01 120.40 110.41 2dn8 s VAL 39 Ca 0.07 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.28 2dn8 s VAL 39 Cb -0.15 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2dn8 s VAL 39 CO 0.07 0.00 0.22 -1.61 -0.31 0.00 0.00 175.10 173.46 2dn8 s GLU 40 N -3.72 3.15 -0.31 4.82 2.02 -1.26 -2.57 118.70 120.82 2dn8 s GLU 40 Ca 0.30 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 54.20 2dn8 s GLU 40 Cb 0.04 -2.78 -0.08 0.00 0.10 0.00 0.00 34.13 31.41 2dn8 s GLU 40 CO 0.17 0.49 2.24 0.00 0.02 0.00 0.00 175.26 178.18 2dn8 n ALA 41 N -0.59 1.42 0.00 5.21 0.00 -1.26 -0.73 120.51 124.55 2dn8 n ALA 41 Ca -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2dn8 n ALA 41 Cb 0.55 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 17.19 2dn8 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dn8 n GLY 42 N 6.09 1.38 3.66 0.00 0.00 -1.02 -4.89 105.19 110.42 2dn8 n GLY 42 Ca 0.35 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.44 2.93 -0.16 1.61 0.01 0.09 -4.71 113.70 113.02 2dn8 s SER 43 Ca 0.00 1.73 -0.04 0.00 1.31 0.00 0.00 55.95 58.95 2dn8 s SER 43 Cb 0.00 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 2dn8 s SER 43 CO 0.00 -3.02 -0.01 -0.44 0.41 0.00 0.00 173.24 170.18 2dn8 s SER 44 N -3.02 5.01 -0.00 2.44 0.01 -1.26 -2.42 113.70 114.46 2dn8 s SER 44 Ca 0.65 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.91 2dn8 s SER 44 Cb -0.21 -1.80 -0.07 0.00 0.21 0.00 0.00 66.02 64.15 2dn8 s SER 44 CO 0.59 0.18 0.24 0.00 0.41 0.00 0.00 173.24 174.67 2dn8 n TYR 45 N 3.44 0.00 -3.83 2.43 0.18 -0.74 -4.73 117.16 113.90 2dn8 n TYR 45 Ca -0.17 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.54 2dn8 n TYR 45 Cb 0.52 -0.03 0.02 0.00 -0.38 0.00 0.00 39.34 39.48 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 -1.74 -0.99 0.38 -3.48 0.00 -1.20 0.16 121.76 114.89 2dn8 s ALA 46 Ca 0.02 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.43 2dn8 s ALA 46 Cb 0.05 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 2dn8 s ALA 46 CO 0.26 -1.01 0.22 -1.21 0.00 0.00 0.00 175.76 174.02 2dn8 s GLU 47 N -2.38 1.88 -0.09 0.00 2.02 -1.12 0.14 118.70 119.15 2dn8 s GLU 47 Ca 0.17 -2.13 -0.31 0.00 0.02 0.00 0.00 54.97 52.72 2dn8 s GLU 47 Cb -0.04 -0.08 0.09 0.00 0.10 0.00 0.00 34.13 34.19 2dn8 s GLU 47 CO 0.09 -0.61 0.78 0.00 0.02 0.00 0.00 175.26 175.55 2dn8 s MET 48 N -3.52 0.91 -0.31 1.61 0.23 0.21 -3.91 119.30 114.52 2dn8 s MET 48 Ca 0.32 0.22 -0.06 0.00 -1.03 0.00 0.00 55.69 55.14 2dn8 s MET 48 Cb 0.02 0.43 0.02 0.00 -1.53 0.00 0.00 34.83 33.77 2dn8 s MET 48 CO 0.22 -0.28 0.07 -2.00 -2.03 0.00 0.00 175.02 171.00 2dn8 s GLU 49 N -1.17 2.87 0.03 3.16 2.12 -0.21 0.13 118.70 125.63 2dn8 s GLU 49 Ca -0.08 -1.00 0.02 0.00 0.36 0.00 0.00 54.97 54.27 2dn8 s GLU 49 Cb -0.00 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 2dn8 s GLU 49 CO 0.07 -0.52 -0.07 0.54 -0.54 0.00 0.00 175.26 174.74 2dn8 s VAL 50 N 1.44 0.46 -1.58 3.70 0.11 0.34 0.41 120.40 125.28 2dn8 s VAL 50 Ca 0.01 -0.90 -0.14 0.00 -2.93 0.00 0.00 61.98 58.02 2dn8 s VAL 50 Cb -0.18 -0.52 0.11 0.00 -1.53 0.00 0.00 36.38 34.26 2dn8 s VAL 50 CO 0.02 -0.30 0.87 0.23 -3.33 0.00 0.00 175.10 172.59 2dn8 n MET 51 N 1.76 -4.51 -1.50 1.54 2.81 -1.26 0.16 117.12 116.12 2dn8 n MET 51 Ca -0.21 0.50 -0.17 0.00 -1.81 0.00 0.00 57.70 56.01 2dn8 n MET 51 Cb 0.55 -5.28 -0.07 0.00 -0.71 0.00 0.00 33.22 27.71 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 -4.55 -1.53 -4.36 0.03 5.02 -1.26 -4.94 118.16 106.57 2dn8 n LYS 52 Ca 0.02 1.11 -0.25 0.00 -2.02 0.00 0.00 58.31 57.17 2dn8 n LYS 52 Cb 0.53 -5.51 -0.12 0.00 -0.02 0.00 0.00 35.03 29.91 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 -3.46 1.34 -0.47 1.97 -1.94 0.43 -5.10 119.30 112.06 2dn8 s MET 53 Ca 0.00 -1.37 -0.14 0.00 -1.71 0.00 0.00 55.69 52.47 2dn8 s MET 53 Cb 0.00 -1.63 0.08 0.00 2.01 0.00 0.00 34.83 35.29 2dn8 s MET 53 CO 0.00 0.36 0.38 0.42 -0.01 0.00 0.00 175.02 176.17 2dn8 s ILE 54 N -1.49 4.98 -0.10 2.53 -1.09 -1.26 0.13 121.20 124.90 2dn8 s ILE 54 Ca 0.14 -1.22 -0.05 0.00 -2.23 0.00 0.00 60.65 57.30 2dn8 s ILE 54 Cb -0.08 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 2dn8 s ILE 54 CO 0.07 -0.61 0.08 -0.04 -1.23 0.00 0.00 174.94 173.21 2dn8 s MET 55 N 1.58 3.25 0.33 2.79 -1.94 0.34 -4.92 119.30 120.72 2dn8 s MET 55 Ca 0.04 -0.25 -0.15 0.00 -1.71 0.00 0.00 55.69 53.62 2dn8 s MET 55 Cb -0.25 -3.02 -0.09 0.00 2.01 0.00 0.00 34.83 33.48 2dn8 s MET 55 CO 0.05 0.75 0.74 0.99 -0.01 0.00 0.00 175.02 177.54 2dn8 s THR 56 N -0.98 4.69 -0.14 2.05 2.01 -1.26 0.66 115.64 122.67 2dn8 s THR 56 Ca 0.15 0.92 -0.01 0.00 0.31 0.00 0.00 61.69 63.05 2dn8 s THR 56 Cb -0.12 -3.62 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 2dn8 s THR 56 CO 0.04 -0.22 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.89 2dn8 s LEU 57 N -3.07 2.90 0.36 4.42 1.43 0.12 -4.86 118.68 119.99 2dn8 s LEU 57 Ca 0.54 -0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.47 2dn8 s LEU 57 Cb -0.10 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 2dn8 s LEU 57 CO 0.19 0.17 -0.02 0.54 0.23 0.00 0.00 176.35 177.45 2dn8 s ASN 58 N 0.36 3.94 -0.08 2.29 2.20 -1.26 -1.79 114.94 120.60 2dn8 s ASN 58 Ca -0.08 -1.18 -0.19 0.00 -0.94 0.00 0.00 52.86 50.47 2dn8 s ASN 58 Cb -0.15 -0.42 -0.04 0.00 -2.00 0.00 0.00 41.25 38.63 2dn8 s ASN 58 CO 0.05 -0.30 0.52 0.68 -2.94 0.00 0.00 177.10 175.11 2dn8 s VAL 59 N -2.61 5.10 0.39 3.54 -7.23 -1.01 -4.92 120.40 113.66 2dn8 s VAL 59 Ca 0.34 1.06 0.09 0.00 -1.81 0.00 0.00 61.98 61.66 2dn8 s VAL 59 Cb 0.04 -3.86 0.19 0.00 0.56 0.00 0.00 36.38 33.30 2dn8 s VAL 59 CO 0.18 0.35 1.95 1.56 -0.31 0.00 0.00 175.10 178.84 2dn8 h GLN 60 N 6.35 0.32 -2.94 4.82 1.08 -1.93 -2.71 115.11 120.10 2dn8 h GLN 60 Ca -0.43 -0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 56.55 2dn8 h GLN 60 Cb 1.19 -0.05 -0.28 0.00 -0.05 0.00 0.00 27.48 28.28 2dn8 h GLN 60 CO 0.73 0.37 -0.43 -1.21 -0.95 0.00 0.00 178.83 177.35 2dn8 s GLU 61 N -4.93 0.27 0.42 1.46 0.41 -1.26 -4.80 118.70 110.28 2dn8 s GLU 61 Ca -0.06 0.56 -0.15 0.00 -0.41 0.00 0.00 54.97 54.91 2dn8 s GLU 61 Cb 0.16 -0.05 -0.12 0.00 -1.78 0.00 0.00 34.13 32.33 2dn8 s GLU 61 CO 0.73 -0.14 -0.11 2.89 -0.49 0.00 0.00 175.26 178.14 2dn8 n ARG 62 N 4.01 0.00 0.00 1.61 1.85 -1.26 -4.70 116.66 118.17 2dn8 n ARG 62 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.62 2dn8 n ARG 62 Cb 0.54 -0.83 0.00 0.00 -1.05 0.00 0.00 32.46 31.12 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 2.09 -0.56 3.01 2.89 0.00 -1.06 -4.36 105.19 107.20 2dn8 n GLY 63 Ca 0.06 -0.60 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.65 1.91 0.10 1.61 0.52 -1.14 -2.23 118.95 118.06 2dn8 s ARG 64 Ca 0.00 -0.45 -0.26 0.00 -0.52 0.00 0.00 55.73 54.51 2dn8 s ARG 64 Cb 0.00 -1.68 -0.06 0.00 0.52 0.00 0.00 34.95 33.72 2dn8 s ARG 64 CO 0.00 -0.09 0.79 0.08 0.02 0.00 0.00 175.30 176.11 2dn8 s VAL 65 N 1.06 4.56 0.17 3.52 1.01 0.73 -2.10 120.40 129.35 2dn8 s VAL 65 Ca -0.06 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.67 2dn8 s VAL 65 Cb -0.15 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 2dn8 s VAL 65 CO -0.02 0.42 -0.09 -0.75 0.00 0.00 0.00 175.10 174.66 2dn8 s LYS 66 N -0.47 1.15 -0.33 2.72 2.47 -1.16 -2.98 119.74 121.14 2dn8 s LYS 66 Ca 0.38 -1.51 -0.25 0.00 -1.56 0.00 0.00 55.97 53.03 2dn8 s LYS 66 Cb -0.22 -0.71 0.01 0.00 -1.46 0.00 0.00 37.83 35.45 2dn8 s LYS 66 CO 0.25 0.07 0.88 -0.47 0.16 0.00 0.00 175.35 176.24 2dn8 s TYR 67 N -3.28 3.16 -0.01 4.03 5.04 -1.26 -3.11 117.35 121.91 2dn8 s TYR 67 Ca 0.19 0.88 -0.04 0.00 -2.44 0.00 0.00 57.07 55.67 2dn8 s TYR 67 Cb 0.03 -3.42 -0.01 0.00 0.35 0.00 0.00 41.96 38.90 2dn8 s TYR 67 CO 0.03 -0.68 -0.07 -0.89 -1.34 0.00 0.00 175.55 172.60 2dn8 n ILE 68 N 5.71 0.58 -3.56 3.14 2.08 -1.23 -4.93 119.36 121.16 2dn8 n ILE 68 Ca 0.06 0.26 -0.34 0.00 0.56 0.00 0.00 62.75 63.29 2dn8 n ILE 68 Cb 0.48 -1.54 -0.05 0.00 -0.75 0.00 0.00 39.64 37.78 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 -1.61 3.75 0.53 0.38 -0.14 -0.91 -5.03 119.74 116.72 2dn8 s LYS 69 Ca -0.06 0.15 -0.21 0.00 -1.36 0.00 0.00 55.97 54.50 2dn8 s LYS 69 Cb 0.01 -2.90 -0.06 0.00 -1.68 0.00 0.00 37.83 33.20 2dn8 s LYS 69 CO 0.09 0.49 1.19 1.03 -0.76 0.00 0.00 175.35 177.39 2dn8 s ARG 70 N -2.23 3.35 -0.15 1.68 0.52 -1.26 -4.95 118.95 115.91 2dn8 s ARG 70 Ca 0.37 1.80 -0.29 0.00 -0.52 0.00 0.00 55.73 57.09 2dn8 s ARG 70 Cb -0.13 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.18 2dn8 s ARG 70 CO 0.20 -0.89 1.27 -1.25 0.02 0.00 0.00 175.30 174.65 2dn8 s PRO 71 N -3.06 4.24 0.00 3.54 0.04 -1.26 -3.01 135.00 135.49 2dn8 s PRO 71 Ca 0.71 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.43 2dn8 s PRO 71 Cb -0.29 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2dn8 s PRO 71 CO 0.34 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.10 2dn8 n GLY 72 N 3.61 1.09 3.68 0.56 0.00 -1.20 -4.94 105.19 108.00 2dn8 n GLY 72 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2dn8 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dn8 s ALA 73 N -1.80 1.24 -0.56 4.61 0.00 -1.17 -4.77 121.76 119.32 2dn8 s ALA 73 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 51.96 51.74 2dn8 s ALA 73 Cb 0.00 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.95 2dn8 s ALA 73 CO 0.00 -2.62 0.82 0.54 0.00 0.00 0.00 175.76 174.50 2dn8 s VAL 74 N -2.83 4.58 0.02 0.00 0.11 -1.26 -2.31 120.40 118.70 2dn8 s VAL 74 Ca 0.65 -0.20 -0.30 0.00 -2.93 0.00 0.00 61.98 59.19 2dn8 s VAL 74 Cb -0.20 -4.48 -0.08 0.00 -1.53 0.00 0.00 36.38 30.10 2dn8 s VAL 74 CO 0.58 -1.07 1.81 -0.76 -3.33 0.00 0.00 175.10 172.33 2dn8 s LEU 75 N 3.42 4.39 0.13 2.54 2.01 0.14 -4.88 118.68 126.43 2dn8 s LEU 75 Ca 0.22 2.51 0.10 0.00 0.01 0.00 0.00 54.13 56.98 2dn8 s LEU 75 Cb -0.17 -3.54 -0.04 0.00 0.01 0.00 0.00 46.19 42.46 2dn8 s LEU 75 CO 0.14 -0.99 -0.25 -1.61 1.01 0.00 0.00 176.35 174.65 2dn8 s GLU 76 N 3.97 1.35 0.06 1.70 2.02 -1.26 0.14 118.70 126.68 2dn8 s GLU 76 Ca 0.81 -1.33 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 2dn8 s GLU 76 Cb -0.39 -1.77 -0.09 0.00 0.10 0.00 0.00 34.13 31.97 2dn8 s GLU 76 CO 0.36 0.41 1.87 0.00 0.02 0.00 0.00 175.26 177.92 2dn8 s ALA 77 N -1.18 3.66 -0.24 5.21 0.00 -1.26 -2.71 121.76 125.24 2dn8 s ALA 77 Ca 0.13 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.42 2dn8 s ALA 77 Cb -0.10 -3.80 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2dn8 s ALA 77 CO 0.06 -1.39 0.21 0.41 0.00 0.00 0.00 175.76 175.04 2dn8 n GLY 78 N 4.36 0.40 3.35 0.00 0.00 -0.03 -4.96 105.19 108.29 2dn8 n GLY 78 Ca 0.19 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.61 5.03 0.16 0.00 0.11 -1.26 0.87 120.40 121.70 2dn8 s VAL 80 Ca 0.35 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.01 2dn8 s VAL 80 Cb 0.06 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 2dn8 s VAL 80 CO 0.16 0.33 0.00 0.52 -3.33 0.00 0.00 175.10 172.78 2dn8 n VAL 81 N 1.04 0.65 -4.05 2.04 0.31 -1.09 -4.74 118.33 112.49 2dn8 n VAL 81 Ca -0.08 0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 64.32 2dn8 n VAL 81 Cb 0.52 -1.08 -0.03 0.00 -0.91 0.00 0.00 33.84 32.34 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 -3.40 -0.26 -2.48 3.52 0.00 -1.23 -2.13 120.51 114.54 2dn8 n ALA 82 Ca 0.00 -1.57 -0.22 0.00 0.00 0.00 0.00 53.44 51.64 2dn8 n ALA 82 Cb 0.00 1.27 -0.05 0.00 0.00 0.00 0.00 19.45 20.66 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 -2.80 2.46 -0.22 0.00 1.81 -1.18 -1.74 118.95 117.28 2dn8 s ARG 83 Ca 0.28 -1.51 -0.04 0.00 -1.72 0.00 0.00 55.73 52.74 2dn8 s ARG 83 Cb -0.01 -2.25 0.08 0.00 -0.45 0.00 0.00 34.95 32.32 2dn8 s ARG 83 CO 0.20 0.06 0.12 -1.17 -0.68 0.00 0.00 175.30 173.83 2dn8 s LEU 84 N -3.92 0.38 -0.87 2.53 1.98 0.49 -3.00 118.68 116.28 2dn8 s LEU 84 Ca 0.40 -0.87 -0.20 0.00 -2.89 0.00 0.00 54.13 50.56 2dn8 s LEU 84 Cb -0.03 -0.23 0.10 0.00 0.66 0.00 0.00 46.19 46.69 2dn8 s LEU 84 CO 0.24 -0.39 1.12 -1.61 -1.89 0.00 0.00 176.35 173.83 2dn8 s GLU 85 N 2.14 3.47 0.13 1.98 2.02 -0.89 -4.14 118.70 123.40 2dn8 s GLU 85 Ca 0.05 -1.43 -0.35 0.00 0.02 0.00 0.00 54.97 53.26 2dn8 s GLU 85 Cb -0.16 -4.79 -0.16 0.00 0.10 0.00 0.00 34.13 29.12 2dn8 s GLU 85 CO -0.21 -1.84 1.25 1.28 0.02 0.00 0.00 175.26 175.76 2dn8 n LEU 86 N 7.15 1.58 -0.81 1.80 4.77 -1.26 -2.91 117.00 127.32 2dn8 n LEU 86 Ca 0.18 1.13 0.10 0.00 -0.03 0.00 0.00 56.01 57.39 2dn8 n LEU 86 Cb 0.48 -1.20 0.08 0.00 -2.33 0.00 0.00 43.42 40.45 2dn8 n LEU 86 CO 0.56 -1.17 0.56 -0.90 -1.33 0.00 0.00 177.39 175.11 2dn8 n ASP 87 N 2.27 2.69 -3.12 -1.43 5.75 -1.26 -4.60 116.55 116.85 2dn8 n ASP 87 Ca 0.17 -1.84 -0.19 0.00 -0.01 0.00 0.00 54.79 52.91 2dn8 n ASP 87 Cb 0.22 0.04 -0.05 0.00 -1.03 0.00 0.00 41.12 40.29 2dn8 n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2dn8 n ASP 88 N 1.09 -1.06 -3.78 -1.12 2.03 -1.26 -5.12 116.55 107.32 2dn8 n ASP 88 Ca 0.12 -2.73 -0.30 0.00 0.52 0.00 0.00 54.79 52.40 2dn8 n ASP 88 Cb 0.52 0.14 0.23 0.00 -0.72 0.00 0.00 41.12 41.29 2dn8 n ASP 88 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2dn8 s PRO 89 N -0.20 -0.61 0.02 -0.67 0.04 -1.26 -5.05 135.00 127.27 2dn8 s PRO 89 Ca 0.33 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.00 2dn8 s PRO 89 Cb 0.12 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.96 2dn8 s PRO 89 CO -0.15 -3.25 0.00 0.45 0.04 0.00 0.00 177.00 174.09 2dn8 n SER 90 N -4.37 0.01 -2.55 6.66 2.88 -1.26 -5.11 113.62 109.89 2dn8 n SER 90 Ca 0.16 0.03 -0.06 0.00 -1.33 0.00 0.00 58.87 57.67 2dn8 n SER 90 Cb 0.59 0.02 0.01 0.00 -0.75 0.00 0.00 64.21 64.08 2dn8 n SER 90 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dn8 n LYS 91 N -2.57 -1.82 -3.72 -1.46 5.02 -1.26 -5.06 118.16 107.30 2dn8 n LYS 91 Ca 0.00 1.74 -0.12 0.00 -2.02 0.00 0.00 58.31 57.91 2dn8 n LYS 91 Cb 0.00 -4.74 -0.13 0.00 -0.02 0.00 0.00 35.03 30.14 2dn8 n LYS 91 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2dn8 s VAL 92 N -2.27 -0.09 -0.70 -0.18 1.01 -1.26 -5.08 120.40 111.83 2dn8 s VAL 92 Ca 0.19 0.16 -0.34 0.00 0.00 0.00 0.00 61.98 61.99 2dn8 s VAL 92 Cb -0.05 -0.40 -0.17 0.00 0.00 0.00 0.00 36.38 35.75 2dn8 s VAL 92 CO 0.59 0.07 2.45 1.41 0.00 0.00 0.00 175.10 179.62 2dn8 n HIS 93 N 4.38 1.01 -1.61 5.22 8.25 -1.26 -4.87 115.22 126.33 2dn8 n HIS 93 Ca -0.23 0.40 -0.31 0.00 -0.26 0.00 0.00 57.72 57.32 2dn8 n HIS 93 Cb 0.53 -2.43 0.05 0.00 1.12 0.00 0.00 29.99 29.25 2dn8 n HIS 93 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dn8 s PRO 94 N 7.78 2.98 -0.27 -0.41 0.04 -1.26 -4.55 135.00 139.31 2dn8 s PRO 94 Ca 1.22 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 2dn8 s PRO 94 Cb -1.06 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.48 2dn8 s PRO 94 CO 0.49 -1.07 0.05 0.45 0.04 0.00 0.00 177.00 176.97 2dn8 n SER 95 N -3.03 -7.79 -0.69 6.66 2.88 -1.26 -5.05 113.62 105.34 2dn8 n SER 95 Ca 0.08 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2dn8 n SER 95 Cb 0.53 -4.72 0.00 0.00 -0.75 0.00 0.00 64.21 59.27 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 0.71 2.97 3.82 0.46 0.00 -1.26 -5.11 105.19 106.78 2dn8 n GLY 96 Ca 0.01 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 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 0.98 2.71 -0.21 1.61 0.04 -1.26 -5.06 135.00 133.81 2dn8 s PRO 97 Ca 0.00 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 61.91 2dn8 s PRO 97 Cb 0.00 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.62 2dn8 s PRO 97 CO 0.00 -1.24 -0.03 0.45 0.04 0.00 0.00 177.00 176.22 2dn8 s SER 98 N -3.83 3.36 -0.06 6.66 0.15 -1.26 -5.11 113.70 113.61 2dn8 s SER 98 Ca 0.59 -0.96 -0.20 0.00 0.70 0.00 0.00 55.95 56.08 2dn8 s SER 98 Cb -0.14 -0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2dn8 s SER 98 CO 0.55 -0.24 0.57 -0.94 1.20 0.00 0.00 173.24 174.38 2dn8 s SER 99 N 1.56 6.86 0.00 5.45 1.04 -1.26 -5.36 113.70 121.99 2dn8 s SER 99 Ca -0.03 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.43 2dn8 s SER 99 Cb -0.17 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.60 2dn8 s SER 99 CO -0.07 0.01 0.28 0.61 0.98 0.00 0.00 173.24 175.05