#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn6 s SER 2 N 0.00 2.26 -0.21 1.61 1.04 -1.26 -5.11 113.70 112.04 2dn6 s SER 2 Ca 0.00 -0.36 -0.02 0.00 0.48 0.00 0.00 55.95 56.05 2dn6 s SER 2 Cb 0.00 -0.80 0.06 0.00 0.10 0.00 0.00 66.02 65.38 2dn6 s SER 2 CO 0.00 -0.14 0.02 -0.44 0.98 0.00 0.00 173.24 173.66 2dn6 s SER 3 N 1.73 3.13 0.00 7.02 0.01 -1.26 -4.93 113.70 119.40 2dn6 s SER 3 Ca 0.04 -0.92 0.00 0.00 1.31 0.00 0.00 55.95 56.38 2dn6 s SER 3 Cb -0.13 -0.71 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2dn6 s SER 3 CO -0.08 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2dn6 n GLY 4 N 4.97 0.62 3.14 3.44 0.00 -1.26 -5.11 105.19 110.99 2dn6 n GLY 4 Ca -0.09 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 2dn6 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dn6 s SER 5 N -0.87 3.00 -0.03 1.61 0.01 -1.26 -5.12 113.70 111.04 2dn6 s SER 5 Ca 0.00 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 56.73 2dn6 s SER 5 Cb 0.00 -1.39 -0.01 0.00 0.21 0.00 0.00 66.02 64.83 2dn6 s SER 5 CO 0.00 0.05 -0.19 -0.44 0.41 0.00 0.00 173.24 173.08 2dn6 s SER 6 N 0.94 2.25 0.00 2.44 0.01 -1.26 -5.08 113.70 113.00 2dn6 s SER 6 Ca -0.05 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2dn6 s SER 6 Cb -0.15 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2dn6 s SER 6 CO -0.04 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2dn6 n GLY 7 N 2.81 0.78 3.86 3.44 0.00 -1.26 -5.10 105.19 109.72 2dn6 n GLY 7 Ca -0.16 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 2dn6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dn6 s VAL 8 N -3.11 4.94 -0.22 1.61 0.11 -1.26 -4.21 120.40 118.25 2dn6 s VAL 8 Ca 0.00 0.62 -0.18 0.00 -2.93 0.00 0.00 61.98 59.49 2dn6 s VAL 8 Cb 0.00 -3.68 -0.18 0.00 -1.53 0.00 0.00 36.38 30.99 2dn6 s VAL 8 CO 0.00 0.16 0.08 0.18 -3.33 0.00 0.00 175.10 172.19 2dn6 n LEU 9 N 0.54 1.96 -4.26 2.54 4.77 0.11 -4.99 117.00 117.67 2dn6 n LEU 9 Ca -0.04 0.38 -0.19 0.00 -0.03 0.00 0.00 56.01 56.13 2dn6 n LEU 9 Cb 0.52 -0.94 -0.11 0.00 -2.33 0.00 0.00 43.42 40.56 2dn6 n LEU 9 CO 0.43 0.40 -0.45 -0.75 -1.33 0.00 0.00 177.39 175.69 2dn6 s LYS 10 N -2.41 1.08 -0.25 3.23 2.20 -1.07 -5.00 119.74 117.52 2dn6 s LYS 10 Ca -0.31 -1.29 -0.20 0.00 -0.36 0.00 0.00 55.97 53.81 2dn6 s LYS 10 Cb 0.08 -0.98 0.07 0.00 -1.51 0.00 0.00 37.83 35.49 2dn6 s LYS 10 CO 0.58 0.19 0.66 1.14 -0.36 0.00 0.00 175.35 177.56 2dn6 s GLN 11 N -2.76 0.73 -0.10 4.03 -2.07 -1.26 -1.12 119.66 117.11 2dn6 s GLN 11 Ca 0.11 1.01 -0.32 0.00 -1.82 0.00 0.00 55.36 54.33 2dn6 s GLN 11 Cb -0.05 0.28 0.13 0.00 -1.09 0.00 0.00 33.01 32.29 2dn6 s GLN 11 CO 0.04 -0.11 1.43 0.20 -1.32 0.00 0.00 175.29 175.52 2dn6 s GLY 12 N 0.80 -0.41 -0.36 2.60 0.00 -1.17 -5.01 107.32 103.77 2dn6 s GLY 12 Ca -0.04 0.69 -0.23 0.00 0.00 0.00 0.00 44.72 45.14 2dn6 s GLY 12 CO -0.06 2.62 0.80 -0.19 0.00 0.00 0.00 173.10 176.27 2dn6 s TYR 13 N -2.00 3.12 0.22 1.90 2.02 -1.26 -1.98 117.35 119.36 2dn6 s TYR 13 Ca 0.21 0.59 0.09 0.00 -0.37 0.00 0.00 57.07 57.60 2dn6 s TYR 13 Cb 0.05 -3.41 -0.05 0.00 -0.40 0.00 0.00 41.96 38.15 2dn6 s TYR 13 CO -0.06 -0.73 -0.18 -1.64 -1.57 0.00 0.00 175.55 171.38 2dn6 s MET 14 N 3.13 1.43 -0.42 -0.62 -1.94 -0.27 -4.90 119.30 115.71 2dn6 s MET 14 Ca 0.32 -1.59 -0.15 0.00 -1.71 0.00 0.00 55.69 52.56 2dn6 s MET 14 Cb -0.13 -1.42 0.03 0.00 2.01 0.00 0.00 34.83 35.32 2dn6 s MET 14 CO 0.17 0.27 0.31 -1.64 -0.01 0.00 0.00 175.02 174.11 2dn6 s MET 15 N -3.31 2.97 0.08 2.03 -1.94 -1.04 0.31 119.30 118.41 2dn6 s MET 15 Ca 0.23 -1.06 -0.15 0.00 -1.71 0.00 0.00 55.69 53.00 2dn6 s MET 15 Cb -0.04 -4.00 -0.06 0.00 2.01 0.00 0.00 34.83 32.74 2dn6 s MET 15 CO 0.09 -0.78 0.50 0.21 -0.01 0.00 0.00 175.02 175.03 2dn6 s LYS 16 N 1.68 3.98 -0.40 2.03 2.47 -1.19 0.32 119.74 128.62 2dn6 s LYS 16 Ca 0.05 0.48 -0.21 0.00 -1.56 0.00 0.00 55.97 54.73 2dn6 s LYS 16 Cb -0.20 -3.08 0.02 0.00 -1.46 0.00 0.00 37.83 33.11 2dn6 s LYS 16 CO 0.10 0.58 0.68 0.21 0.16 0.00 0.00 175.35 177.08 2dn6 s LYS 17 N -1.54 3.49 -0.84 4.03 2.20 -0.27 -3.36 119.74 123.45 2dn6 s LYS 17 Ca 0.32 -0.10 -0.25 0.00 -0.36 0.00 0.00 55.97 55.57 2dn6 s LYS 17 Cb -0.16 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.27 2dn6 s LYS 17 CO 0.18 -0.92 1.66 0.20 -0.36 0.00 0.00 175.35 176.10 2dn6 s GLY 18 N 1.94 0.62 0.26 5.54 0.00 -1.21 -4.72 107.32 109.75 2dn6 s GLY 18 Ca 0.26 -1.50 0.13 0.00 0.00 0.00 0.00 44.72 43.60 2dn6 s GLY 18 CO 0.18 3.08 1.14 1.57 0.00 0.00 0.00 173.10 179.07 2dn6 n HIS 19 N 11.37 0.78 -0.08 1.90 -0.00 -1.26 0.93 115.22 128.86 2dn6 n HIS 19 Ca 0.26 0.85 -0.09 0.00 0.46 0.00 0.00 57.72 59.21 2dn6 n HIS 19 Cb 0.50 -1.24 -0.03 0.00 -0.12 0.00 0.00 29.99 29.10 2dn6 n HIS 19 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2dn6 h ARG 20 N 0.00 -0.30 -5.35 1.57 9.65 -2.00 -3.41 114.38 114.55 2dn6 h ARG 20 Ca 0.59 0.02 -0.49 0.00 -1.10 0.00 0.00 59.98 58.99 2dn6 h ARG 20 Cb 1.51 0.07 -0.29 0.00 -1.39 0.00 0.00 29.97 29.87 2dn6 h ARG 20 CO -0.57 -0.20 -0.81 1.03 2.80 0.00 0.00 179.97 182.21 2dn6 s ARG 21 N -5.97 1.18 -1.08 0.20 0.52 0.26 -5.05 118.95 109.00 2dn6 s ARG 21 Ca -0.15 -0.53 -0.22 0.00 -0.52 0.00 0.00 55.73 54.31 2dn6 s ARG 21 Cb 0.12 -1.14 -0.10 0.00 0.52 0.00 0.00 34.95 34.36 2dn6 s ARG 21 CO 0.67 0.31 1.92 1.17 0.02 0.00 0.00 175.30 179.39 2dn6 n LYS 22 N 2.70 1.70 -3.83 3.54 3.00 -1.26 -4.05 118.16 119.95 2dn6 n LYS 22 Ca -0.14 -2.36 -0.10 0.00 -0.00 0.00 0.00 58.31 55.72 2dn6 n LYS 22 Cb 0.55 -3.49 -0.06 0.00 0.00 0.00 0.00 35.03 32.03 2dn6 n LYS 22 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2dn6 s ASN 23 N 5.87 -0.06 -0.06 3.14 2.47 -1.26 -5.07 114.94 119.97 2dn6 s ASN 23 Ca 0.64 -0.64 0.03 0.00 0.42 0.00 0.00 52.86 53.31 2dn6 s ASN 23 Cb 0.04 0.45 -0.02 0.00 -1.45 0.00 0.00 41.25 40.27 2dn6 s ASN 23 CO 0.13 -0.89 -0.14 0.26 -3.72 0.00 0.00 177.10 172.74 2dn6 s TRP 24 N -3.90 2.71 -0.06 0.43 0.52 -1.26 -3.35 118.94 114.03 2dn6 s TRP 24 Ca 0.10 -0.25 -0.03 0.00 0.02 0.00 0.00 56.10 55.95 2dn6 s TRP 24 Cb 0.02 -1.66 0.04 0.00 -1.15 0.00 0.00 33.47 30.72 2dn6 s TRP 24 CO -0.05 0.11 0.12 0.95 0.02 0.00 0.00 176.95 178.10 2dn6 s THR 25 N -0.54 -0.17 0.20 2.01 -4.23 -1.21 -5.00 115.64 106.69 2dn6 s THR 25 Ca 0.07 0.35 -0.32 0.00 -1.18 0.00 0.00 61.69 60.61 2dn6 s THR 25 Cb -0.12 -0.22 -0.15 0.00 1.34 0.00 0.00 72.50 73.35 2dn6 s THR 25 CO 0.01 0.14 1.25 1.21 -0.54 0.00 0.00 174.62 176.70 2dn6 n GLU 26 N 5.08 1.48 -3.69 3.99 2.13 -1.26 -3.20 120.64 125.18 2dn6 n GLU 26 Ca -0.09 0.53 -0.14 0.00 0.66 0.00 0.00 57.16 58.12 2dn6 n GLU 26 Cb 0.50 -2.08 -0.09 0.00 0.27 0.00 0.00 31.44 30.04 2dn6 n GLU 26 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2dn6 s ARG 27 N -0.40 0.65 0.41 5.31 0.52 0.15 -4.93 118.95 120.66 2dn6 s ARG 27 Ca 0.71 0.57 -0.24 0.00 -0.52 0.00 0.00 55.73 56.24 2dn6 s ARG 27 Cb -0.78 0.31 -0.08 0.00 0.52 0.00 0.00 34.95 34.92 2dn6 s ARG 27 CO 0.51 -0.11 1.13 -0.46 0.02 0.00 0.00 175.30 176.40 2dn6 s TRP 28 N -0.05 3.09 -0.00 -0.53 -0.11 0.54 -1.11 118.94 120.77 2dn6 s TRP 28 Ca -0.03 1.58 0.04 0.00 1.22 0.00 0.00 56.10 58.92 2dn6 s TRP 28 Cb -0.03 -3.31 -0.01 0.00 -1.50 0.00 0.00 33.47 28.62 2dn6 s TRP 28 CO 0.02 -1.14 -0.13 -0.06 -4.62 0.00 0.00 176.95 171.02 2dn6 s PHE 29 N -1.51 1.18 -0.45 5.86 0.40 -0.84 -1.17 117.98 121.45 2dn6 s PHE 29 Ca 0.59 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.71 2dn6 s PHE 29 Cb -0.28 -0.75 0.13 0.00 0.51 0.00 0.00 43.02 42.63 2dn6 s PHE 29 CO 0.34 -0.01 0.22 0.08 0.70 0.00 0.00 175.22 176.55 2dn6 s VAL 30 N -0.37 1.93 -0.47 -0.44 1.01 0.77 -3.07 120.40 119.76 2dn6 s VAL 30 Ca 0.05 -2.77 -0.28 0.00 0.00 0.00 0.00 61.98 58.98 2dn6 s VAL 30 Cb -0.05 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 2dn6 s VAL 30 CO -0.00 -0.81 1.73 -0.22 0.00 0.00 0.00 175.10 175.79 2dn6 s LEU 31 N 0.22 3.42 0.52 3.92 2.96 -0.27 -2.03 118.68 127.42 2dn6 s LEU 31 Ca 0.16 0.77 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 2dn6 s LEU 31 Cb -0.24 -3.10 0.00 0.00 0.50 0.00 0.00 46.19 43.36 2dn6 s LEU 31 CO -0.02 -1.92 0.79 -0.54 -1.32 0.00 0.00 176.35 173.34 2dn6 s LYS 32 N 6.07 2.99 0.41 1.98 3.01 0.17 0.04 119.74 134.41 2dn6 s LYS 32 Ca 0.70 -0.24 0.20 0.00 -1.01 0.00 0.00 55.97 55.62 2dn6 s LYS 32 Cb -0.16 -2.41 0.87 0.00 -1.01 0.00 0.00 37.83 35.12 2dn6 s LYS 32 CO 0.28 -0.50 1.83 -1.00 0.51 0.00 0.00 175.35 176.47 2dn6 h PRO 33 N 0.10 0.00 0.00 -1.68 0.13 -1.95 -3.24 132.00 125.36 2dn6 h PRO 33 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 2dn6 h PRO 33 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 2dn6 h PRO 33 CO 0.59 0.31 -0.61 0.09 -0.23 0.00 0.00 178.00 178.14 2dn6 n ASN 34 N -3.65 0.99 -3.85 1.44 4.13 -1.26 -4.77 115.26 108.29 2dn6 n ASN 34 Ca -0.01 -2.48 0.04 0.00 1.68 0.00 0.00 54.58 53.82 2dn6 n ASN 34 Cb 0.43 -0.32 0.01 0.00 -1.54 0.00 0.00 39.78 38.35 2dn6 n ASN 34 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2dn6 s ILE 35 N -0.97 0.00 -0.26 2.41 2.07 -1.22 -3.83 121.20 119.40 2dn6 s ILE 35 Ca 0.23 -0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.41 2dn6 s ILE 35 Cb 0.24 -2.67 0.13 0.00 0.13 0.00 0.00 42.46 40.29 2dn6 s ILE 35 CO -0.07 0.00 0.31 -0.63 -1.91 0.00 0.00 174.94 172.64 2dn6 s ILE 36 N -2.03 -0.46 0.33 2.00 1.01 -1.04 0.43 121.20 121.44 2dn6 s ILE 36 Ca 0.26 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.70 2dn6 s ILE 36 Cb 0.02 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2dn6 s ILE 36 CO -0.04 -0.30 0.47 -0.55 0.00 0.00 0.00 174.94 174.53 2dn6 s SER 37 N 2.42 6.00 -0.15 3.58 0.15 -0.86 -0.72 113.70 124.12 2dn6 s SER 37 Ca 0.10 -0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.58 2dn6 s SER 37 Cb -0.15 -1.32 0.07 0.00 -1.71 0.00 0.00 66.02 62.92 2dn6 s SER 37 CO -0.23 -0.41 0.22 -0.72 1.20 0.00 0.00 173.24 173.30 2dn6 s TYR 38 N -2.17 -0.30 0.08 3.44 1.13 -1.16 -0.16 117.35 118.20 2dn6 s TYR 38 Ca 0.44 0.58 0.03 0.00 -1.41 0.00 0.00 57.07 56.71 2dn6 s TYR 38 Cb -0.09 -0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 40.50 2dn6 s TYR 38 CO 0.31 -0.43 0.07 0.71 -2.51 0.00 0.00 175.55 173.70 2dn6 s TYR 39 N 2.35 3.16 0.30 -3.49 1.51 -0.31 -2.24 117.35 118.62 2dn6 s TYR 39 Ca 0.04 0.06 0.04 0.00 -1.01 0.00 0.00 57.07 56.20 2dn6 s TYR 39 Cb -0.13 -1.60 0.77 0.00 -0.11 0.00 0.00 41.96 40.88 2dn6 s TYR 39 CO -0.09 0.52 1.64 0.28 -1.11 0.00 0.00 175.55 176.78 2dn6 h VAL 40 N 2.59 0.28 -3.73 0.71 2.07 -1.81 0.15 116.25 116.52 2dn6 h VAL 40 Ca -0.47 -0.07 -0.27 0.00 0.82 0.00 0.00 66.70 66.72 2dn6 h VAL 40 Cb 1.16 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2dn6 h VAL 40 CO 0.65 0.04 -0.24 -1.54 0.02 0.00 0.00 177.57 176.49 2dn6 n SER 41 N -5.23 0.41 -1.51 0.57 3.41 -1.26 -3.20 113.62 106.81 2dn6 n SER 41 Ca 0.23 -2.12 -0.09 0.00 -0.26 0.00 0.00 58.87 56.63 2dn6 n SER 41 Cb 0.73 0.69 0.05 0.00 -0.26 0.00 0.00 64.21 65.42 2dn6 n SER 41 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2dn6 n GLU 42 N -0.41 1.44 -0.08 4.33 0.28 -1.26 -3.74 120.64 121.21 2dn6 n GLU 42 Ca 0.00 -0.97 -0.07 0.00 -0.16 0.00 0.00 57.16 55.96 2dn6 n GLU 42 Cb 0.31 -1.38 -0.13 0.00 1.43 0.00 0.00 31.44 31.67 2dn6 n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2dn6 n ASP 43 N 0.23 0.99 -2.56 -1.84 9.92 -1.26 -5.02 116.55 117.01 2dn6 n ASP 43 Ca 0.19 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.31 2dn6 n ASP 43 Cb 0.77 0.94 0.05 0.00 -0.64 0.00 0.00 41.12 42.24 2dn6 n ASP 43 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dn6 n LEU 44 N -2.58 -3.07 -0.06 0.64 4.77 -1.24 -4.95 117.00 110.51 2dn6 n LEU 44 Ca -0.25 -0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 55.26 2dn6 n LEU 44 Cb 1.00 -2.19 -0.05 0.00 -2.33 0.00 0.00 43.42 39.85 2dn6 n LEU 44 CO 0.35 0.37 -0.90 0.29 -1.33 0.00 0.00 177.39 176.17 2dn6 n LYS 45 N -3.33 0.29 -3.67 3.23 4.76 -1.26 -4.86 118.16 113.32 2dn6 n LYS 45 Ca -0.06 0.08 -0.37 0.00 -2.87 0.00 0.00 58.31 55.09 2dn6 n LYS 45 Cb 0.56 -1.18 -0.08 0.00 -1.84 0.00 0.00 35.03 32.49 2dn6 n LYS 45 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dn6 s ASP 46 N -5.36 5.49 0.47 4.39 1.11 -1.26 -5.08 116.67 116.42 2dn6 s ASP 46 Ca -0.16 -3.02 -0.23 0.00 0.18 0.00 0.00 52.55 49.31 2dn6 s ASP 46 Cb 0.05 -1.89 -0.07 0.00 1.07 0.00 0.00 42.92 42.08 2dn6 s ASP 46 CO 0.26 -0.35 1.23 -0.75 1.18 0.00 0.00 175.17 176.75 2dn6 s LYS 47 N -0.31 3.65 -0.18 8.23 2.20 -1.26 -3.22 119.74 128.84 2dn6 s LYS 47 Ca 0.19 1.95 -0.02 0.00 -0.36 0.00 0.00 55.97 57.73 2dn6 s LYS 47 Cb -0.17 -2.44 -0.10 0.00 -1.51 0.00 0.00 37.83 33.61 2dn6 s LYS 47 CO -0.05 -0.69 -0.19 1.63 -0.36 0.00 0.00 175.35 175.69 2dn6 n LYS 48 N -0.50 0.43 -3.81 4.03 4.76 -0.95 -4.95 118.16 117.17 2dn6 n LYS 48 Ca 0.07 0.13 0.02 0.00 -2.87 0.00 0.00 58.31 55.66 2dn6 n LYS 48 Cb 0.46 -1.29 0.01 0.00 -1.84 0.00 0.00 35.03 32.37 2dn6 n LYS 48 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2dn6 s GLY 49 N -5.58 -0.25 -0.02 0.72 0.00 -1.25 -5.04 107.32 95.89 2dn6 s GLY 49 Ca -0.25 0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.80 2dn6 s GLY 49 CO 0.38 2.90 -0.04 0.51 0.00 0.00 0.00 173.10 176.86 2dn6 s ASP 50 N -3.40 0.61 -0.62 1.64 -4.77 -1.26 -3.00 116.67 105.86 2dn6 s ASP 50 Ca 0.22 -0.08 -0.12 0.00 -3.30 0.00 0.00 52.55 49.26 2dn6 s ASP 50 Cb 0.02 -0.19 0.16 0.00 -1.09 0.00 0.00 42.92 41.82 2dn6 s ASP 50 CO -0.02 -0.01 0.54 -0.63 0.70 0.00 0.00 175.17 175.76 2dn6 s ILE 51 N 0.40 4.95 -0.55 2.11 1.01 0.10 -4.95 121.20 124.27 2dn6 s ILE 51 Ca -0.04 -2.03 -0.28 0.00 0.00 0.00 0.00 60.65 58.30 2dn6 s ILE 51 Cb -0.08 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 38.14 2dn6 s ILE 51 CO -0.00 -0.90 2.44 0.18 0.00 0.00 0.00 174.94 176.66 2dn6 n LEU 52 N 4.58 2.01 -4.78 2.97 4.77 -1.26 -2.48 117.00 122.82 2dn6 n LEU 52 Ca -0.01 -0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.31 2dn6 n LEU 52 Cb 0.42 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.04 2dn6 n LEU 52 CO 0.43 -1.33 0.79 -0.76 -1.33 0.00 0.00 177.39 175.19 2dn6 s LEU 53 N 11.17 4.01 -0.22 2.23 1.43 -1.25 -4.88 118.68 131.18 2dn6 s LEU 53 Ca 1.06 2.18 -0.30 0.00 -1.03 0.00 0.00 54.13 56.03 2dn6 s LEU 53 Cb -0.41 -4.28 0.16 0.00 0.03 0.00 0.00 46.19 41.68 2dn6 s LEU 53 CO 0.32 -0.80 1.19 1.51 0.23 0.00 0.00 176.35 178.80 2dn6 s ASP 54 N -1.51 -0.19 0.27 2.29 1.47 -1.26 -4.81 116.67 112.92 2dn6 s ASP 54 Ca 0.63 0.18 0.14 0.00 1.18 0.00 0.00 52.55 54.67 2dn6 s ASP 54 Cb -0.25 0.16 0.94 0.00 -0.34 0.00 0.00 42.92 43.43 2dn6 s ASP 54 CO 0.30 -0.19 1.16 -1.84 0.68 0.00 0.00 175.17 175.28 2dn6 n GLU 55 N 0.50 -0.05 0.03 2.11 0.00 -1.26 0.19 120.64 122.17 2dn6 n GLU 55 Ca -0.04 1.02 -0.12 0.00 0.00 0.00 0.00 57.16 58.02 2dn6 n GLU 55 Cb 0.58 -1.81 -0.07 0.00 0.00 0.00 0.00 31.44 30.14 2dn6 n GLU 55 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2dn6 h ASN 56 N 0.00 0.01 -3.96 -1.84 2.35 -1.96 -3.43 115.58 106.76 2dn6 h ASN 56 Ca 0.60 -0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 55.77 2dn6 h ASN 56 Cb 1.56 -0.00 0.09 0.00 0.05 0.00 0.00 38.32 40.02 2dn6 h ASN 56 CO -0.58 0.05 0.64 0.00 -1.65 0.00 0.00 177.43 175.89 2dn6 s VAL 59 N -3.92 2.67 0.05 0.00 0.11 -1.26 -0.80 120.40 117.25 2dn6 s VAL 59 Ca 0.13 -1.29 0.02 0.00 -2.93 0.00 0.00 61.98 57.91 2dn6 s VAL 59 Cb -0.02 -2.13 -0.03 0.00 -1.53 0.00 0.00 36.38 32.67 2dn6 s VAL 59 CO 0.03 0.29 -0.07 -1.83 -3.33 0.00 0.00 175.10 170.19 2dn6 s GLU 60 N -1.54 0.58 0.02 1.54 4.04 -0.35 -4.99 118.70 118.00 2dn6 s GLU 60 Ca 0.15 -0.89 -0.24 0.00 0.04 0.00 0.00 54.97 54.03 2dn6 s GLU 60 Cb -0.10 -0.21 -0.05 0.00 0.02 0.00 0.00 34.13 33.78 2dn6 s GLU 60 CO 0.05 0.02 0.71 -1.54 -1.84 0.00 0.00 175.26 172.67 2dn6 s SER 61 N -1.95 7.12 0.13 0.83 1.04 -1.26 -1.87 113.70 117.74 2dn6 s SER 61 Ca -0.05 1.34 0.05 0.00 0.48 0.00 0.00 55.95 57.77 2dn6 s SER 61 Cb -0.06 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 2dn6 s SER 61 CO -0.01 0.03 0.06 -0.76 0.98 0.00 0.00 173.24 173.53 2dn6 s LEU 62 N -0.01 3.60 0.00 2.42 1.43 -0.07 -4.93 118.68 121.11 2dn6 s LEU 62 Ca 0.36 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2dn6 s LEU 62 Cb -0.20 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 43.76 2dn6 s LEU 62 CO 0.21 0.13 0.00 -0.81 0.23 0.00 0.00 176.35 176.10 2dn6 n PRO 63 N 0.13 -0.92 -3.27 1.29 -0.04 -1.26 -3.97 135.00 126.96 2dn6 n PRO 63 Ca -0.09 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.98 2dn6 n PRO 63 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 2dn6 n PRO 63 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dn6 s ASP 64 N -1.51 6.61 0.18 3.54 1.11 -1.26 -4.49 116.67 120.84 2dn6 s ASP 64 Ca 0.00 0.73 -0.05 0.00 0.18 0.00 0.00 52.55 53.41 2dn6 s ASP 64 Cb 0.00 -2.29 -0.02 0.00 1.07 0.00 0.00 42.92 41.68 2dn6 s ASP 64 CO 0.00 -0.11 0.21 -1.59 1.18 0.00 0.00 175.17 174.87 2dn6 s LYS 65 N 1.22 1.18 -1.04 8.23 -2.85 -1.25 -4.87 119.74 120.35 2dn6 s LYS 65 Ca 0.25 -1.38 -0.13 0.00 -1.00 0.00 0.00 55.97 53.70 2dn6 s LYS 65 Cb -0.15 0.33 0.13 0.00 -2.06 0.00 0.00 37.83 36.08 2dn6 s LYS 65 CO 0.10 -0.41 0.33 -3.47 0.10 0.00 0.00 175.35 172.00 2dn6 n ASP 66 N -0.23 -1.24 -3.36 0.03 2.03 -1.26 0.19 116.55 112.72 2dn6 n ASP 66 Ca -0.03 -0.58 -0.19 0.00 0.52 0.00 0.00 54.79 54.51 2dn6 n ASP 66 Cb 0.64 -1.11 0.08 0.00 -0.72 0.00 0.00 41.12 40.01 2dn6 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dn6 n GLY 67 N -0.78 -0.39 3.54 0.27 0.00 -1.26 -5.02 105.19 101.56 2dn6 n GLY 67 Ca 0.07 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 2dn6 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dn6 s LYS 68 N -5.74 1.92 0.03 1.61 -0.14 0.51 -5.15 119.74 112.79 2dn6 s LYS 68 Ca 0.26 -1.64 0.03 0.00 -1.36 0.00 0.00 55.97 53.26 2dn6 s LYS 68 Cb -0.12 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 2dn6 s LYS 68 CO 0.69 0.33 -0.09 0.15 -0.76 0.00 0.00 175.35 175.68 2dn6 s LYS 69 N -3.58 0.58 -1.20 1.68 3.01 -1.26 -3.88 119.74 115.09 2dn6 s LYS 69 Ca 0.31 -0.65 -0.04 0.00 -1.01 0.00 0.00 55.97 54.58 2dn6 s LYS 69 Cb -0.05 -0.45 -0.02 0.00 -1.01 0.00 0.00 37.83 36.31 2dn6 s LYS 69 CO 0.17 0.10 0.84 0.00 0.51 0.00 0.00 175.35 176.96 2dn6 s LEU 71 N -6.28 4.14 0.07 0.00 1.43 -1.25 -3.24 118.68 113.54 2dn6 s LEU 71 Ca 0.16 1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.11 2dn6 s LEU 71 Cb -0.04 -3.77 0.03 0.00 0.03 0.00 0.00 46.19 42.44 2dn6 s LEU 71 CO 0.78 -0.11 0.36 0.72 0.23 0.00 0.00 176.35 178.33 2dn6 s PHE 72 N -1.87 -0.17 0.02 0.29 -0.12 -1.11 -0.90 117.98 114.13 2dn6 s PHE 72 Ca 0.49 0.01 -0.07 0.00 -0.05 0.00 0.00 56.93 57.31 2dn6 s PHE 72 Cb -0.11 0.17 -0.00 0.00 -0.63 0.00 0.00 43.02 42.45 2dn6 s PHE 72 CO 0.21 -0.58 0.13 -1.17 -0.05 0.00 0.00 175.22 173.75 2dn6 s LEU 73 N -2.28 1.64 -0.14 -1.99 0.20 -0.78 -2.17 118.68 113.16 2dn6 s LEU 73 Ca -0.02 -0.38 -0.02 0.00 0.69 0.00 0.00 54.13 54.39 2dn6 s LEU 73 Cb 0.00 0.69 -0.02 0.00 -0.43 0.00 0.00 46.19 46.43 2dn6 s LEU 73 CO -0.06 -0.46 -0.08 -0.69 -0.29 0.00 0.00 176.35 174.77 2dn6 s VAL 74 N -2.13 3.54 -0.26 1.68 1.01 0.69 -1.21 120.40 123.73 2dn6 s VAL 74 Ca -0.09 -0.49 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2dn6 s VAL 74 Cb -0.04 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 2dn6 s VAL 74 CO -0.02 0.51 0.04 -0.75 0.00 0.00 0.00 175.10 174.88 2dn6 s LYS 75 N 0.29 3.29 0.51 2.72 2.47 0.02 -1.83 119.74 127.21 2dn6 s LYS 75 Ca -0.06 -0.71 0.06 0.00 -1.56 0.00 0.00 55.97 53.70 2dn6 s LYS 75 Cb -0.15 -3.24 0.01 0.00 -1.46 0.00 0.00 37.83 33.00 2dn6 s LYS 75 CO 0.04 -0.31 0.33 0.00 0.16 0.00 0.00 175.35 175.57 2dn6 n PHE 77 N -1.62 -0.00 0.00 0.00 3.72 -1.26 -4.00 117.46 114.29 2dn6 n PHE 77 Ca -0.03 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2dn6 n PHE 77 Cb 0.64 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 2dn6 n PHE 77 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2dn6 n ASP 78 N -2.61 3.59 -4.87 4.37 9.92 -1.26 -5.07 116.55 120.62 2dn6 n ASP 78 Ca 0.00 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.95 2dn6 n ASP 78 Cb 0.00 0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.92 2dn6 n ASP 78 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2dn6 s LYS 79 N -1.63 3.79 0.09 -1.24 1.02 -1.26 -5.10 119.74 115.41 2dn6 s LYS 79 Ca 0.00 0.58 0.02 0.00 0.02 0.00 0.00 55.97 56.59 2dn6 s LYS 79 Cb 0.00 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 2dn6 s LYS 79 CO 0.00 -0.13 -0.07 0.95 -0.92 0.00 0.00 175.35 175.17 2dn6 s THR 80 N -2.50 0.70 -0.19 2.17 -4.23 -1.26 -1.55 115.64 108.78 2dn6 s THR 80 Ca 0.53 -1.73 -0.04 0.00 -1.18 0.00 0.00 61.69 59.27 2dn6 s THR 80 Cb -0.10 -1.43 0.09 0.00 1.34 0.00 0.00 72.50 72.39 2dn6 s THR 80 CO 0.33 -0.74 0.23 -0.36 -0.54 0.00 0.00 174.62 173.54 2dn6 s PHE 81 N -3.03 -0.30 -0.31 3.99 0.40 -0.76 -5.01 117.98 112.95 2dn6 s PHE 81 Ca 0.07 0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 56.62 2dn6 s PHE 81 Cb 0.01 -0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.20 2dn6 s PHE 81 CO -0.03 -0.56 0.21 -2.00 0.70 0.00 0.00 175.22 173.54 2dn6 s GLU 82 N 2.34 3.63 0.14 0.44 2.12 -1.26 -0.22 118.70 125.89 2dn6 s GLU 82 Ca 0.06 -0.54 0.09 0.00 0.36 0.00 0.00 54.97 54.95 2dn6 s GLU 82 Cb -0.15 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.49 2dn6 s GLU 82 CO -0.11 -0.34 -0.21 0.42 -0.54 0.00 0.00 175.26 174.47 2dn6 s ILE 83 N 1.72 1.93 -0.06 -3.70 1.01 -0.92 -1.11 121.20 120.07 2dn6 s ILE 83 Ca 0.06 -1.78 0.06 0.00 0.00 0.00 0.00 60.65 59.00 2dn6 s ILE 83 Cb -0.17 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 2dn6 s ILE 83 CO 0.10 -0.13 -0.25 -0.55 0.00 0.00 0.00 174.94 174.11 2dn6 s SER 84 N -2.30 3.04 0.36 3.58 0.15 0.15 -2.75 113.70 115.93 2dn6 s SER 84 Ca 0.13 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.31 2dn6 s SER 84 Cb -0.08 -0.84 -0.01 0.00 -1.71 0.00 0.00 66.02 63.38 2dn6 s SER 84 CO 0.06 0.24 0.52 0.00 1.20 0.00 0.00 173.24 175.26 2dn6 s ALA 85 N -0.16 3.98 -0.14 5.45 0.00 -1.20 -2.49 121.76 127.21 2dn6 s ALA 85 Ca -0.04 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.57 2dn6 s ALA 85 Cb -0.14 -1.87 -0.08 0.00 0.00 0.00 0.00 23.12 21.03 2dn6 s ALA 85 CO 0.04 -0.09 0.09 1.03 0.00 0.00 0.00 175.76 176.82 2dn6 h SER 86 N 0.77 0.00 -2.09 0.00 0.87 -1.86 -3.45 113.55 107.79 2dn6 h SER 86 Ca -0.47 -0.24 -0.61 0.00 -1.23 0.00 0.00 61.79 59.24 2dn6 h SER 86 Cb 1.25 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.08 2dn6 h SER 86 CO 0.56 0.84 -0.51 -0.62 -0.53 0.00 0.00 176.83 176.57 2dn6 s ASP 87 N -5.94 3.32 0.32 6.23 2.15 -1.26 -4.92 116.67 116.56 2dn6 s ASP 87 Ca -0.13 -1.68 0.02 0.00 0.43 0.00 0.00 52.55 51.19 2dn6 s ASP 87 Cb 0.01 0.53 0.54 0.00 -0.30 0.00 0.00 42.92 43.70 2dn6 s ASP 87 CO 0.28 -0.91 1.90 0.11 -0.17 0.00 0.00 175.17 176.38 2dn6 h LYS 88 N 1.61 0.74 0.50 4.34 1.57 -1.94 -2.17 116.57 121.23 2dn6 h LYS 88 Ca -0.38 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 2dn6 h LYS 88 Cb 1.29 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2dn6 h LYS 88 CO 0.63 0.62 -0.50 -0.22 -0.57 0.00 0.00 179.45 179.42 2dn6 h LYS 89 N 0.73 -0.96 0.74 3.15 1.63 -1.98 -1.19 116.57 118.70 2dn6 h LYS 89 Ca 0.17 0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 60.01 2dn6 h LYS 89 Cb 0.17 0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2dn6 h LYS 89 CO -0.01 -0.64 -0.45 0.87 -3.45 0.00 0.00 179.45 175.77 2dn6 h LYS 90 N -0.99 -1.07 -0.85 1.90 6.56 -1.95 0.39 116.57 120.56 2dn6 h LYS 90 Ca -0.06 0.07 0.08 0.00 -1.06 0.00 0.00 60.65 59.68 2dn6 h LYS 90 Cb 0.86 0.24 -0.10 0.00 -0.57 0.00 0.00 32.23 32.66 2dn6 h LYS 90 CO -0.06 -0.71 -0.50 1.17 -2.06 0.00 0.00 179.45 177.29 2dn6 n LYS 91 N -5.26 -0.38 0.18 3.15 0.00 -0.82 0.50 118.16 115.53 2dn6 n LYS 91 Ca -0.14 1.34 -0.07 0.00 0.00 0.00 0.00 58.31 59.44 2dn6 n LYS 91 Cb 0.46 -1.96 -0.03 0.00 0.00 0.00 0.00 35.03 33.49 2dn6 n LYS 91 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 2dn6 h GLN 92 N 0.00 -0.46 -1.53 1.64 4.15 -1.16 -0.89 115.11 116.86 2dn6 h GLN 92 Ca 0.14 0.03 0.48 0.00 0.77 0.00 0.00 58.65 60.07 2dn6 h GLN 92 Cb 0.35 0.10 -0.10 0.00 0.21 0.00 0.00 27.48 28.05 2dn6 h GLN 92 CO -0.80 -0.31 1.06 0.39 -1.93 0.00 0.00 178.83 177.24 2dn6 n GLU 93 N -3.59 -0.02 -0.01 1.69 -0.58 0.14 -0.28 120.64 118.00 2dn6 n GLU 93 Ca -0.06 1.05 -0.00 0.00 -0.42 0.00 0.00 57.16 57.73 2dn6 n GLU 93 Cb 0.19 -2.25 -0.00 0.00 -0.57 0.00 0.00 31.44 28.81 2dn6 n GLU 93 CO 0.00 0.00 0.00 -1.49 -0.48 0.00 0.00 177.13 175.16 2dn6 h TRP 94 N 0.00 -0.02 -0.95 -0.32 4.06 0.19 -3.05 115.95 115.87 2dn6 h TRP 94 Ca 0.83 -0.00 0.28 0.00 2.06 0.00 0.00 58.89 62.06 2dn6 h TRP 94 Cb 3.02 0.01 -0.15 0.00 -1.00 0.00 0.00 29.16 31.03 2dn6 h TRP 94 CO -0.00 -0.01 0.39 0.82 -3.56 0.00 0.00 178.44 176.07 2dn6 h ILE 95 N -0.34 0.28 0.03 1.49 2.04 0.39 0.23 117.51 121.63 2dn6 h ILE 95 Ca -0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2dn6 h ILE 95 Cb 0.01 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.11 2dn6 h ILE 95 CO 0.00 0.04 -0.02 1.56 0.00 0.00 0.00 178.15 179.73 2dn6 h GLN 96 N 0.24 -0.05 -0.19 2.37 1.08 -0.79 0.77 115.11 118.55 2dn6 h GLN 96 Ca 0.65 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.84 2dn6 h GLN 96 Cb 1.42 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.85 2dn6 h GLN 96 CO -0.65 -0.03 0.08 0.00 -0.95 0.00 0.00 178.83 177.27 2dn6 h ALA 97 N 0.92 0.25 -0.22 3.87 0.00 -0.57 -1.51 119.26 122.00 2dn6 h ALA 97 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2dn6 h ALA 97 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2dn6 h ALA 97 CO -0.01 -0.18 0.05 0.82 0.00 0.00 0.00 179.25 179.94 2dn6 h ILE 98 N 0.17 0.91 -0.22 0.00 2.04 -0.65 0.26 117.51 120.02 2dn6 h ILE 98 Ca 0.06 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2dn6 h ILE 98 Cb 0.14 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2dn6 h ILE 98 CO -0.01 0.03 0.07 -0.74 0.00 0.00 0.00 178.15 177.50 2dn6 h HIS 99 N 0.14 0.12 -0.50 1.37 2.76 -0.75 -2.50 115.15 115.79 2dn6 h HIS 99 Ca 0.10 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 2dn6 h HIS 99 Cb 0.09 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2dn6 h HIS 99 CO -0.14 0.05 0.20 0.66 -1.30 0.00 0.00 177.93 177.41 2dn6 h SER 100 N 0.16 0.69 -1.00 3.26 4.64 -0.97 -2.35 113.55 117.99 2dn6 h SER 100 Ca 0.10 -0.17 0.19 0.00 -0.47 0.00 0.00 61.79 61.44 2dn6 h SER 100 Cb 0.07 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 61.88 2dn6 h SER 100 CO -0.11 0.67 0.61 0.74 -0.87 0.00 0.00 176.83 177.87 2dn6 h THR 101 N 0.67 0.70 -0.03 2.95 2.02 -0.16 -1.65 112.91 117.41 2dn6 h THR 101 Ca 0.17 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 2dn6 h THR 101 Cb 0.19 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2dn6 h THR 101 CO -0.01 0.13 -0.07 0.40 0.37 0.00 0.00 175.52 176.34 2dn6 h ILE 102 N 0.71 1.46 -0.93 3.11 2.04 -1.12 -3.25 117.51 119.54 2dn6 h ILE 102 Ca 0.57 -1.45 0.27 0.00 1.00 0.00 0.00 64.86 65.25 2dn6 h ILE 102 Cb 0.95 2.37 -0.16 0.00 -0.74 0.00 0.00 36.82 39.24 2dn6 h ILE 102 CO -0.36 0.39 0.20 -0.74 0.00 0.00 0.00 178.15 177.65 2dn6 h HIS 103 N -0.47 0.27 -0.91 1.37 2.76 -0.79 0.96 115.15 118.34 2dn6 h HIS 103 Ca -0.00 0.06 0.17 0.00 -2.20 0.00 0.00 60.37 58.39 2dn6 h HIS 103 Cb 0.67 0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.59 2dn6 h HIS 103 CO 0.13 -0.33 0.59 -0.07 -1.30 0.00 0.00 177.93 176.95 2dn6 h LEU 104 N 0.11 0.60 -0.93 0.26 3.38 -1.49 0.23 115.31 117.47 2dn6 h LEU 104 Ca 0.61 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.52 2dn6 h LEU 104 Cb 1.31 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2dn6 h LEU 104 CO -0.77 0.27 -0.51 -0.07 0.09 0.00 0.00 178.44 177.45 2dn6 h LEU 105 N 0.62 0.00 -0.66 1.67 3.38 0.84 -3.09 115.31 118.07 2dn6 h LEU 105 Ca 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.41 2dn6 h LEU 105 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2dn6 h LEU 105 CO -0.23 0.51 0.28 0.11 0.09 0.00 0.00 178.44 179.20 2dn6 h LYS 106 N 0.00 0.98 -0.63 1.13 1.57 -0.17 -3.00 116.57 116.45 2dn6 h LYS 106 Ca -0.01 -0.17 0.12 0.00 -1.87 0.00 0.00 60.65 58.72 2dn6 h LYS 106 Cb 0.95 -0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.97 2dn6 h LYS 106 CO 0.07 0.82 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.46 2dn6 h LEU 107 N 0.93 -0.83 -7.59 2.94 -0.00 -1.41 -3.21 115.31 106.14 2dn6 h LEU 107 Ca 0.22 0.21 -0.72 0.00 -0.00 0.00 0.00 57.88 57.59 2dn6 h LEU 107 Cb 0.19 0.48 -0.33 0.00 -0.00 0.00 0.00 40.66 41.00 2dn6 h LEU 107 CO -0.02 -0.26 -0.19 -0.83 -0.00 0.00 0.00 178.44 177.14 2dn6 s GLY 108 N -3.39 2.65 -0.24 0.83 0.00 -1.13 -5.04 107.32 101.00 2dn6 s GLY 108 Ca -0.14 -3.39 -0.05 0.00 0.00 0.00 0.00 44.72 41.14 2dn6 s GLY 108 CO 0.72 1.16 0.00 -1.35 0.00 0.00 0.00 173.10 173.63 2dn6 s SER 109 N 0.92 4.63 -0.10 1.64 1.04 -1.22 -4.93 113.70 115.68 2dn6 s SER 109 Ca 0.19 -0.42 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 2dn6 s SER 109 Cb -0.16 -1.80 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 2dn6 s SER 109 CO -0.06 -0.05 0.03 -0.55 0.98 0.00 0.00 173.24 173.59 2dn6 s SER 110 N 1.51 5.48 -0.29 7.02 0.15 -1.26 -5.07 113.70 121.23 2dn6 s SER 110 Ca 0.05 0.20 -0.29 0.00 0.70 0.00 0.00 55.95 56.61 2dn6 s SER 110 Cb -0.15 -1.63 0.01 0.00 -1.71 0.00 0.00 66.02 62.54 2dn6 s SER 110 CO -0.01 0.37 1.15 -0.83 1.20 0.00 0.00 173.24 175.12 2dn6 s GLY 111 N -0.81 1.53 0.38 9.45 0.00 -1.26 -5.01 107.32 111.59 2dn6 s GLY 111 Ca 0.13 0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.64 2dn6 s GLY 111 CO 0.03 2.38 1.20 2.56 0.00 0.00 0.00 173.10 179.26 2dn6 s PRO 112 N 3.75 4.16 -0.50 2.90 0.04 -1.26 -4.97 135.00 139.12 2dn6 s PRO 112 Ca 0.49 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 63.18 2dn6 s PRO 112 Cb -0.15 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.62 2dn6 s PRO 112 CO 0.17 -0.26 1.13 -1.54 0.04 0.00 0.00 177.00 176.54 2dn6 s SER 113 N -0.95 6.59 0.30 6.66 1.04 -1.26 -5.02 113.70 121.06 2dn6 s SER 113 Ca 0.54 0.37 0.06 0.00 0.48 0.00 0.00 55.95 57.41 2dn6 s SER 113 Cb -0.33 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.22 2dn6 s SER 113 CO 0.42 -1.28 0.37 -0.94 0.98 0.00 0.00 173.24 172.79 2dn6 s SER 114 N 2.54 5.82 0.00 7.02 1.04 -1.26 -5.36 113.70 123.50 2dn6 s SER 114 Ca 0.46 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2dn6 s SER 114 Cb -0.07 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2dn6 s SER 114 CO 0.30 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.86