#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 5.41 -0.06 1.61 0.01 -1.26 -5.06 113.70 114.35 2dn6 s SER 2 Ca 0.00 -1.46 0.01 0.00 1.31 0.00 0.00 55.95 55.80 2dn6 s SER 2 Cb 0.00 -1.90 0.02 0.00 0.21 0.00 0.00 66.02 64.35 2dn6 s SER 2 CO 0.00 -0.45 -0.05 -0.55 0.41 0.00 0.00 173.24 172.60 2dn6 s SER 3 N 1.78 1.30 0.06 2.44 0.15 -1.26 -5.11 113.70 113.05 2dn6 s SER 3 Ca 0.02 -0.16 -0.34 0.00 0.70 0.00 0.00 55.95 56.17 2dn6 s SER 3 Cb -0.22 -0.53 -0.18 0.00 -1.71 0.00 0.00 66.02 63.39 2dn6 s SER 3 CO 0.01 -0.08 0.83 0.61 1.20 0.00 0.00 173.24 175.82 2dn6 n GLY 4 N 4.32 -0.67 3.73 9.45 0.00 -1.26 -4.94 105.19 115.82 2dn6 n GLY 4 Ca -0.20 0.58 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 2dn6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn6 s SER 5 N -0.28 0.11 0.79 1.61 0.15 -1.26 -5.18 113.70 109.64 2dn6 s SER 5 Ca 0.76 -1.08 -0.08 0.00 0.70 0.00 0.00 55.95 56.26 2dn6 s SER 5 Cb -1.08 0.76 0.12 0.00 -1.71 0.00 0.00 66.02 64.12 2dn6 s SER 5 CO 0.52 -1.48 1.10 -0.55 1.20 0.00 0.00 173.24 174.03 2dn6 s SER 6 N -3.07 4.15 0.02 5.45 0.15 -1.26 -4.98 113.70 114.16 2dn6 s SER 6 Ca 0.18 0.13 -0.04 0.00 0.70 0.00 0.00 55.95 56.92 2dn6 s SER 6 Cb -0.04 -0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 63.75 2dn6 s SER 6 CO 0.12 -2.03 0.87 0.61 1.20 0.00 0.00 173.24 174.01 2dn6 n GLY 7 N -3.15 -2.43 2.73 9.45 0.00 -1.26 -4.38 105.19 106.15 2dn6 n GLY 7 Ca 0.12 0.55 -0.50 0.00 0.00 0.00 0.00 46.02 46.19 2dn6 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dn6 n VAL 8 N -3.17 0.00 -0.05 1.61 0.31 -1.26 -4.09 118.33 111.68 2dn6 n VAL 8 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2dn6 n VAL 8 Cb 0.04 -0.40 -0.00 0.00 -0.91 0.00 0.00 33.84 32.56 2dn6 n VAL 8 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2dn6 h LEU 9 N 6.42 0.00 -8.78 7.52 3.38 -0.91 -3.49 115.31 119.45 2dn6 h LEU 9 Ca -0.15 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.34 2dn6 h LEU 9 Cb 1.14 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.72 2dn6 h LEU 9 CO 0.86 0.51 -0.77 -0.75 0.09 0.00 0.00 178.44 178.38 2dn6 s LYS 10 N -1.65 1.22 -0.27 1.13 2.20 -1.17 -4.98 119.74 116.22 2dn6 s LYS 10 Ca -0.03 -1.40 -0.12 0.00 -0.36 0.00 0.00 55.97 54.05 2dn6 s LYS 10 Cb 0.00 -1.17 0.10 0.00 -1.51 0.00 0.00 37.83 35.25 2dn6 s LYS 10 CO 0.05 0.23 0.62 1.14 -0.36 0.00 0.00 175.35 177.03 2dn6 s GLN 11 N -2.95 0.59 0.19 4.03 -2.07 -1.26 -1.06 119.66 117.14 2dn6 s GLN 11 Ca 0.15 1.27 -0.22 0.00 -1.82 0.00 0.00 55.36 54.74 2dn6 s GLN 11 Cb -0.04 0.45 0.07 0.00 -1.09 0.00 0.00 33.01 32.40 2dn6 s GLN 11 CO 0.06 -0.18 0.99 0.20 -1.32 0.00 0.00 175.29 175.04 2dn6 s GLY 12 N 2.24 0.03 -0.55 2.60 0.00 -1.17 -4.99 107.32 105.48 2dn6 s GLY 12 Ca -0.07 -0.23 -0.21 0.00 0.00 0.00 0.00 44.72 44.20 2dn6 s GLY 12 CO -0.18 1.43 0.76 -0.19 0.00 0.00 0.00 173.10 174.92 2dn6 s TYR 13 N -2.51 2.93 0.25 1.90 2.02 -1.26 -1.92 117.35 118.76 2dn6 s TYR 13 Ca 0.18 -0.50 0.10 0.00 -0.37 0.00 0.00 57.07 56.48 2dn6 s TYR 13 Cb -0.02 -3.85 -0.04 0.00 -0.40 0.00 0.00 41.96 37.64 2dn6 s TYR 13 CO 0.05 -1.24 -0.07 -1.64 -1.57 0.00 0.00 175.55 171.08 2dn6 s MET 14 N 3.13 2.11 -0.32 -0.62 -1.94 -0.81 -4.87 119.30 115.98 2dn6 s MET 14 Ca 0.19 -1.45 -0.12 0.00 -1.71 0.00 0.00 55.69 52.60 2dn6 s MET 14 Cb -0.18 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.55 2dn6 s MET 14 CO 0.12 0.38 0.22 -1.64 -0.01 0.00 0.00 175.02 174.08 2dn6 s MET 15 N -3.43 3.55 -0.04 2.03 -1.94 -1.07 -0.39 119.30 118.01 2dn6 s MET 15 Ca 0.29 -0.60 -0.01 0.00 -1.71 0.00 0.00 55.69 53.67 2dn6 s MET 15 Cb -0.07 -3.74 -0.04 0.00 2.01 0.00 0.00 34.83 32.99 2dn6 s MET 15 CO 0.18 -0.39 0.03 0.21 -0.01 0.00 0.00 175.02 175.03 2dn6 s LYS 16 N 1.71 2.96 -0.20 2.03 2.20 -0.59 0.70 119.74 128.56 2dn6 s LYS 16 Ca 0.06 -0.48 -0.18 0.00 -0.36 0.00 0.00 55.97 55.01 2dn6 s LYS 16 Cb -0.17 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 2dn6 s LYS 16 CO 0.10 0.67 0.52 0.21 -0.36 0.00 0.00 175.35 176.48 2dn6 s LYS 17 N -1.33 4.18 0.14 4.03 2.20 0.11 -2.42 119.74 126.66 2dn6 s LYS 17 Ca 0.18 0.40 -0.28 0.00 -0.36 0.00 0.00 55.97 55.91 2dn6 s LYS 17 Cb -0.12 -3.57 -0.16 0.00 -1.51 0.00 0.00 37.83 32.47 2dn6 s LYS 17 CO 0.08 -0.16 0.60 0.41 -0.36 0.00 0.00 175.35 175.92 2dn6 n GLY 18 N 3.92 -1.28 0.31 5.54 0.00 -1.08 -4.59 105.19 108.00 2dn6 n GLY 18 Ca -0.05 0.41 -0.00 0.00 0.00 0.00 0.00 46.02 46.38 2dn6 n GLY 18 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dn6 n HIS 19 N 0.33 0.05 -2.47 1.61 8.25 -1.26 -1.69 115.22 120.03 2dn6 n HIS 19 Ca 0.17 0.99 -0.12 0.00 -0.26 0.00 0.00 57.72 58.50 2dn6 n HIS 19 Cb 0.19 -0.81 0.03 0.00 1.12 0.00 0.00 29.99 30.52 2dn6 n HIS 19 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2dn6 n ARG 20 N -5.19 2.56 -3.74 -0.41 5.12 -1.26 -5.04 116.66 108.69 2dn6 n ARG 20 Ca 0.09 -3.81 -0.14 0.00 -1.93 0.00 0.00 57.85 52.05 2dn6 n ARG 20 Cb 0.33 -1.90 -0.15 0.00 -1.16 0.00 0.00 32.46 29.58 2dn6 n ARG 20 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2dn6 s ARG 21 N -3.67 0.05 -0.45 5.56 0.52 -0.68 -5.04 118.95 115.23 2dn6 s ARG 21 Ca 0.38 0.34 -0.06 0.00 -0.52 0.00 0.00 55.73 55.87 2dn6 s ARG 21 Cb 0.37 -0.22 -0.14 0.00 0.52 0.00 0.00 34.95 35.48 2dn6 s ARG 21 CO -0.01 -0.19 3.26 1.17 0.02 0.00 0.00 175.30 179.55 2dn6 n LYS 22 N 4.35 2.53 -3.69 3.54 4.81 -1.26 -2.63 118.16 125.80 2dn6 n LYS 22 Ca -0.24 -1.65 -0.29 0.00 -0.87 0.00 0.00 58.31 55.26 2dn6 n LYS 22 Cb 0.51 -2.20 -0.13 0.00 0.02 0.00 0.00 35.03 33.23 2dn6 n LYS 22 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2dn6 s ASN 23 N 1.57 3.52 0.44 3.14 3.84 -1.26 -5.04 114.94 121.14 2dn6 s ASN 23 Ca 0.65 -2.81 -0.25 0.00 0.21 0.00 0.00 52.86 50.66 2dn6 s ASN 23 Cb 0.30 -1.02 -0.09 0.00 -0.55 0.00 0.00 41.25 39.89 2dn6 s ASN 23 CO -0.06 -0.24 1.19 0.79 -2.79 0.00 0.00 177.10 175.99 2dn6 n TRP 24 N 3.29 1.81 -3.72 0.43 7.02 -1.26 -4.16 117.44 120.84 2dn6 n TRP 24 Ca 0.12 0.51 -0.13 0.00 -1.02 0.00 0.00 57.50 56.98 2dn6 n TRP 24 Cb 0.36 -2.32 -0.10 0.00 -2.42 0.00 0.00 31.31 26.83 2dn6 n TRP 24 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2dn6 s THR 25 N -1.24 -0.00 0.48 -0.99 -4.23 -1.01 -4.98 115.64 103.66 2dn6 s THR 25 Ca 0.63 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.92 2dn6 s THR 25 Cb -0.51 -0.61 -0.07 0.00 1.34 0.00 0.00 72.50 72.65 2dn6 s THR 25 CO 0.56 0.00 1.19 -0.70 -0.54 0.00 0.00 174.62 175.14 2dn6 s GLU 26 N 0.29 3.64 -0.24 3.99 2.56 -1.26 -1.54 118.70 126.14 2dn6 s GLU 26 Ca -0.00 1.84 -0.26 0.00 0.00 0.00 0.00 54.97 56.54 2dn6 s GLU 26 Cb -0.03 -2.37 0.11 0.00 2.00 0.00 0.00 34.13 33.84 2dn6 s GLU 26 CO -0.00 -0.67 0.95 1.03 -0.56 0.00 0.00 175.26 176.02 2dn6 s ARG 27 N -2.75 0.61 0.21 4.30 0.52 0.48 -4.90 118.95 117.42 2dn6 s ARG 27 Ca 0.65 0.55 -0.30 0.00 -0.52 0.00 0.00 55.73 56.11 2dn6 s ARG 27 Cb -0.30 0.30 -0.08 0.00 0.52 0.00 0.00 34.95 35.38 2dn6 s ARG 27 CO 0.36 -0.11 1.19 -0.46 0.02 0.00 0.00 175.30 176.30 2dn6 s TRP 28 N -0.11 3.43 0.11 -0.53 -0.11 0.79 -1.92 118.94 120.61 2dn6 s TRP 28 Ca 0.01 1.47 0.10 0.00 1.22 0.00 0.00 56.10 58.89 2dn6 s TRP 28 Cb -0.04 -3.42 -0.04 0.00 -1.50 0.00 0.00 33.47 28.48 2dn6 s TRP 28 CO -0.02 -1.13 -0.24 -0.06 -4.62 0.00 0.00 176.95 170.88 2dn6 s PHE 29 N -0.28 2.05 -0.33 5.86 0.40 -0.81 0.39 117.98 125.26 2dn6 s PHE 29 Ca 0.51 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.43 2dn6 s PHE 29 Cb -0.33 -1.12 0.11 0.00 0.51 0.00 0.00 43.02 42.19 2dn6 s PHE 29 CO 0.38 0.26 0.14 0.08 0.70 0.00 0.00 175.22 176.78 2dn6 s VAL 30 N -1.10 0.63 -0.80 -0.44 1.01 0.87 -3.06 120.40 117.51 2dn6 s VAL 30 Ca 0.10 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 2dn6 s VAL 30 Cb -0.10 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2dn6 s VAL 30 CO 0.05 -0.76 1.71 -0.22 0.00 0.00 0.00 175.10 175.88 2dn6 s LEU 31 N 1.51 3.27 0.76 3.92 2.96 -0.22 -1.90 118.68 128.96 2dn6 s LEU 31 Ca 0.12 -0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 2dn6 s LEU 31 Cb -0.19 -2.55 0.04 0.00 0.50 0.00 0.00 46.19 44.00 2dn6 s LEU 31 CO -0.22 -2.24 1.10 -0.54 -1.32 0.00 0.00 176.35 173.14 2dn6 s LYS 32 N 6.41 2.44 0.35 1.98 3.01 0.13 -0.37 119.74 133.69 2dn6 s LYS 32 Ca 0.58 0.54 0.14 0.00 -1.01 0.00 0.00 55.97 56.23 2dn6 s LYS 32 Cb -0.08 -1.97 0.65 0.00 -1.01 0.00 0.00 37.83 35.43 2dn6 s LYS 32 CO 0.07 -1.35 1.76 -1.00 0.51 0.00 0.00 175.35 175.34 2dn6 h PRO 33 N -0.89 0.00 0.00 -1.68 0.13 -1.94 -3.26 132.00 124.37 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 1.26 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.27 2dn6 h PRO 33 CO 0.62 0.43 -0.58 -1.71 -0.23 0.00 0.00 178.00 176.53 2dn6 n ASN 34 N -3.85 1.13 -3.87 1.44 5.15 -1.26 -4.84 115.26 109.15 2dn6 n ASN 34 Ca -0.01 -2.61 0.04 0.00 -0.60 0.00 0.00 54.58 51.39 2dn6 n ASN 34 Cb 0.48 -0.35 0.01 0.00 -0.53 0.00 0.00 39.78 39.39 2dn6 n ASN 34 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2dn6 s ILE 35 N -1.24 0.00 -0.26 -1.44 2.07 -1.23 -3.95 121.20 115.15 2dn6 s ILE 35 Ca 0.25 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.40 2dn6 s ILE 35 Cb 0.26 -2.77 0.13 0.00 0.13 0.00 0.00 42.46 40.20 2dn6 s ILE 35 CO -0.06 0.00 0.31 -0.63 -1.91 0.00 0.00 174.94 172.64 2dn6 s ILE 36 N -2.04 -0.45 0.42 2.00 1.01 -0.99 0.21 121.20 121.35 2dn6 s ILE 36 Ca 0.28 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.73 2dn6 s ILE 36 Cb 0.01 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.62 2dn6 s ILE 36 CO -0.03 -0.30 0.53 -0.44 0.00 0.00 0.00 174.94 174.70 2dn6 s SER 37 N 2.41 5.53 -0.21 3.58 0.01 -0.80 -0.90 113.70 123.33 2dn6 s SER 37 Ca 0.10 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.81 2dn6 s SER 37 Cb -0.15 -0.65 0.10 0.00 0.21 0.00 0.00 66.02 65.54 2dn6 s SER 37 CO -0.23 -0.73 0.41 -0.72 0.41 0.00 0.00 173.24 172.38 2dn6 s TYR 38 N -2.37 -0.83 -0.15 2.43 1.13 -1.25 -0.09 117.35 116.22 2dn6 s TYR 38 Ca 0.53 1.37 -0.07 0.00 -1.41 0.00 0.00 57.07 57.50 2dn6 s TYR 38 Cb -0.09 0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 2dn6 s TYR 38 CO 0.32 -0.55 0.09 0.71 -2.51 0.00 0.00 175.55 173.61 2dn6 s TYR 39 N 2.60 3.38 0.57 -3.49 1.51 0.16 -3.05 117.35 119.03 2dn6 s TYR 39 Ca 0.02 0.29 0.17 0.00 -1.01 0.00 0.00 57.07 56.54 2dn6 s TYR 39 Cb -0.13 -1.99 0.93 0.00 -0.11 0.00 0.00 41.96 40.66 2dn6 s TYR 39 CO -0.14 0.44 1.50 -0.39 -1.11 0.00 0.00 175.55 175.84 2dn6 h VAL 40 N 4.40 0.00 -4.49 0.71 -1.51 -1.67 0.23 116.25 113.91 2dn6 h VAL 40 Ca -0.46 0.00 -0.38 0.00 -1.23 0.00 0.00 66.70 64.63 2dn6 h VAL 40 Cb 1.19 0.38 -0.14 0.00 -2.13 0.00 0.00 31.29 30.59 2dn6 h VAL 40 CO 0.64 0.00 -0.55 -0.44 -1.23 0.00 0.00 177.57 175.99 2dn6 s SER 41 N -3.76 1.15 -0.27 4.19 0.01 -1.26 -4.25 113.70 109.53 2dn6 s SER 41 Ca -0.02 -1.58 0.04 0.00 1.31 0.00 0.00 55.95 55.70 2dn6 s SER 41 Cb 0.05 0.45 0.46 0.00 0.21 0.00 0.00 66.02 67.19 2dn6 s SER 41 CO 0.15 -0.94 1.54 -1.84 0.41 0.00 0.00 173.24 172.57 2dn6 n GLU 42 N -0.50 2.17 -0.02 12.44 0.28 -1.26 -3.91 120.64 129.84 2dn6 n GLU 42 Ca 0.04 -1.99 0.06 0.00 -0.16 0.00 0.00 57.16 55.11 2dn6 n GLU 42 Cb 0.64 -1.82 -0.13 0.00 1.43 0.00 0.00 31.44 31.56 2dn6 n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2dn6 n ASP 43 N -0.38 1.03 -1.87 -1.84 2.03 -1.26 -5.01 116.55 109.25 2dn6 n ASP 43 Ca 0.35 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.54 2dn6 n ASP 43 Cb 1.19 1.64 0.03 0.00 -0.72 0.00 0.00 41.12 43.26 2dn6 n ASP 43 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2dn6 n LEU 44 N -2.19 -2.35 -0.06 -2.67 4.77 -1.25 -4.94 117.00 108.32 2dn6 n LEU 44 Ca -0.07 -0.20 -0.12 0.00 -0.03 0.00 0.00 56.01 55.60 2dn6 n LEU 44 Cb 0.55 -1.84 -0.05 0.00 -2.33 0.00 0.00 43.42 39.75 2dn6 n LEU 44 CO 0.36 0.20 -0.90 0.29 -1.33 0.00 0.00 177.39 176.01 2dn6 n LYS 45 N -2.64 0.26 -3.32 3.23 4.76 -1.26 -4.90 118.16 114.29 2dn6 n LYS 45 Ca -0.04 0.10 -0.46 0.00 -2.87 0.00 0.00 58.31 55.04 2dn6 n LYS 45 Cb 0.55 -1.00 -0.04 0.00 -1.84 0.00 0.00 35.03 32.70 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 -5.83 6.31 0.09 4.39 1.11 -1.26 -5.06 116.67 116.43 2dn6 s ASP 46 Ca -0.16 -2.00 -0.12 0.00 0.18 0.00 0.00 52.55 50.45 2dn6 s ASP 46 Cb 0.06 -2.21 -0.06 0.00 1.07 0.00 0.00 42.92 41.78 2dn6 s ASP 46 CO 0.22 -0.79 0.45 -0.75 1.18 0.00 0.00 175.17 175.48 2dn6 s LYS 47 N 1.26 3.85 -0.26 8.23 2.20 -1.26 -2.11 119.74 131.65 2dn6 s LYS 47 Ca 0.06 0.30 0.02 0.00 -0.36 0.00 0.00 55.97 56.00 2dn6 s LYS 47 Cb -0.25 -3.00 -0.17 0.00 -1.51 0.00 0.00 37.83 32.90 2dn6 s LYS 47 CO 0.00 0.54 -0.22 1.63 -0.36 0.00 0.00 175.35 176.95 2dn6 n LYS 48 N 0.95 0.65 -0.70 4.03 4.76 -1.17 -4.95 118.16 121.74 2dn6 n LYS 48 Ca -0.08 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2dn6 n LYS 48 Cb 0.52 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 2dn6 n LYS 48 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dn6 n GLY 49 N 2.24 1.25 3.30 0.72 0.00 -1.26 -5.11 105.19 106.34 2dn6 n GLY 49 Ca -0.46 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 2dn6 n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dn6 s ASP 50 N 0.74 -0.44 -0.53 1.61 -4.77 -1.26 -3.97 116.67 108.05 2dn6 s ASP 50 Ca 0.00 0.84 -0.11 0.00 -3.30 0.00 0.00 52.55 49.97 2dn6 s ASP 50 Cb 0.00 0.84 0.13 0.00 -1.09 0.00 0.00 42.92 42.80 2dn6 s ASP 50 CO 0.00 -0.15 0.43 -0.63 0.70 0.00 0.00 175.17 175.53 2dn6 s ILE 51 N 0.33 4.61 -0.41 2.11 1.01 -0.08 -4.98 121.20 123.80 2dn6 s ILE 51 Ca -0.01 -1.81 -0.29 0.00 0.00 0.00 0.00 60.65 58.54 2dn6 s ILE 51 Cb -0.03 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.36 2dn6 s ILE 51 CO -0.01 -0.83 2.34 0.18 0.00 0.00 0.00 174.94 176.62 2dn6 n LEU 52 N 4.87 2.47 -4.73 2.97 4.77 -1.26 -2.34 117.00 123.74 2dn6 n LEU 52 Ca -0.07 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.43 2dn6 n LEU 52 Cb 0.41 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2dn6 n LEU 52 CO 0.45 -1.07 0.92 -0.76 -1.33 0.00 0.00 177.39 175.59 2dn6 s LEU 53 N 9.87 4.43 -0.03 2.23 1.43 -1.25 -4.90 118.68 130.46 2dn6 s LEU 53 Ca 1.04 2.25 -0.27 0.00 -1.03 0.00 0.00 54.13 56.13 2dn6 s LEU 53 Cb -0.42 -3.60 0.06 0.00 0.03 0.00 0.00 46.19 42.26 2dn6 s LEU 53 CO 0.35 -0.43 0.59 -1.81 0.23 0.00 0.00 176.35 175.27 2dn6 s ASP 54 N 0.32 -0.54 0.42 2.29 1.01 -1.26 -4.80 116.67 114.12 2dn6 s ASP 54 Ca 0.55 0.51 0.32 0.00 0.71 0.00 0.00 52.55 54.64 2dn6 s ASP 54 Cb -0.33 0.49 1.40 0.00 1.01 0.00 0.00 42.92 45.49 2dn6 s ASP 54 CO 0.36 -0.60 1.43 -1.84 0.21 0.00 0.00 175.17 174.72 2dn6 n GLU 55 N 0.89 -0.03 0.32 8.23 0.00 -1.26 0.46 120.64 129.25 2dn6 n GLU 55 Ca -0.19 1.12 -0.16 0.00 0.00 0.00 0.00 57.16 57.92 2dn6 n GLU 55 Cb 0.57 -2.26 -0.08 0.00 0.00 0.00 0.00 31.44 29.67 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 -0.69 -3.38 -1.84 2.35 -1.95 -3.44 115.58 106.63 2dn6 h ASN 56 Ca 0.81 -0.02 -0.57 0.00 -0.55 0.00 0.00 56.30 55.97 2dn6 h ASN 56 Cb 2.74 0.18 0.15 0.00 0.05 0.00 0.00 38.32 41.44 2dn6 h ASN 56 CO -0.36 -0.39 0.12 0.00 -1.65 0.00 0.00 177.43 175.15 2dn6 s VAL 59 N -3.90 1.97 -0.01 0.00 0.11 -1.26 -0.45 120.40 116.85 2dn6 s VAL 59 Ca 0.11 -1.05 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 2dn6 s VAL 59 Cb -0.03 -1.64 -0.00 0.00 -1.53 0.00 0.00 36.38 33.17 2dn6 s VAL 59 CO 0.02 0.55 -0.07 -1.83 -3.33 0.00 0.00 175.10 170.44 2dn6 s GLU 60 N -0.45 0.71 -0.07 1.54 -1.05 0.11 -4.99 118.70 114.49 2dn6 s GLU 60 Ca 0.06 -0.25 -0.27 0.00 -0.15 0.00 0.00 54.97 54.35 2dn6 s GLU 60 Cb -0.11 -0.68 -0.03 0.00 -0.44 0.00 0.00 34.13 32.87 2dn6 s GLU 60 CO 0.00 0.12 0.88 -1.54 0.95 0.00 0.00 175.26 175.67 2dn6 s SER 61 N 0.04 7.16 -0.02 0.83 1.04 -1.26 -0.35 113.70 121.13 2dn6 s SER 61 Ca -0.00 1.41 0.01 0.00 0.48 0.00 0.00 55.95 57.85 2dn6 s SER 61 Cb -0.06 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 2dn6 s SER 61 CO -0.00 -0.29 -0.02 -0.76 0.98 0.00 0.00 173.24 173.15 2dn6 s LEU 62 N 1.38 3.42 0.00 2.42 1.43 0.21 -4.92 118.68 122.61 2dn6 s LEU 62 Ca 0.45 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2dn6 s LEU 62 Cb -0.19 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.13 2dn6 s LEU 62 CO 0.20 0.31 0.00 -0.81 0.23 0.00 0.00 176.35 176.28 2dn6 n PRO 63 N 1.65 0.23 -2.72 1.29 -0.04 -1.26 -2.71 135.00 131.44 2dn6 n PRO 63 Ca -0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 2dn6 n PRO 63 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 2dn6 n PRO 63 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dn6 s ASP 64 N -1.51 7.19 -0.01 3.54 1.47 -1.26 -4.58 116.67 121.51 2dn6 s ASP 64 Ca 0.00 1.47 -0.04 0.00 1.18 0.00 0.00 52.55 55.16 2dn6 s ASP 64 Cb 0.00 -2.54 -0.02 0.00 -0.34 0.00 0.00 42.92 40.02 2dn6 s ASP 64 CO 0.00 -0.44 -0.08 2.29 0.68 0.00 0.00 175.17 177.62 2dn6 n LYS 65 N 5.07 0.12 -2.93 2.11 2.85 -1.26 -4.86 118.16 119.26 2dn6 n LYS 65 Ca 0.08 0.05 -0.26 0.00 -1.05 0.00 0.00 58.31 57.13 2dn6 n LYS 65 Cb 0.49 -0.71 -0.04 0.00 -0.65 0.00 0.00 35.03 34.12 2dn6 n LYS 65 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dn6 n ASP 66 N -3.48 4.20 -2.88 -5.58 2.03 -1.26 -4.87 116.55 104.71 2dn6 n ASP 66 Ca -0.08 -3.63 -0.20 0.00 0.52 0.00 0.00 54.79 51.40 2dn6 n ASP 66 Cb 0.36 -0.56 0.05 0.00 -0.72 0.00 0.00 41.12 40.25 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 -0.22 -0.36 3.80 0.27 0.00 -1.26 -5.01 105.19 102.41 2dn6 n GLY 67 Ca 0.31 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 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 -5.80 2.37 -0.03 1.61 -0.14 -1.26 -5.15 119.74 111.34 2dn6 s LYS 68 Ca 0.37 -1.70 -0.03 0.00 -1.36 0.00 0.00 55.97 53.25 2dn6 s LYS 68 Cb -0.16 -2.17 0.01 0.00 -1.68 0.00 0.00 37.83 33.83 2dn6 s LYS 68 CO 0.46 -0.15 0.08 0.15 -0.76 0.00 0.00 175.35 175.13 2dn6 s LYS 69 N -4.01 0.14 -1.25 1.68 3.01 -1.26 -4.43 119.74 113.61 2dn6 s LYS 69 Ca 0.44 0.03 -0.01 0.00 -1.01 0.00 0.00 55.97 55.43 2dn6 s LYS 69 Cb 0.01 0.06 0.00 0.00 -1.01 0.00 0.00 37.83 36.89 2dn6 s LYS 69 CO 0.25 -0.02 0.93 0.00 0.51 0.00 0.00 175.35 177.02 2dn6 s LEU 71 N -6.56 4.03 -0.18 0.00 1.43 -1.10 -3.78 118.68 112.53 2dn6 s LEU 71 Ca 0.07 1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 54.70 2dn6 s LEU 71 Cb -0.03 -4.36 0.06 0.00 0.03 0.00 0.00 46.19 41.89 2dn6 s LEU 71 CO 0.76 -0.28 0.43 0.72 0.23 0.00 0.00 176.35 178.21 2dn6 s PHE 72 N -2.05 -0.64 0.05 0.29 -0.12 -1.18 0.63 117.98 114.98 2dn6 s PHE 72 Ca 0.58 1.35 0.09 0.00 -0.05 0.00 0.00 56.93 58.91 2dn6 s PHE 72 Cb -0.11 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 2dn6 s PHE 72 CO 0.15 -0.36 -0.26 -1.17 -0.05 0.00 0.00 175.22 173.54 2dn6 s LEU 73 N 1.41 2.19 -0.19 -1.99 0.20 0.52 -2.45 118.68 118.37 2dn6 s LEU 73 Ca -0.10 -0.61 -0.07 0.00 0.69 0.00 0.00 54.13 54.05 2dn6 s LEU 73 Cb -0.08 -1.28 -0.04 0.00 -0.43 0.00 0.00 46.19 44.36 2dn6 s LEU 73 CO -0.13 0.25 0.05 -0.69 -0.29 0.00 0.00 176.35 175.54 2dn6 s VAL 74 N -0.84 4.65 -0.23 1.68 1.01 0.59 -0.71 120.40 126.55 2dn6 s VAL 74 Ca 0.12 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 2dn6 s VAL 74 Cb -0.10 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 2dn6 s VAL 74 CO 0.03 0.45 0.05 -0.75 0.00 0.00 0.00 175.10 174.87 2dn6 s LYS 75 N 0.54 3.69 0.49 2.72 2.47 0.41 -1.90 119.74 128.16 2dn6 s LYS 75 Ca 0.03 -0.47 0.04 0.00 -1.56 0.00 0.00 55.97 54.00 2dn6 s LYS 75 Cb -0.13 -3.24 -0.02 0.00 -1.46 0.00 0.00 37.83 32.98 2dn6 s LYS 75 CO 0.01 -0.07 0.11 0.00 0.16 0.00 0.00 175.35 175.56 2dn6 n PHE 77 N -1.33 0.00 0.00 0.00 3.72 -1.26 -4.02 117.46 114.57 2dn6 n PHE 77 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 2dn6 n PHE 77 Cb 0.66 -0.31 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 -2.56 3.81 -4.90 4.37 9.92 -1.26 -5.07 116.55 120.85 2dn6 n ASP 78 Ca 0.00 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 2dn6 n ASP 78 Cb 0.00 0.55 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 2dn6 n ASP 78 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2dn6 s LYS 79 N -1.66 3.54 0.00 -1.24 -2.85 -1.26 -5.10 119.74 111.17 2dn6 s LYS 79 Ca 0.00 0.23 -0.06 0.00 -1.00 0.00 0.00 55.97 55.14 2dn6 s LYS 79 Cb 0.00 -2.36 -0.00 0.00 -2.06 0.00 0.00 37.83 33.41 2dn6 s LYS 79 CO 0.00 -0.23 0.11 0.95 0.10 0.00 0.00 175.35 176.27 2dn6 s THR 80 N -2.77 0.08 -0.10 3.79 -4.23 -1.26 -1.60 115.64 109.55 2dn6 s THR 80 Ca 0.48 -0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 60.28 2dn6 s THR 80 Cb -0.10 -0.39 0.04 0.00 1.34 0.00 0.00 72.50 73.39 2dn6 s THR 80 CO 0.45 -0.38 0.02 -0.36 -0.54 0.00 0.00 174.62 173.82 2dn6 s PHE 81 N -1.31 0.59 -0.26 3.99 0.40 -0.80 -4.95 117.98 115.64 2dn6 s PHE 81 Ca -0.14 -0.23 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 2dn6 s PHE 81 Cb -0.08 -0.78 -0.03 0.00 0.51 0.00 0.00 43.02 42.64 2dn6 s PHE 81 CO 0.01 -0.37 0.10 -2.00 0.70 0.00 0.00 175.22 173.65 2dn6 s GLU 82 N 2.00 3.71 0.23 0.44 2.12 -1.26 -0.30 118.70 125.64 2dn6 s GLU 82 Ca 0.04 -0.45 0.09 0.00 0.36 0.00 0.00 54.97 55.01 2dn6 s GLU 82 Cb -0.13 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 2dn6 s GLU 82 CO -0.06 -0.19 -0.17 0.42 -0.54 0.00 0.00 175.26 174.72 2dn6 s ILE 83 N 1.65 2.04 -0.07 -3.70 1.01 -1.03 -0.71 121.20 120.38 2dn6 s ILE 83 Ca 0.06 -2.29 0.01 0.00 0.00 0.00 0.00 60.65 58.44 2dn6 s ILE 83 Cb -0.15 -2.14 0.02 0.00 0.01 0.00 0.00 42.46 40.19 2dn6 s ILE 83 CO 0.05 -0.51 -0.09 -0.94 0.00 0.00 0.00 174.94 173.45 2dn6 s SER 84 N -3.38 1.71 0.75 3.58 1.04 0.22 -3.08 113.70 114.53 2dn6 s SER 84 Ca 0.25 -0.26 -0.07 0.00 0.48 0.00 0.00 55.95 56.36 2dn6 s SER 84 Cb -0.03 -0.74 0.10 0.00 0.10 0.00 0.00 66.02 65.46 2dn6 s SER 84 CO 0.10 -0.04 1.06 0.00 0.98 0.00 0.00 173.24 175.35 2dn6 s ALA 85 N 1.06 3.10 -0.24 5.32 0.00 -1.25 -2.61 121.76 127.14 2dn6 s ALA 85 Ca -0.08 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.60 2dn6 s ALA 85 Cb -0.14 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 20.36 2dn6 s ALA 85 CO -0.01 -1.53 -0.34 0.45 0.00 0.00 0.00 175.76 174.33 2dn6 n SER 86 N -3.05 1.95 -4.37 0.00 2.88 -1.26 -4.88 113.62 104.88 2dn6 n SER 86 Ca 0.11 0.34 -0.22 0.00 -1.33 0.00 0.00 58.87 57.76 2dn6 n SER 86 Cb 0.60 -0.79 -0.11 0.00 -0.75 0.00 0.00 64.21 63.16 2dn6 n SER 86 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2dn6 s ASP 87 N -6.86 2.94 0.34 -3.46 -4.77 -1.26 -5.00 116.67 98.60 2dn6 s ASP 87 Ca -0.35 -0.93 0.14 0.00 -3.30 0.00 0.00 52.55 48.12 2dn6 s ASP 87 Cb 0.10 -0.19 1.05 0.00 -1.09 0.00 0.00 42.92 42.79 2dn6 s ASP 87 CO 0.47 -0.02 1.68 0.11 0.70 0.00 0.00 175.17 178.10 2dn6 h LYS 88 N 2.92 0.37 0.49 2.11 1.57 -1.96 -0.46 116.57 121.62 2dn6 h LYS 88 Ca -0.42 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 2dn6 h LYS 88 Cb 1.22 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 2dn6 h LYS 88 CO 0.54 0.25 -0.44 -0.22 -0.57 0.00 0.00 179.45 179.01 2dn6 h LYS 89 N 0.38 -0.90 0.32 3.15 3.64 -1.99 -0.98 116.57 120.20 2dn6 h LYS 89 Ca 0.71 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 60.15 2dn6 h LYS 89 Cb 1.59 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 33.58 2dn6 h LYS 89 CO -0.56 -0.60 -0.46 0.87 -2.27 0.00 0.00 179.45 176.43 2dn6 h LYS 90 N -0.93 -0.79 -0.26 1.90 1.57 -1.52 0.13 116.57 116.67 2dn6 h LYS 90 Ca -0.05 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2dn6 h LYS 90 Cb 0.81 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.26 2dn6 h LYS 90 CO -0.04 -0.53 -0.22 -0.22 -0.57 0.00 0.00 179.45 177.88 2dn6 h LYS 91 N -0.82 -0.08 0.03 3.15 3.11 -1.33 0.25 116.57 120.87 2dn6 h LYS 91 Ca -0.04 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 2dn6 h LYS 91 Cb 0.75 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.98 2dn6 h LYS 91 CO -0.13 -0.05 -0.13 0.37 -2.81 0.00 0.00 179.45 176.69 2dn6 h GLN 92 N -0.08 -0.18 -0.89 1.90 4.15 -1.10 0.12 115.11 119.02 2dn6 h GLN 92 Ca 0.04 0.01 0.26 0.00 0.77 0.00 0.00 58.65 59.73 2dn6 h GLN 92 Cb 0.20 0.04 -0.17 0.00 0.21 0.00 0.00 27.48 27.76 2dn6 h GLN 92 CO -0.29 -0.12 0.06 0.39 -1.93 0.00 0.00 178.83 176.94 2dn6 n GLU 93 N -3.19 -0.07 0.23 1.69 -0.58 0.44 -0.10 120.64 119.06 2dn6 n GLU 93 Ca -0.02 1.33 -0.09 0.00 -0.42 0.00 0.00 57.16 57.96 2dn6 n GLU 93 Cb 0.10 -2.13 -0.04 0.00 -0.57 0.00 0.00 31.44 28.80 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 -0.55 -0.56 -0.32 4.06 0.21 -0.98 115.95 117.81 2dn6 h TRP 94 Ca 0.56 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.60 2dn6 h TRP 94 Cb 1.19 0.18 -0.11 0.00 -1.00 0.00 0.00 29.16 29.42 2dn6 h TRP 94 CO -0.42 -0.34 -0.34 0.82 -3.56 0.00 0.00 178.44 174.60 2dn6 h ILE 95 N -0.73 0.17 -0.20 1.49 2.04 0.10 0.23 117.51 120.62 2dn6 h ILE 95 Ca -0.06 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.85 2dn6 h ILE 95 Cb 0.46 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2dn6 h ILE 95 CO 0.10 0.00 -0.13 1.56 0.00 0.00 0.00 178.15 179.68 2dn6 h GLN 96 N -0.18 -0.12 -0.58 2.37 1.08 -0.57 0.19 115.11 117.30 2dn6 h GLN 96 Ca 0.22 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.49 2dn6 h GLN 96 Cb 0.55 0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 2dn6 h GLN 96 CO -0.66 -0.08 0.29 0.00 -0.95 0.00 0.00 178.83 177.43 2dn6 h ALA 97 N 1.02 0.76 0.39 3.87 0.00 0.23 -1.99 119.26 123.53 2dn6 h ALA 97 Ca 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2dn6 h ALA 97 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dn6 h ALA 97 CO -0.28 -0.06 -0.19 0.82 0.00 0.00 0.00 179.25 179.55 2dn6 h ILE 98 N 0.55 0.61 -0.41 0.00 2.04 0.08 -1.93 117.51 118.45 2dn6 h ILE 98 Ca 0.26 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2dn6 h ILE 98 Cb 0.19 0.75 -0.09 0.00 -0.74 0.00 0.00 36.82 36.94 2dn6 h ILE 98 CO -0.19 0.05 -0.51 -0.74 0.00 0.00 0.00 178.15 176.76 2dn6 h HIS 99 N -0.69 -1.55 -0.26 1.37 2.76 -0.44 -1.31 115.15 115.04 2dn6 h HIS 99 Ca -0.05 0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 2dn6 h HIS 99 Cb 0.49 0.73 -0.06 0.00 1.55 0.00 0.00 27.41 30.12 2dn6 h HIS 99 CO -0.01 -0.48 -0.16 1.03 -1.30 0.00 0.00 177.93 177.02 2dn6 h SER 100 N -0.37 -0.52 -1.01 3.26 0.87 -1.38 -0.40 113.55 114.00 2dn6 h SER 100 Ca 0.10 0.11 0.29 0.00 -1.23 0.00 0.00 61.79 61.06 2dn6 h SER 100 Cb 0.60 0.27 -0.14 0.00 -0.44 0.00 0.00 62.40 62.69 2dn6 h SER 100 CO -0.59 -0.19 0.59 0.74 -0.53 0.00 0.00 176.83 176.84 2dn6 h THR 101 N -0.13 0.40 -0.03 2.23 2.02 -0.44 0.93 112.91 117.88 2dn6 h THR 101 Ca 0.14 -0.15 -0.14 0.00 0.77 0.00 0.00 66.41 67.03 2dn6 h THR 101 Cb 0.35 -0.06 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 2dn6 h THR 101 CO -0.34 0.08 -0.54 0.40 0.37 0.00 0.00 175.52 175.48 2dn6 h ILE 102 N 0.43 1.41 -0.99 3.11 2.04 -0.27 -3.26 117.51 119.99 2dn6 h ILE 102 Ca 0.69 -1.98 0.21 0.00 1.00 0.00 0.00 64.86 64.79 2dn6 h ILE 102 Cb 1.50 2.47 -0.12 0.00 -0.74 0.00 0.00 36.82 39.93 2dn6 h ILE 102 CO -0.53 0.58 0.58 -0.74 0.00 0.00 0.00 178.15 178.04 2dn6 h HIS 103 N -0.06 1.01 -0.10 1.37 2.76 0.71 0.48 115.15 121.32 2dn6 h HIS 103 Ca -0.06 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 2dn6 h HIS 103 Cb 1.23 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.89 2dn6 h HIS 103 CO 0.14 0.14 0.07 -0.07 -1.30 0.00 0.00 177.93 176.91 2dn6 h LEU 104 N 0.66 0.04 0.00 0.26 3.38 -1.35 -0.40 115.31 117.89 2dn6 h LEU 104 Ca 0.60 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.52 2dn6 h LEU 104 Cb 1.04 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2dn6 h LEU 104 CO -0.43 0.03 -0.60 -0.07 0.09 0.00 0.00 178.44 177.45 2dn6 h LEU 105 N 0.04 0.00 -0.56 1.67 3.38 -0.17 -3.32 115.31 116.35 2dn6 h LEU 105 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2dn6 h LEU 105 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2dn6 h LEU 105 CO -0.00 0.21 -0.03 0.11 0.09 0.00 0.00 178.44 178.82 2dn6 h LYS 106 N 0.00 1.02 -0.96 1.13 1.57 -0.10 -3.02 116.57 116.22 2dn6 h LYS 106 Ca -0.03 -0.34 0.30 0.00 -1.87 0.00 0.00 60.65 58.72 2dn6 h LYS 106 Cb 1.18 -0.08 -0.16 0.00 0.08 0.00 0.00 32.23 33.25 2dn6 h LYS 106 CO 0.02 1.03 0.35 -0.07 -0.57 0.00 0.00 179.45 180.21 2dn6 h LEU 107 N 0.90 0.11 0.63 2.94 -0.00 -1.61 -0.99 115.31 117.30 2dn6 h LEU 107 Ca 0.16 0.22 -0.03 0.00 -0.00 0.00 0.00 57.88 58.23 2dn6 h LEU 107 Cb 0.59 0.28 0.01 0.00 -0.00 0.00 0.00 40.66 41.53 2dn6 h LEU 107 CO 0.04 -0.25 -0.30 1.23 -0.00 0.00 0.00 178.44 179.15 2dn6 h GLY 108 N 0.16 -0.89 -5.81 0.83 0.00 -1.74 -3.43 103.07 92.18 2dn6 h GLY 108 Ca 0.67 0.33 -0.68 0.00 0.00 0.00 0.00 47.33 47.65 2dn6 h GLY 108 CO -0.72 -0.32 0.77 -1.14 0.00 0.00 0.00 176.54 175.13 2dn6 n SER 109 N -5.37 2.38 -4.76 0.19 3.41 -0.38 -4.96 113.62 104.12 2dn6 n SER 109 Ca -0.12 1.07 -0.26 0.00 -0.26 0.00 0.00 58.87 59.31 2dn6 n SER 109 Cb 0.36 -1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 63.03 2dn6 n SER 109 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dn6 s SER 110 N 2.33 5.31 0.00 4.04 1.04 -1.26 -4.96 113.70 120.20 2dn6 s SER 110 Ca 0.91 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2dn6 s SER 110 Cb -0.93 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2dn6 s SER 110 CO 0.54 0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.43 2dn6 n GLY 111 N -0.42 1.15 0.00 7.32 0.00 -1.26 -4.93 105.19 107.05 2dn6 n GLY 111 Ca -0.08 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.86 2dn6 n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dn6 n PRO 112 N 0.00 0.09 -0.98 1.61 -0.04 -1.26 -4.88 135.00 129.54 2dn6 n PRO 112 Ca 0.00 0.21 -0.32 0.00 -0.04 0.00 0.00 63.50 63.35 2dn6 n PRO 112 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2dn6 n PRO 112 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dn6 n SER 113 N -1.41 -1.69 -4.03 3.54 3.41 -1.26 -4.58 113.62 107.60 2dn6 n SER 113 Ca 0.05 0.68 -0.52 0.00 -0.26 0.00 0.00 58.87 58.81 2dn6 n SER 113 Cb 0.15 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.36 2dn6 n SER 113 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dn6 n SER 114 N 1.63 -0.10 -0.20 4.04 7.64 -1.26 -5.20 113.62 120.17 2dn6 n SER 114 Ca 0.10 1.04 0.02 0.00 1.01 0.00 0.00 58.87 61.04 2dn6 n SER 114 Cb 0.25 -0.83 0.02 0.00 -1.01 0.00 0.00 64.21 62.65 2dn6 n SER 114 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64