#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dn6 n SER 2 N 0.00 -0.86 -0.13 1.61 7.64 -1.26 -4.97 113.62 115.65 2dn6 n SER 2 Ca 0.00 0.51 -0.24 0.00 1.01 0.00 0.00 58.87 60.15 2dn6 n SER 2 Cb 0.00 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 61.81 2dn6 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dn6 n SER 3 N -1.38 1.92 0.00 6.43 7.64 -1.26 -5.13 113.62 121.84 2dn6 n SER 3 Ca 0.10 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2dn6 n SER 3 Cb 0.51 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2dn6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn6 n GLY 4 N 1.69 -0.40 3.49 0.23 0.00 -1.26 -5.02 105.19 103.91 2dn6 n GLY 4 Ca -0.48 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 2dn6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dn6 n SER 5 N 0.00 5.01 -4.66 1.61 2.88 -1.26 -4.96 113.62 112.24 2dn6 n SER 5 Ca 0.00 -2.94 -0.30 0.00 -1.33 0.00 0.00 58.87 54.29 2dn6 n SER 5 Cb 0.00 -1.68 -0.09 0.00 -0.75 0.00 0.00 64.21 61.70 2dn6 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dn6 s SER 6 N 3.60 4.86 0.00 -3.46 0.01 -1.26 -5.10 113.70 112.36 2dn6 s SER 6 Ca 0.49 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2dn6 s SER 6 Cb 0.02 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2dn6 s SER 6 CO 0.04 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2dn6 n GLY 7 N 0.71 1.12 3.20 3.44 0.00 -1.26 -4.81 105.19 107.58 2dn6 n GLY 7 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.00 -0.05 1.61 0.31 -1.26 -3.97 118.33 114.97 2dn6 n VAL 8 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2dn6 n VAL 8 Cb 0.00 -0.47 -0.08 0.00 -0.91 0.00 0.00 33.84 32.39 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 10.46 -0.02 -8.70 7.52 3.38 -1.39 -3.48 115.31 123.08 2dn6 h LEU 9 Ca -0.06 -0.57 -0.40 0.00 0.09 0.00 0.00 57.88 56.95 2dn6 h LEU 9 Cb 1.24 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 2dn6 h LEU 9 CO 1.22 0.75 -0.74 -0.75 0.09 0.00 0.00 178.44 179.01 2dn6 s LYS 10 N -2.12 1.12 -0.27 1.13 2.20 -1.19 -5.00 119.74 115.62 2dn6 s LYS 10 Ca -0.11 -1.41 -0.12 0.00 -0.36 0.00 0.00 55.97 53.97 2dn6 s LYS 10 Cb -0.02 -0.88 0.10 0.00 -1.51 0.00 0.00 37.83 35.52 2dn6 s LYS 10 CO 0.42 0.15 0.62 1.14 -0.36 0.00 0.00 175.35 177.31 2dn6 s GLN 11 N -3.29 0.58 -0.01 4.03 -2.07 -1.26 -1.89 119.66 115.75 2dn6 s GLN 11 Ca 0.15 1.26 -0.29 0.00 -1.82 0.00 0.00 55.36 54.66 2dn6 s GLN 11 Cb -0.01 0.44 0.10 0.00 -1.09 0.00 0.00 33.01 32.45 2dn6 s GLN 11 CO 0.03 -0.18 0.88 0.20 -1.32 0.00 0.00 175.29 174.90 2dn6 s GLY 12 N 2.23 -0.46 -0.52 2.60 0.00 -1.20 -5.01 107.32 104.96 2dn6 s GLY 12 Ca -0.07 1.06 -0.27 0.00 0.00 0.00 0.00 44.72 45.43 2dn6 s GLY 12 CO -0.18 0.38 1.09 -0.19 0.00 0.00 0.00 173.10 174.20 2dn6 s TYR 13 N -3.00 2.76 0.24 1.90 2.02 -1.26 -2.38 117.35 117.63 2dn6 s TYR 13 Ca 0.04 0.46 0.11 0.00 -0.37 0.00 0.00 57.07 57.31 2dn6 s TYR 13 Cb -0.01 -4.33 -0.05 0.00 -0.40 0.00 0.00 41.96 37.18 2dn6 s TYR 13 CO -0.08 -1.35 -0.18 -1.64 -1.57 0.00 0.00 175.55 170.73 2dn6 s MET 14 N 4.42 1.74 -0.35 -0.62 -1.94 -1.14 -4.85 119.30 116.55 2dn6 s MET 14 Ca 0.42 -1.61 -0.11 0.00 -1.71 0.00 0.00 55.69 52.67 2dn6 s MET 14 Cb -0.08 -1.87 0.01 0.00 2.01 0.00 0.00 34.83 34.89 2dn6 s MET 14 CO 0.27 0.36 0.20 -1.64 -0.01 0.00 0.00 175.02 174.20 2dn6 s MET 15 N -3.23 3.12 0.09 2.03 -1.94 -0.89 -0.66 119.30 117.82 2dn6 s MET 15 Ca 0.27 -0.88 -0.08 0.00 -1.71 0.00 0.00 55.69 53.29 2dn6 s MET 15 Cb -0.06 -3.70 -0.06 0.00 2.01 0.00 0.00 34.83 33.02 2dn6 s MET 15 CO 0.14 -0.56 0.38 0.21 -0.01 0.00 0.00 175.02 175.17 2dn6 s LYS 16 N 1.61 3.69 -0.37 2.03 2.20 -1.05 0.82 119.74 128.68 2dn6 s LYS 16 Ca 0.04 0.06 -0.21 0.00 -0.36 0.00 0.00 55.97 55.51 2dn6 s LYS 16 Cb -0.18 -2.96 0.01 0.00 -1.51 0.00 0.00 37.83 33.18 2dn6 s LYS 16 CO 0.07 0.54 0.65 0.21 -0.36 0.00 0.00 175.35 176.47 2dn6 s LYS 17 N -2.11 3.63 0.18 4.03 2.20 -0.30 -2.89 119.74 124.49 2dn6 s LYS 17 Ca 0.35 0.02 -0.19 0.00 -0.36 0.00 0.00 55.97 55.78 2dn6 s LYS 17 Cb -0.13 -3.83 -0.12 0.00 -1.51 0.00 0.00 37.83 32.24 2dn6 s LYS 17 CO 0.20 -0.79 0.30 0.41 -0.36 0.00 0.00 175.35 175.10 2dn6 n GLY 18 N 4.71 -1.46 0.13 5.54 0.00 -0.00 -4.67 105.19 109.43 2dn6 n GLY 18 Ca -0.01 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2dn6 n GLY 18 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2dn6 h HIS 19 N 0.60 0.37 0.06 1.61 2.76 -1.95 -3.35 115.15 115.25 2dn6 h HIS 19 Ca -0.22 -0.10 -0.19 0.00 -2.20 0.00 0.00 60.37 57.66 2dn6 h HIS 19 Cb 1.05 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 2dn6 h HIS 19 CO 0.28 0.67 -0.99 0.00 -1.30 0.00 0.00 177.93 176.59 2dn6 h ARG 20 N -0.04 0.13 -6.20 5.26 -0.00 -2.00 -3.47 114.38 108.06 2dn6 h ARG 20 Ca 0.03 -0.22 -0.52 0.00 -0.50 0.00 0.00 59.98 58.77 2dn6 h ARG 20 Cb 0.58 0.08 -0.05 0.00 0.00 0.00 0.00 29.97 30.58 2dn6 h ARG 20 CO 0.03 1.11 -0.54 1.03 0.00 0.00 0.00 179.97 181.60 2dn6 s ARG 21 N -2.38 2.92 -0.49 0.04 1.81 -1.26 -5.02 118.95 114.58 2dn6 s ARG 21 Ca -0.21 -1.00 -0.03 0.00 -1.72 0.00 0.00 55.73 52.76 2dn6 s ARG 21 Cb 0.03 -2.59 0.16 0.00 -0.45 0.00 0.00 34.95 32.10 2dn6 s ARG 21 CO 0.71 0.42 2.45 1.63 -0.68 0.00 0.00 175.30 179.83 2dn6 n LYS 22 N -0.97 2.33 -4.03 3.54 5.02 -1.26 -2.89 118.16 119.90 2dn6 n LYS 22 Ca -0.08 -2.40 -0.36 0.00 -2.02 0.00 0.00 58.31 53.45 2dn6 n LYS 22 Cb 0.57 -2.05 -0.07 0.00 -0.02 0.00 0.00 35.03 33.45 2dn6 n LYS 22 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2dn6 s ASN 23 N -0.05 5.98 -0.07 4.39 0.01 -1.26 -4.85 114.94 119.09 2dn6 s ASN 23 Ca 0.52 0.33 -0.08 0.00 -0.71 0.00 0.00 52.86 52.93 2dn6 s ASN 23 Cb 0.37 -1.89 -0.04 0.00 0.41 0.00 0.00 41.25 40.10 2dn6 s ASN 23 CO -0.18 0.37 0.21 0.26 -1.51 0.00 0.00 177.10 176.24 2dn6 s TRP 24 N -0.80 3.61 -0.15 2.20 0.52 -1.26 -0.82 118.94 122.24 2dn6 s TRP 24 Ca 0.13 0.60 -0.11 0.00 0.02 0.00 0.00 56.10 56.74 2dn6 s TRP 24 Cb -0.12 -2.00 0.05 0.00 -1.15 0.00 0.00 33.47 30.25 2dn6 s TRP 24 CO 0.03 0.70 0.38 0.95 0.02 0.00 0.00 176.95 179.03 2dn6 s THR 25 N -1.10 -0.01 0.08 2.01 -4.23 -1.14 -4.97 115.64 106.28 2dn6 s THR 25 Ca 0.19 0.04 -0.31 0.00 -1.18 0.00 0.00 61.69 60.44 2dn6 s THR 25 Cb -0.13 -0.55 -0.07 0.00 1.34 0.00 0.00 72.50 73.08 2dn6 s THR 25 CO 0.08 0.02 1.41 -0.70 -0.54 0.00 0.00 174.62 174.89 2dn6 s GLU 26 N 0.70 4.30 -0.10 3.99 2.12 -1.26 -2.52 118.70 125.93 2dn6 s GLU 26 Ca -0.04 2.07 -0.05 0.00 0.36 0.00 0.00 54.97 57.31 2dn6 s GLU 26 Cb -0.05 -3.35 0.05 0.00 0.26 0.00 0.00 34.13 31.03 2dn6 s GLU 26 CO -0.05 -0.49 0.24 1.03 -0.54 0.00 0.00 175.26 175.45 2dn6 s ARG 27 N 1.52 0.19 -0.15 4.30 1.81 0.16 -4.97 118.95 121.82 2dn6 s ARG 27 Ca 0.65 0.53 -0.29 0.00 -1.72 0.00 0.00 55.73 54.90 2dn6 s ARG 27 Cb -0.36 -0.13 -0.05 0.00 -0.45 0.00 0.00 34.95 33.97 2dn6 s ARG 27 CO 0.29 -0.17 1.86 -0.46 -0.68 0.00 0.00 175.30 176.14 2dn6 s TRP 28 N 1.31 1.65 -0.11 -0.53 -0.11 -0.28 -2.91 118.94 117.97 2dn6 s TRP 28 Ca -0.09 0.27 -0.10 0.00 1.22 0.00 0.00 56.10 57.41 2dn6 s TRP 28 Cb -0.11 -4.03 -0.05 0.00 -1.50 0.00 0.00 33.47 27.78 2dn6 s TRP 28 CO -0.08 -3.94 0.21 -0.06 -4.62 0.00 0.00 176.95 168.46 2dn6 s PHE 29 N 5.76 3.59 -0.33 5.86 0.40 -1.00 0.14 117.98 132.39 2dn6 s PHE 29 Ca 0.83 0.60 0.04 0.00 -0.60 0.00 0.00 56.93 57.80 2dn6 s PHE 29 Cb -0.32 -2.08 0.10 0.00 0.51 0.00 0.00 43.02 41.23 2dn6 s PHE 29 CO 0.34 0.61 0.04 0.08 0.70 0.00 0.00 175.22 176.99 2dn6 s VAL 30 N -0.70 2.23 -0.84 -0.44 1.01 0.27 -3.23 120.40 118.70 2dn6 s VAL 30 Ca 0.16 -2.28 -0.25 0.00 0.00 0.00 0.00 61.98 59.61 2dn6 s VAL 30 Cb -0.13 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.63 2dn6 s VAL 30 CO 0.05 -0.57 1.55 -0.22 0.00 0.00 0.00 175.10 175.91 2dn6 s LEU 31 N 0.93 3.30 0.72 3.92 2.96 -0.79 -1.94 118.68 127.78 2dn6 s LEU 31 Ca 0.10 -0.70 -0.11 0.00 -0.22 0.00 0.00 54.13 53.20 2dn6 s LEU 31 Cb -0.19 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 43.97 2dn6 s LEU 31 CO -0.08 -1.97 1.08 -0.54 -1.32 0.00 0.00 176.35 173.52 2dn6 s LYS 32 N 5.91 2.70 0.42 1.98 -0.14 0.76 -1.01 119.74 130.35 2dn6 s LYS 32 Ca 0.50 0.67 0.21 0.00 -1.36 0.00 0.00 55.97 55.99 2dn6 s LYS 32 Cb -0.06 -1.99 0.90 0.00 -1.68 0.00 0.00 37.83 35.00 2dn6 s LYS 32 CO 0.05 -1.20 1.84 -1.00 -0.76 0.00 0.00 175.35 174.28 2dn6 h PRO 33 N -0.78 0.00 0.00 -1.68 0.13 -1.89 -3.25 132.00 124.53 2dn6 h PRO 33 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 2dn6 h PRO 33 Cb 1.24 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 2dn6 h PRO 33 CO 0.60 0.29 -0.74 0.09 -0.23 0.00 0.00 178.00 178.02 2dn6 n ASN 34 N -3.61 1.00 0.00 1.44 4.13 -1.26 -4.92 115.26 112.03 2dn6 n ASN 34 Ca -0.01 -2.42 0.00 0.00 1.68 0.00 0.00 54.58 53.83 2dn6 n ASN 34 Cb 0.42 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 2dn6 n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2dn6 n ILE 35 N -0.05 0.00 -3.39 2.41 3.06 -1.23 -4.24 119.36 115.93 2dn6 n ILE 35 Ca 0.08 0.00 -0.14 0.00 -2.50 0.00 0.00 62.75 60.19 2dn6 n ILE 35 Cb 0.93 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 41.01 2dn6 n ILE 35 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 2dn6 s ILE 36 N -2.00 -0.49 0.07 9.51 1.01 -1.10 -0.17 121.20 128.03 2dn6 s ILE 36 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2dn6 s ILE 36 Cb 0.00 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 2dn6 s ILE 36 CO 0.00 -0.28 -0.23 -0.44 0.00 0.00 0.00 174.94 173.99 2dn6 s SER 37 N 2.44 3.51 -0.11 3.58 0.01 -0.82 -0.64 113.70 121.67 2dn6 s SER 37 Ca 0.10 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2dn6 s SER 37 Cb -0.14 -0.41 -0.00 0.00 0.21 0.00 0.00 66.02 65.67 2dn6 s SER 37 CO -0.23 0.23 -0.21 -0.72 0.41 0.00 0.00 173.24 172.71 2dn6 s TYR 38 N -0.95 2.63 0.13 2.43 1.13 -1.25 0.95 117.35 122.42 2dn6 s TYR 38 Ca 0.14 -0.98 0.04 0.00 -1.41 0.00 0.00 57.07 54.87 2dn6 s TYR 38 Cb -0.10 -1.75 -0.04 0.00 -1.10 0.00 0.00 41.96 38.97 2dn6 s TYR 38 CO 0.05 -0.39 0.10 0.71 -2.51 0.00 0.00 175.55 173.52 2dn6 s TYR 39 N 0.38 3.14 0.18 -3.49 1.51 0.38 -2.08 117.35 117.37 2dn6 s TYR 39 Ca -0.16 0.01 -0.25 0.00 -1.01 0.00 0.00 57.07 55.65 2dn6 s TYR 39 Cb -0.17 -1.54 0.05 0.00 -0.11 0.00 0.00 41.96 40.19 2dn6 s TYR 39 CO 0.07 0.52 1.56 0.28 -1.11 0.00 0.00 175.55 176.87 2dn6 h VAL 40 N 2.27 0.04 -4.18 0.71 2.07 -1.75 -0.71 116.25 114.69 2dn6 h VAL 40 Ca -0.47 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 66.75 2dn6 h VAL 40 Cb 1.19 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 2dn6 h VAL 40 CO 0.64 0.00 -0.23 -1.20 0.02 0.00 0.00 177.57 176.79 2dn6 n SER 41 N -5.38 1.75 -1.45 0.57 7.64 -1.26 -3.43 113.62 112.05 2dn6 n SER 41 Ca 0.04 -2.09 -0.05 0.00 1.01 0.00 0.00 58.87 57.77 2dn6 n SER 41 Cb 0.34 0.38 0.02 0.00 -1.01 0.00 0.00 64.21 63.94 2dn6 n SER 41 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2dn6 n GLU 42 N -0.53 1.26 -0.08 1.43 0.28 -1.26 -3.66 120.64 118.08 2dn6 n GLU 42 Ca -0.06 -0.55 -0.08 0.00 -0.16 0.00 0.00 57.16 56.30 2dn6 n GLU 42 Cb 0.31 -1.22 -0.12 0.00 1.43 0.00 0.00 31.44 31.85 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 0.70 1.43 -2.07 -1.84 2.03 -1.26 -5.02 116.55 110.52 2dn6 n ASP 43 Ca 0.11 -0.02 -0.13 0.00 0.52 0.00 0.00 54.79 55.27 2dn6 n ASP 43 Cb 0.61 0.69 0.04 0.00 -0.72 0.00 0.00 41.12 41.73 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 -2.65 -2.64 -0.09 -2.67 4.77 -1.24 -4.95 117.00 107.54 2dn6 n LEU 44 Ca -0.26 -0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 55.32 2dn6 n LEU 44 Cb 0.98 -1.84 -0.08 0.00 -2.33 0.00 0.00 43.42 40.14 2dn6 n LEU 44 CO 0.30 0.31 -1.08 0.29 -1.33 0.00 0.00 177.39 175.88 2dn6 n LYS 45 N -2.83 0.43 -3.98 3.23 4.76 -1.26 -4.93 118.16 113.59 2dn6 n LYS 45 Ca -0.01 0.11 -0.34 0.00 -2.87 0.00 0.00 58.31 55.21 2dn6 n LYS 45 Cb 0.54 -1.32 -0.14 0.00 -1.84 0.00 0.00 35.03 32.26 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 -5.84 4.47 0.48 4.39 1.01 -1.26 -5.11 116.67 114.81 2dn6 s ASP 46 Ca -0.24 -1.12 -0.14 0.00 0.71 0.00 0.00 52.55 51.76 2dn6 s ASP 46 Cb 0.07 -1.64 -0.07 0.00 1.01 0.00 0.00 42.92 42.28 2dn6 s ASP 46 CO 0.39 -0.18 0.90 -0.75 0.21 0.00 0.00 175.17 175.75 2dn6 s LYS 47 N 1.25 3.86 -0.09 8.23 2.20 -1.26 -2.55 119.74 131.38 2dn6 s LYS 47 Ca -0.04 0.75 -0.00 0.00 -0.36 0.00 0.00 55.97 56.32 2dn6 s LYS 47 Cb -0.18 -2.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.85 2dn6 s LYS 47 CO -0.04 -0.19 -0.09 1.63 -0.36 0.00 0.00 175.35 176.30 2dn6 n LYS 48 N -1.53 0.23 -0.90 4.03 4.76 -0.88 -4.87 118.16 118.99 2dn6 n LYS 48 Ca 0.05 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2dn6 n LYS 48 Cb 0.54 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 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 2.95 1.77 3.45 0.72 0.00 -1.25 -5.04 105.19 107.79 2dn6 n GLY 49 Ca -0.17 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2dn6 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dn6 s ASP 50 N -0.08 -0.59 -0.43 1.61 1.01 -1.26 -3.96 116.67 112.97 2dn6 s ASP 50 Ca 0.00 1.12 0.01 0.00 0.71 0.00 0.00 52.55 54.39 2dn6 s ASP 50 Cb 0.00 1.12 0.12 0.00 1.01 0.00 0.00 42.92 45.17 2dn6 s ASP 50 CO 0.00 -0.19 0.19 -0.63 0.21 0.00 0.00 175.17 174.74 2dn6 s ILE 51 N 0.39 2.83 -0.23 0.77 1.01 0.19 -4.98 121.20 121.18 2dn6 s ILE 51 Ca -0.01 -2.53 -0.33 0.00 0.00 0.00 0.00 60.65 57.78 2dn6 s ILE 51 Cb -0.04 -2.98 -0.10 0.00 0.01 0.00 0.00 42.46 39.36 2dn6 s ILE 51 CO -0.01 -0.70 2.09 0.18 0.00 0.00 0.00 174.94 176.50 2dn6 n LEU 52 N 4.03 2.88 -4.76 2.97 4.77 -1.26 -2.71 117.00 122.92 2dn6 n LEU 52 Ca 0.03 0.55 -0.40 0.00 -0.03 0.00 0.00 56.01 56.16 2dn6 n LEU 52 Cb 0.39 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 2dn6 n LEU 52 CO 0.29 -0.49 0.69 -0.76 -1.33 0.00 0.00 177.39 175.79 2dn6 s LEU 53 N 6.48 4.57 -0.10 2.23 1.43 -1.26 -4.93 118.68 127.11 2dn6 s LEU 53 Ca 1.02 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 55.83 2dn6 s LEU 53 Cb -0.66 -3.68 0.08 0.00 0.03 0.00 0.00 46.19 41.95 2dn6 s LEU 53 CO 0.46 0.03 0.73 -1.81 0.23 0.00 0.00 176.35 176.00 2dn6 s ASP 54 N -1.17 -0.63 0.42 2.29 1.01 -1.26 -4.90 116.67 112.42 2dn6 s ASP 54 Ca 0.44 0.78 0.34 0.00 0.71 0.00 0.00 52.55 54.82 2dn6 s ASP 54 Cb -0.26 0.64 1.38 0.00 1.01 0.00 0.00 42.92 45.69 2dn6 s ASP 54 CO 0.33 -0.52 1.37 -1.84 0.21 0.00 0.00 175.17 174.72 2dn6 n GLU 55 N 1.15 -0.02 0.34 8.23 0.28 -1.26 0.56 120.64 129.92 2dn6 n GLU 55 Ca -0.17 1.05 -0.16 0.00 -0.16 0.00 0.00 57.16 57.72 2dn6 n GLU 55 Cb 0.57 -2.18 -0.08 0.00 1.43 0.00 0.00 31.44 31.18 2dn6 n GLU 55 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2dn6 h ASN 56 N 0.00 -0.72 -2.66 -1.84 2.35 -1.95 -3.44 115.58 107.32 2dn6 h ASN 56 Ca 0.79 -0.02 -0.60 0.00 -0.55 0.00 0.00 56.30 55.93 2dn6 h ASN 56 Cb 2.78 0.19 0.13 0.00 0.05 0.00 0.00 38.32 41.47 2dn6 h ASN 56 CO -0.27 -0.41 -0.00 0.00 -1.65 0.00 0.00 177.43 175.10 2dn6 s VAL 59 N -3.44 2.11 -0.02 0.00 0.11 -1.26 -0.90 120.40 116.99 2dn6 s VAL 59 Ca 0.19 -1.74 -0.02 0.00 -2.93 0.00 0.00 61.98 57.47 2dn6 s VAL 59 Cb -0.03 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.93 2dn6 s VAL 59 CO 0.11 0.01 0.06 -1.83 -3.33 0.00 0.00 175.10 170.11 2dn6 s GLU 60 N -2.13 0.16 -0.22 1.54 -1.05 -0.37 -4.95 118.70 111.67 2dn6 s GLU 60 Ca 0.13 -0.07 -0.28 0.00 -0.15 0.00 0.00 54.97 54.60 2dn6 s GLU 60 Cb -0.10 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.66 2dn6 s GLU 60 CO 0.06 -0.03 0.98 -1.54 0.95 0.00 0.00 175.26 175.68 2dn6 s SER 61 N -0.35 7.04 0.08 0.83 1.04 -1.26 -1.86 113.70 119.22 2dn6 s SER 61 Ca -0.04 1.30 -0.02 0.00 0.48 0.00 0.00 55.95 57.67 2dn6 s SER 61 Cb -0.03 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2dn6 s SER 61 CO 0.00 -0.60 0.26 -0.76 0.98 0.00 0.00 173.24 173.12 2dn6 s LEU 62 N 2.97 4.33 1.25 2.42 1.43 -1.00 -4.94 118.68 125.14 2dn6 s LEU 62 Ca 0.42 0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 53.70 2dn6 s LEU 62 Cb -0.15 -3.02 0.31 0.00 0.03 0.00 0.00 46.19 43.36 2dn6 s LEU 62 CO 0.08 0.15 1.11 -2.16 0.23 0.00 0.00 176.35 175.76 2dn6 s PRO 63 N -2.46 -1.64 -0.20 1.29 0.04 -1.26 -3.94 135.00 126.82 2dn6 s PRO 63 Ca 0.36 -0.22 -0.19 0.00 0.04 0.00 0.00 61.00 60.99 2dn6 s PRO 63 Cb -0.13 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 2dn6 s PRO 63 CO 0.26 -3.96 0.56 -0.51 0.04 0.00 0.00 177.00 173.39 2dn6 s ASP 64 N -4.01 6.61 0.02 6.66 1.11 -1.26 -4.57 116.67 121.23 2dn6 s ASP 64 Ca 0.72 0.74 -0.03 0.00 0.18 0.00 0.00 52.55 54.16 2dn6 s ASP 64 Cb -0.07 -2.31 -0.01 0.00 1.07 0.00 0.00 42.92 41.59 2dn6 s ASP 64 CO 0.56 -0.22 0.05 -1.59 1.18 0.00 0.00 175.17 175.15 2dn6 s LYS 65 N 1.74 0.45 -1.33 8.23 0.00 -1.26 -4.86 119.74 122.71 2dn6 s LYS 65 Ca 0.26 -0.63 -0.05 0.00 0.00 0.00 0.00 55.97 55.55 2dn6 s LYS 65 Cb -0.16 0.17 0.02 0.00 0.00 0.00 0.00 37.83 37.87 2dn6 s LYS 65 CO 0.10 -0.10 0.97 -3.47 0.00 0.00 0.00 175.35 172.85 2dn6 n ASP 66 N 1.25 -3.49 -3.62 0.03 2.03 -1.26 -2.49 116.55 108.99 2dn6 n ASP 66 Ca -0.22 -0.68 -0.21 0.00 0.52 0.00 0.00 54.79 54.21 2dn6 n ASP 66 Cb 0.56 -4.60 0.05 0.00 -0.72 0.00 0.00 41.12 36.41 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 -1.58 -0.38 2.70 0.27 0.00 -1.26 -5.00 105.19 99.93 2dn6 n GLY 67 Ca -0.15 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2dn6 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dn6 n LYS 68 N -4.18 1.03 -3.55 1.61 4.76 -1.04 -5.17 118.16 111.62 2dn6 n LYS 68 Ca -0.28 -2.76 -0.14 0.00 -2.87 0.00 0.00 58.31 52.26 2dn6 n LYS 68 Cb 0.67 0.82 -0.06 0.00 -1.84 0.00 0.00 35.03 34.62 2dn6 n LYS 68 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2dn6 s LYS 69 N -3.35 0.83 -1.25 1.97 0.00 -1.26 -4.49 119.74 112.19 2dn6 s LYS 69 Ca 0.02 0.25 -0.02 0.00 0.00 0.00 0.00 55.97 56.22 2dn6 s LYS 69 Cb 0.00 0.39 -0.01 0.00 0.00 0.00 0.00 37.83 38.22 2dn6 s LYS 69 CO 0.01 -0.25 0.79 0.00 0.00 0.00 0.00 175.35 175.90 2dn6 s LEU 71 N -6.48 3.83 -0.28 0.00 1.43 -1.25 -2.90 118.68 113.02 2dn6 s LEU 71 Ca 0.08 0.93 -0.22 0.00 -1.03 0.00 0.00 54.13 53.89 2dn6 s LEU 71 Cb -0.02 -3.82 0.10 0.00 0.03 0.00 0.00 46.19 42.48 2dn6 s LEU 71 CO 0.79 -0.40 0.87 0.72 0.23 0.00 0.00 176.35 178.55 2dn6 s PHE 72 N -2.42 -0.69 0.13 0.29 -0.71 -1.00 -2.39 117.98 111.19 2dn6 s PHE 72 Ca 0.48 1.57 0.09 0.00 -1.04 0.00 0.00 56.93 58.03 2dn6 s PHE 72 Cb -0.10 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.05 2dn6 s PHE 72 CO 0.36 -0.34 -0.22 -1.17 -1.34 0.00 0.00 175.22 172.51 2dn6 s LEU 73 N 0.71 2.35 -0.15 -1.99 0.20 -0.78 -1.52 118.68 117.50 2dn6 s LEU 73 Ca -0.02 -0.76 -0.02 0.00 0.69 0.00 0.00 54.13 54.03 2dn6 s LEU 73 Cb -0.05 -0.98 -0.02 0.00 -0.43 0.00 0.00 46.19 44.72 2dn6 s LEU 73 CO -0.08 0.07 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.28 2dn6 s VAL 74 N -1.37 3.36 -0.22 1.68 1.01 0.58 -1.24 120.40 124.19 2dn6 s VAL 74 Ca 0.12 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.48 2dn6 s VAL 74 Cb -0.09 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2dn6 s VAL 74 CO 0.06 0.50 0.06 -0.75 0.00 0.00 0.00 175.10 174.97 2dn6 s LYS 75 N 0.50 3.76 0.50 2.72 2.47 -0.08 -1.80 119.74 127.82 2dn6 s LYS 75 Ca -0.07 -0.43 0.03 0.00 -1.56 0.00 0.00 55.97 53.94 2dn6 s LYS 75 Cb -0.15 -3.27 -0.01 0.00 -1.46 0.00 0.00 37.83 32.94 2dn6 s LYS 75 CO 0.04 -0.01 0.10 0.00 0.16 0.00 0.00 175.35 175.64 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 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 2dn6 n PHE 77 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2dn6 n ASP 78 N -2.20 3.66 -4.89 4.37 5.68 -1.26 -5.07 116.55 116.84 2dn6 n ASP 78 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.00 2dn6 n ASP 78 Cb 0.00 0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 40.44 2dn6 n ASP 78 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2dn6 s LYS 79 N -1.66 3.67 0.08 0.11 1.02 -1.26 -5.10 119.74 116.61 2dn6 s LYS 79 Ca 0.00 0.41 0.02 0.00 0.02 0.00 0.00 55.97 56.43 2dn6 s LYS 79 Cb 0.00 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2dn6 s LYS 79 CO 0.00 -0.18 -0.08 0.95 -0.92 0.00 0.00 175.35 175.12 2dn6 s THR 80 N -2.63 0.72 -0.23 2.17 -4.23 -1.26 -1.73 115.64 108.46 2dn6 s THR 80 Ca 0.50 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.38 2dn6 s THR 80 Cb -0.10 -1.27 0.11 0.00 1.34 0.00 0.00 72.50 72.57 2dn6 s THR 80 CO 0.39 -0.64 0.27 -0.36 -0.54 0.00 0.00 174.62 173.75 2dn6 s PHE 81 N -2.61 -0.44 -0.20 3.99 0.40 -0.74 -5.01 117.98 113.36 2dn6 s PHE 81 Ca 0.04 0.31 -0.10 0.00 -0.60 0.00 0.00 56.93 56.58 2dn6 s PHE 81 Cb -0.02 -0.28 -0.05 0.00 0.51 0.00 0.00 43.02 43.18 2dn6 s PHE 81 CO -0.02 -0.68 0.14 -2.00 0.70 0.00 0.00 175.22 173.36 2dn6 s GLU 82 N 2.38 4.19 0.13 0.44 2.12 -1.26 -0.31 118.70 126.39 2dn6 s GLU 82 Ca 0.09 -0.21 0.05 0.00 0.36 0.00 0.00 54.97 55.26 2dn6 s GLU 82 Cb -0.15 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2dn6 s GLU 82 CO -0.16 0.28 -0.11 0.42 -0.54 0.00 0.00 175.26 175.15 2dn6 s ILE 83 N 0.41 1.18 -0.11 -3.70 1.01 -0.57 -1.15 121.20 118.26 2dn6 s ILE 83 Ca 0.08 -1.89 -0.01 0.00 0.00 0.00 0.00 60.65 58.84 2dn6 s ILE 83 Cb -0.11 -1.67 0.03 0.00 0.01 0.00 0.00 42.46 40.72 2dn6 s ILE 83 CO -0.01 -0.62 -0.07 -0.94 0.00 0.00 0.00 174.94 173.30 2dn6 s SER 84 N -2.84 2.12 1.04 3.58 1.04 0.24 -2.38 113.70 116.50 2dn6 s SER 84 Ca 0.12 -0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.12 2dn6 s SER 84 Cb -0.01 -0.80 0.22 0.00 0.10 0.00 0.00 66.02 65.54 2dn6 s SER 84 CO 0.01 -0.13 1.19 0.00 0.98 0.00 0.00 173.24 175.30 2dn6 n ALA 85 N 4.97 -1.68 -0.05 5.32 0.00 -1.14 -2.09 120.51 125.84 2dn6 n ALA 85 Ca -0.12 -1.58 -0.10 0.00 0.00 0.00 0.00 53.44 51.65 2dn6 n ALA 85 Cb 0.50 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 2dn6 n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dn6 n SER 86 N -3.93 1.46 -4.32 0.00 2.88 -1.26 -4.86 113.62 103.58 2dn6 n SER 86 Ca 0.15 0.07 -0.27 0.00 -1.33 0.00 0.00 58.87 57.49 2dn6 n SER 86 Cb 0.53 -0.25 -0.13 0.00 -0.75 0.00 0.00 64.21 63.60 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 -5.62 2.89 0.34 -3.46 1.47 -1.26 -4.97 116.67 106.06 2dn6 s ASP 87 Ca -0.14 -0.65 0.14 0.00 1.18 0.00 0.00 52.55 53.08 2dn6 s ASP 87 Cb 0.05 -0.21 1.08 0.00 -0.34 0.00 0.00 42.92 43.50 2dn6 s ASP 87 CO 0.19 0.16 1.64 0.11 0.68 0.00 0.00 175.17 177.96 2dn6 h LYS 88 N 4.35 0.24 0.37 2.11 1.57 -1.96 -0.02 116.57 123.23 2dn6 h LYS 88 Ca -0.47 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2dn6 h LYS 88 Cb 1.16 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 2dn6 h LYS 88 CO 0.41 0.16 -0.51 -0.22 -0.57 0.00 0.00 179.45 178.72 2dn6 h LYS 89 N 0.25 -0.88 0.54 3.15 1.63 -1.99 -1.33 116.57 117.94 2dn6 h LYS 89 Ca 0.73 0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.57 2dn6 h LYS 89 Cb 1.69 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 33.51 2dn6 h LYS 89 CO -0.65 -0.59 -0.42 0.87 -3.45 0.00 0.00 179.45 175.21 2dn6 h LYS 90 N -0.92 -0.90 -0.69 1.90 1.57 -1.45 0.39 116.57 116.47 2dn6 h LYS 90 Ca -0.04 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2dn6 h LYS 90 Cb 0.83 0.20 -0.08 0.00 0.08 0.00 0.00 32.23 33.26 2dn6 h LYS 90 CO -0.14 -0.60 -0.41 1.17 -0.57 0.00 0.00 179.45 178.90 2dn6 n LYS 91 N -5.03 -0.31 0.22 3.15 0.00 -0.66 0.38 118.16 115.92 2dn6 n LYS 91 Ca -0.11 1.25 -0.09 0.00 0.00 0.00 0.00 58.31 59.36 2dn6 n LYS 91 Cb 0.41 -1.84 -0.04 0.00 0.00 0.00 0.00 35.03 33.55 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 -0.55 -1.45 1.64 4.15 -1.17 -0.78 115.11 116.94 2dn6 h GLN 92 Ca 0.11 0.04 0.46 0.00 0.77 0.00 0.00 58.65 60.03 2dn6 h GLN 92 Cb 0.28 0.13 -0.10 0.00 0.21 0.00 0.00 27.48 28.00 2dn6 h GLN 92 CO -0.65 -0.37 0.99 0.39 -1.93 0.00 0.00 178.83 177.25 2dn6 n GLU 93 N -3.70 -0.02 0.01 1.69 -0.58 0.14 -0.03 120.64 118.14 2dn6 n GLU 93 Ca -0.07 1.07 -0.04 0.00 -0.42 0.00 0.00 57.16 57.69 2dn6 n GLU 93 Cb 0.23 -2.23 -0.03 0.00 -0.57 0.00 0.00 31.44 28.84 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 -0.12 -0.55 -0.32 4.06 0.17 -2.81 115.95 116.38 2dn6 h TRP 94 Ca 0.81 -0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.86 2dn6 h TRP 94 Cb 2.88 0.04 -0.08 0.00 -1.00 0.00 0.00 29.16 31.00 2dn6 h TRP 94 CO -0.00 0.08 0.09 0.82 -3.56 0.00 0.00 178.44 175.86 2dn6 h ILE 95 N -1.02 0.65 0.17 1.49 2.04 0.11 0.18 117.51 121.14 2dn6 h ILE 95 Ca -0.01 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2dn6 h ILE 95 Cb 0.25 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2dn6 h ILE 95 CO 0.02 0.04 -0.16 1.56 0.00 0.00 0.00 178.15 179.61 2dn6 h GLN 96 N 0.22 -0.35 0.49 2.37 1.08 -0.71 0.01 115.11 118.22 2dn6 h GLN 96 Ca 0.29 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.50 2dn6 h GLN 96 Cb 0.42 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2dn6 h GLN 96 CO -0.39 -0.23 -0.48 0.00 -0.95 0.00 0.00 178.83 176.78 2dn6 h ALA 97 N 0.43 -1.07 -0.62 3.87 0.00 -1.12 -1.06 119.26 119.69 2dn6 h ALA 97 Ca -0.00 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.86 2dn6 h ALA 97 Cb 0.33 0.68 -0.10 0.00 0.00 0.00 0.00 17.79 18.71 2dn6 h ALA 97 CO -0.03 -1.14 0.08 0.82 0.00 0.00 0.00 179.25 178.98 2dn6 h ILE 98 N -0.97 0.56 -0.48 0.00 2.04 -0.93 0.17 117.51 117.90 2dn6 h ILE 98 Ca -0.06 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2dn6 h ILE 98 Cb 0.84 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 2dn6 h ILE 98 CO -0.06 0.04 0.17 -0.74 0.00 0.00 0.00 178.15 177.56 2dn6 h HIS 99 N 0.20 0.30 -0.25 1.37 2.76 -0.66 -1.82 115.15 117.04 2dn6 h HIS 99 Ca 0.33 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.49 2dn6 h HIS 99 Cb 0.52 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2dn6 h HIS 99 CO -0.30 0.10 0.02 0.77 -1.30 0.00 0.00 177.93 177.23 2dn6 h SER 100 N 0.35 0.42 -0.73 3.26 0.02 0.17 -2.37 113.55 114.66 2dn6 h SER 100 Ca 0.23 -0.28 0.14 0.00 -0.84 0.00 0.00 61.79 61.04 2dn6 h SER 100 Cb 0.24 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.57 2dn6 h SER 100 CO -0.24 0.60 0.24 0.74 -1.14 0.00 0.00 176.83 177.03 2dn6 h THR 101 N 0.23 0.61 -0.37 -2.27 2.02 -0.26 -1.04 112.91 111.82 2dn6 h THR 101 Ca 0.08 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 2dn6 h THR 101 Cb 0.37 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2dn6 h THR 101 CO 0.01 0.07 0.00 0.40 0.37 0.00 0.00 175.52 176.37 2dn6 h ILE 102 N 0.36 1.26 -0.99 3.11 2.04 -1.24 -2.96 117.51 119.09 2dn6 h ILE 102 Ca 0.40 -0.99 0.23 0.00 1.00 0.00 0.00 64.86 65.51 2dn6 h ILE 102 Cb 0.63 1.16 -0.12 0.00 -0.74 0.00 0.00 36.82 37.75 2dn6 h ILE 102 CO -0.44 0.33 0.58 -0.74 0.00 0.00 0.00 178.15 177.88 2dn6 h HIS 103 N 0.48 0.99 -0.30 1.37 2.76 -0.66 0.52 115.15 120.31 2dn6 h HIS 103 Ca 0.11 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2dn6 h HIS 103 Cb 0.46 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 2dn6 h HIS 103 CO 0.04 0.09 0.21 -0.07 -1.30 0.00 0.00 177.93 176.89 2dn6 h LEU 104 N 0.60 0.19 -0.21 0.26 3.38 -1.26 -0.49 115.31 117.78 2dn6 h LEU 104 Ca 0.62 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.44 2dn6 h LEU 104 Cb 1.14 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2dn6 h LEU 104 CO -0.46 0.13 -0.71 -0.07 0.09 0.00 0.00 178.44 177.41 2dn6 h LEU 105 N 0.22 0.00 -0.79 1.67 3.38 -0.05 -3.26 115.31 116.48 2dn6 h LEU 105 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2dn6 h LEU 105 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2dn6 h LEU 105 CO -0.02 0.71 0.40 0.11 0.09 0.00 0.00 178.44 179.73 2dn6 h LYS 106 N 0.00 1.12 -0.41 1.13 1.57 -0.52 -2.94 116.57 116.52 2dn6 h LYS 106 Ca -0.01 -0.15 0.09 0.00 -1.87 0.00 0.00 60.65 58.71 2dn6 h LYS 106 Cb 1.45 -0.21 -0.09 0.00 0.08 0.00 0.00 32.23 33.47 2dn6 h LYS 106 CO 0.09 0.85 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.56 2dn6 h LEU 107 N 1.10 -0.66 0.00 2.94 -0.00 -1.56 -3.10 115.31 114.03 2dn6 h LEU 107 Ca 0.27 0.15 0.00 0.00 -0.00 0.00 0.00 57.88 58.31 2dn6 h LEU 107 Cb 0.09 0.36 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2dn6 h LEU 107 CO -0.04 -0.23 0.00 0.61 -0.00 0.00 0.00 178.44 178.79 2dn6 n GLY 108 N -1.38 -3.35 2.88 0.83 0.00 -1.11 -4.46 105.19 98.61 2dn6 n GLY 108 Ca 0.02 0.69 -0.52 0.00 0.00 0.00 0.00 46.02 46.21 2dn6 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dn6 n SER 109 N -1.72 0.93 -4.55 1.61 3.41 -1.17 -4.74 113.62 107.38 2dn6 n SER 109 Ca 0.00 0.91 -0.37 0.00 -0.26 0.00 0.00 58.87 59.15 2dn6 n SER 109 Cb 0.00 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.24 2dn6 n SER 109 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dn6 s SER 110 N 2.33 5.52 -0.30 4.04 0.01 -1.26 -4.86 113.70 119.18 2dn6 s SER 110 Ca 0.81 -0.18 -0.17 0.00 1.31 0.00 0.00 55.95 57.71 2dn6 s SER 110 Cb -1.15 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 62.72 2dn6 s SER 110 CO 0.63 -2.27 1.17 -0.83 0.41 0.00 0.00 173.24 172.35 2dn6 s GLY 111 N 6.95 0.18 -0.99 3.44 0.00 -1.26 -5.09 107.32 110.55 2dn6 s GLY 111 Ca 0.59 3.48 -0.24 0.00 0.00 0.00 0.00 44.72 48.55 2dn6 s GLY 111 CO 0.12 3.18 1.94 2.56 0.00 0.00 0.00 173.10 180.91 2dn6 s PRO 112 N 1.94 2.54 -0.47 2.90 0.04 -1.26 -4.88 135.00 135.81 2dn6 s PRO 112 Ca -0.02 -0.57 0.04 0.00 0.04 0.00 0.00 61.00 60.48 2dn6 s PRO 112 Cb -0.03 -5.12 0.12 0.00 0.04 0.00 0.00 34.50 29.51 2dn6 s PRO 112 CO -0.15 -3.57 0.20 0.45 0.04 0.00 0.00 177.00 173.97 2dn6 s SER 113 N 7.53 4.37 0.51 6.66 0.15 -1.26 -4.95 113.70 126.71 2dn6 s SER 113 Ca 0.69 -2.76 0.17 0.00 0.70 0.00 0.00 55.95 54.75 2dn6 s SER 113 Cb -0.05 -1.58 1.24 0.00 -1.71 0.00 0.00 66.02 63.92 2dn6 s SER 113 CO 0.04 -0.27 2.10 0.77 1.20 0.00 0.00 173.24 177.08 2dn6 h SER 114 N 6.81 0.07 -0.02 5.45 4.64 -2.05 -3.52 113.55 124.93 2dn6 h SER 114 Ca -0.07 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2dn6 h SER 114 Cb 0.93 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2dn6 h SER 114 CO 0.63 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.25