#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 1.87 -4.14 1.61 7.64 -1.26 -4.81 113.62 114.53 2dn6 n SER 2 Ca 0.00 0.43 -0.36 0.00 1.01 0.00 0.00 58.87 59.95 2dn6 n SER 2 Cb 0.00 -0.93 -0.12 0.00 -1.01 0.00 0.00 64.21 62.15 2dn6 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dn6 s SER 3 N -6.83 5.13 0.00 6.43 0.15 -1.26 -5.03 113.70 112.30 2dn6 s SER 3 Ca -0.29 -1.78 0.00 0.00 0.70 0.00 0.00 55.95 54.58 2dn6 s SER 3 Cb 0.07 -1.79 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2dn6 s SER 3 CO 0.53 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dn6 n GLY 4 N 4.59 -2.90 3.08 9.45 0.00 -1.26 -5.00 105.19 113.15 2dn6 n GLY 4 Ca -0.05 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 2dn6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dn6 s SER 5 N -1.53 -0.21 0.01 1.61 1.04 -1.26 -4.61 113.70 108.76 2dn6 s SER 5 Ca 0.00 0.58 -0.02 0.00 0.48 0.00 0.00 55.95 56.99 2dn6 s SER 5 Cb 0.00 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2dn6 s SER 5 CO 0.00 -0.18 0.02 -0.44 0.98 0.00 0.00 173.24 173.62 2dn6 s SER 6 N 1.46 0.18 0.03 7.02 0.01 -1.26 -5.09 113.70 116.04 2dn6 s SER 6 Ca -0.08 -0.41 -0.09 0.00 1.31 0.00 0.00 55.95 56.68 2dn6 s SER 6 Cb -0.10 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.21 2dn6 s SER 6 CO -0.09 -0.31 1.15 1.23 0.41 0.00 0.00 173.24 175.62 2dn6 h GLY 7 N 4.59 -1.19 -4.99 3.44 0.00 -2.01 -3.42 103.07 99.49 2dn6 h GLY 7 Ca -0.31 0.55 -0.62 0.00 0.00 0.00 0.00 47.33 46.94 2dn6 h GLY 7 CO 0.41 -0.41 0.54 -0.62 0.00 0.00 0.00 176.54 176.47 2dn6 n VAL 8 N -3.24 0.00 -0.08 4.60 0.31 -1.26 -4.11 118.33 114.56 2dn6 n VAL 8 Ca -0.02 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 2dn6 n VAL 8 Cb 0.11 -0.36 -0.04 0.00 -0.91 0.00 0.00 33.84 32.64 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 3.89 0.00 -8.83 7.52 3.38 -0.84 -3.49 115.31 116.95 2dn6 h LEU 9 Ca -0.29 -0.14 -0.42 0.00 0.09 0.00 0.00 57.88 57.12 2dn6 h LEU 9 Cb 0.98 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 2dn6 h LEU 9 CO 0.71 0.94 -0.73 -0.75 0.09 0.00 0.00 178.44 178.69 2dn6 s LYS 10 N -2.24 1.26 -0.25 1.13 2.20 -1.18 -5.00 119.74 115.65 2dn6 s LYS 10 Ca -0.18 -1.55 -0.20 0.00 -0.36 0.00 0.00 55.97 53.69 2dn6 s LYS 10 Cb 0.03 -1.01 0.07 0.00 -1.51 0.00 0.00 37.83 35.41 2dn6 s LYS 10 CO 0.31 0.16 0.65 1.14 -0.36 0.00 0.00 175.35 177.25 2dn6 s GLN 11 N -3.62 0.73 -0.17 4.03 -2.07 -1.26 -1.81 119.66 115.48 2dn6 s GLN 11 Ca 0.21 1.00 -0.35 0.00 -1.82 0.00 0.00 55.36 54.39 2dn6 s GLN 11 Cb -0.00 0.28 0.15 0.00 -1.09 0.00 0.00 33.01 32.34 2dn6 s GLN 11 CO 0.05 -0.11 1.37 0.20 -1.32 0.00 0.00 175.29 175.48 2dn6 s GLY 12 N 0.79 -0.35 -0.62 2.60 0.00 -1.22 -5.03 107.32 103.50 2dn6 s GLY 12 Ca -0.04 1.39 -0.24 0.00 0.00 0.00 0.00 44.72 45.83 2dn6 s GLY 12 CO -0.06 0.40 1.02 -0.19 0.00 0.00 0.00 173.10 174.26 2dn6 s TYR 13 N -2.13 2.66 0.19 1.90 2.02 -1.26 -2.52 117.35 118.22 2dn6 s TYR 13 Ca 0.13 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 56.73 2dn6 s TYR 13 Cb 0.03 -4.26 -0.04 0.00 -0.40 0.00 0.00 41.96 37.29 2dn6 s TYR 13 CO -0.04 -1.58 0.04 -1.64 -1.57 0.00 0.00 175.55 170.75 2dn6 s MET 14 N 4.33 2.52 -0.38 -0.62 -1.94 -1.05 -4.88 119.30 117.29 2dn6 s MET 14 Ca 0.29 -1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 53.05 2dn6 s MET 14 Cb -0.13 -2.39 0.03 0.00 2.01 0.00 0.00 34.83 34.35 2dn6 s MET 14 CO 0.16 0.44 0.21 -1.64 -0.01 0.00 0.00 175.02 174.18 2dn6 s MET 15 N -3.16 2.80 0.25 2.03 -1.94 -1.01 0.12 119.30 118.39 2dn6 s MET 15 Ca 0.29 -1.11 -0.06 0.00 -1.71 0.00 0.00 55.69 53.10 2dn6 s MET 15 Cb -0.09 -3.74 -0.06 0.00 2.01 0.00 0.00 34.83 32.95 2dn6 s MET 15 CO 0.20 -0.72 0.53 0.21 -0.01 0.00 0.00 175.02 175.23 2dn6 s LYS 16 N 1.55 3.69 -0.38 2.03 2.20 -1.07 0.72 119.74 128.47 2dn6 s LYS 16 Ca 0.02 0.08 -0.16 0.00 -0.36 0.00 0.00 55.97 55.55 2dn6 s LYS 16 Cb -0.19 -2.67 0.01 0.00 -1.51 0.00 0.00 37.83 33.46 2dn6 s LYS 16 CO 0.07 0.28 0.40 0.21 -0.36 0.00 0.00 175.35 175.95 2dn6 s LYS 17 N -3.18 3.31 0.26 4.03 2.20 -0.74 -2.93 119.74 122.69 2dn6 s LYS 17 Ca 0.45 -0.60 -0.27 0.00 -0.36 0.00 0.00 55.97 55.19 2dn6 s LYS 17 Cb -0.11 -3.89 -0.16 0.00 -1.51 0.00 0.00 37.83 32.16 2dn6 s LYS 17 CO 0.26 -0.70 0.61 0.41 -0.36 0.00 0.00 175.35 175.58 2dn6 n GLY 18 N 5.03 -1.43 0.21 5.54 0.00 -0.94 -4.73 105.19 108.88 2dn6 n GLY 18 Ca -0.08 0.28 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 2dn6 n GLY 18 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2dn6 h HIS 19 N 1.17 -0.43 0.07 1.61 2.07 -1.96 -3.35 115.15 114.34 2dn6 h HIS 19 Ca -0.33 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.18 2dn6 h HIS 19 Cb 1.41 0.15 0.00 0.00 2.57 0.00 0.00 27.41 31.54 2dn6 h HIS 19 CO 0.42 -0.26 -0.04 -0.09 -3.07 0.00 0.00 177.93 174.89 2dn6 h ARG 20 N -0.43 -0.10 -6.38 5.12 9.65 -2.01 -3.45 114.38 116.78 2dn6 h ARG 20 Ca -0.03 0.01 -0.54 0.00 -1.10 0.00 0.00 59.98 58.32 2dn6 h ARG 20 Cb 0.35 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.92 2dn6 h ARG 20 CO 0.04 -0.06 0.20 0.50 2.80 0.00 0.00 179.97 183.44 2dn6 s ARG 21 N -1.77 4.54 -0.07 0.20 3.52 -1.25 -4.94 118.95 119.17 2dn6 s ARG 21 Ca -0.01 1.14 -0.03 0.00 -0.13 0.00 0.00 55.73 56.70 2dn6 s ARG 21 Cb 0.00 -3.35 -0.08 0.00 -1.56 0.00 0.00 34.95 29.96 2dn6 s ARG 21 CO 0.04 0.31 2.70 1.63 -0.81 0.00 0.00 175.30 179.18 2dn6 n LYS 22 N 2.63 1.59 -3.28 5.12 5.02 -1.26 -2.95 118.16 125.03 2dn6 n LYS 22 Ca -0.02 -0.75 -0.19 0.00 -2.02 0.00 0.00 58.31 55.34 2dn6 n LYS 22 Cb 0.50 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2dn6 n LYS 22 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2dn6 s ASN 23 N 1.68 5.85 -0.06 4.39 2.47 -1.26 -4.90 114.94 123.10 2dn6 s ASN 23 Ca 0.34 -0.23 0.05 0.00 0.42 0.00 0.00 52.86 53.44 2dn6 s ASN 23 Cb 0.18 -1.06 -0.00 0.00 -1.45 0.00 0.00 41.25 38.91 2dn6 s ASN 23 CO -0.02 -0.57 -0.21 0.26 -3.72 0.00 0.00 177.10 172.84 2dn6 s TRP 24 N -2.27 2.12 -0.01 0.43 0.52 -1.26 -2.22 118.94 116.25 2dn6 s TRP 24 Ca 0.49 -0.70 0.01 0.00 0.02 0.00 0.00 56.10 55.91 2dn6 s TRP 24 Cb -0.10 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 2dn6 s TRP 24 CO 0.32 -0.25 -0.01 -0.08 0.02 0.00 0.00 176.95 176.95 2dn6 s THR 25 N 0.10 0.16 -0.54 2.01 -1.32 -1.15 -4.97 115.64 109.93 2dn6 s THR 25 Ca -0.08 -0.04 -0.27 0.00 -1.21 0.00 0.00 61.69 60.09 2dn6 s THR 25 Cb -0.14 -0.17 -0.01 0.00 -1.51 0.00 0.00 72.50 70.67 2dn6 s THR 25 CO 0.04 0.07 1.74 -0.70 -2.21 0.00 0.00 174.62 173.56 2dn6 s GLU 26 N 0.22 2.94 -0.08 7.08 2.12 -1.26 -2.61 118.70 127.11 2dn6 s GLU 26 Ca -0.02 0.75 0.05 0.00 0.36 0.00 0.00 54.97 56.11 2dn6 s GLU 26 Cb -0.04 -4.28 -0.00 0.00 0.26 0.00 0.00 34.13 30.06 2dn6 s GLU 26 CO -0.01 -2.35 -0.23 0.50 -0.54 0.00 0.00 175.26 172.63 2dn6 s ARG 27 N 6.37 2.65 0.46 4.30 6.06 0.12 -4.92 118.95 133.99 2dn6 s ARG 27 Ca 0.66 -0.82 -0.24 0.00 -2.50 0.00 0.00 55.73 52.83 2dn6 s ARG 27 Cb -0.14 -2.11 -0.08 0.00 0.06 0.00 0.00 34.95 32.69 2dn6 s ARG 27 CO 0.24 0.24 1.33 -0.46 -2.50 0.00 0.00 175.30 174.15 2dn6 s TRP 28 N 0.18 2.61 0.03 5.12 -0.11 -0.59 -2.52 118.94 123.65 2dn6 s TRP 28 Ca -0.12 1.38 0.05 0.00 1.22 0.00 0.00 56.10 58.62 2dn6 s TRP 28 Cb -0.16 -3.73 -0.02 0.00 -1.50 0.00 0.00 33.47 28.07 2dn6 s TRP 28 CO 0.06 -2.42 -0.14 -0.06 -4.62 0.00 0.00 176.95 169.78 2dn6 s PHE 29 N -1.29 1.19 -0.37 5.86 0.08 -1.05 -1.44 117.98 120.96 2dn6 s PHE 29 Ca 0.62 -0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.37 2dn6 s PHE 29 Cb -0.39 -0.72 0.11 0.00 -0.57 0.00 0.00 43.02 41.46 2dn6 s PHE 29 CO 0.49 0.02 0.14 0.08 -0.10 0.00 0.00 175.22 175.85 2dn6 s VAL 30 N -0.72 1.49 -0.63 -0.44 1.01 0.34 -3.37 120.40 118.07 2dn6 s VAL 30 Ca 0.02 -2.12 -0.27 0.00 0.00 0.00 0.00 61.98 59.62 2dn6 s VAL 30 Cb -0.07 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 2dn6 s VAL 30 CO 0.01 -0.74 1.74 -0.22 0.00 0.00 0.00 175.10 175.89 2dn6 s LEU 31 N 0.92 3.27 0.66 3.92 2.96 -0.75 -1.92 118.68 127.73 2dn6 s LEU 31 Ca 0.13 0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 54.13 2dn6 s LEU 31 Cb -0.21 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.93 2dn6 s LEU 31 CO -0.12 -2.25 1.04 -0.54 -1.32 0.00 0.00 176.35 173.16 2dn6 s LYS 32 N 6.73 3.04 0.39 1.98 -0.14 0.78 -0.20 119.74 132.33 2dn6 s LYS 32 Ca 0.61 0.43 0.18 0.00 -1.36 0.00 0.00 55.97 55.83 2dn6 s LYS 32 Cb -0.12 -2.09 0.80 0.00 -1.68 0.00 0.00 37.83 34.74 2dn6 s LYS 32 CO 0.20 -0.86 1.80 -1.00 -0.76 0.00 0.00 175.35 174.74 2dn6 h PRO 33 N -0.48 0.00 0.00 -1.68 0.13 -1.94 -3.25 132.00 124.78 2dn6 h PRO 33 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 2dn6 h PRO 33 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2dn6 h PRO 33 CO 0.63 0.35 -0.62 0.09 -0.23 0.00 0.00 178.00 178.22 2dn6 n ASN 34 N -3.71 0.99 -3.37 1.44 4.13 -1.26 -4.90 115.26 108.57 2dn6 n ASN 34 Ca -0.01 -2.47 0.03 0.00 1.68 0.00 0.00 54.58 53.81 2dn6 n ASN 34 Cb 0.44 -0.32 0.01 0.00 -1.54 0.00 0.00 39.78 38.37 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 -0.22 0.00 -3.39 2.41 3.06 -1.23 -3.92 119.36 116.07 2dn6 n ILE 35 Ca 0.08 -0.06 -0.14 0.00 -2.50 0.00 0.00 62.75 60.13 2dn6 n ILE 35 Cb 0.85 0.43 -0.09 0.00 0.54 0.00 0.00 39.64 41.36 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 -2.02 -0.48 0.03 9.51 1.01 -1.08 -0.15 121.20 128.02 2dn6 s ILE 36 Ca 0.25 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.70 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 -0.02 -0.29 -0.13 -0.44 0.00 0.00 0.00 174.94 174.07 2dn6 s SER 37 N 2.44 4.17 -0.01 3.58 0.01 -0.81 -0.68 113.70 122.39 2dn6 s SER 37 Ca 0.10 -0.32 0.06 0.00 1.31 0.00 0.00 55.95 57.10 2dn6 s SER 37 Cb -0.14 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 2dn6 s SER 37 CO -0.23 0.26 -0.20 -0.72 0.41 0.00 0.00 173.24 172.76 2dn6 s TYR 38 N -0.98 1.78 0.23 2.43 1.13 -1.23 0.13 117.35 120.82 2dn6 s TYR 38 Ca 0.16 -0.34 0.11 0.00 -1.41 0.00 0.00 57.07 55.59 2dn6 s TYR 38 Cb -0.11 -1.14 -0.05 0.00 -1.10 0.00 0.00 41.96 39.57 2dn6 s TYR 38 CO 0.07 -0.02 -0.17 0.71 -2.51 0.00 0.00 175.55 173.63 2dn6 s TYR 39 N -0.48 2.42 0.23 -3.49 1.51 -0.52 -1.94 117.35 115.08 2dn6 s TYR 39 Ca 0.08 -0.30 -0.10 0.00 -1.01 0.00 0.00 57.07 55.74 2dn6 s TYR 39 Cb -0.08 -1.13 0.36 0.00 -0.11 0.00 0.00 41.96 41.00 2dn6 s TYR 39 CO -0.01 0.58 1.63 0.28 -1.11 0.00 0.00 175.55 176.93 2dn6 h VAL 40 N 2.65 0.35 -3.78 0.71 2.07 -1.80 -1.57 116.25 114.88 2dn6 h VAL 40 Ca -0.44 -0.02 -0.27 0.00 0.82 0.00 0.00 66.70 66.78 2dn6 h VAL 40 Cb 1.23 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 2dn6 h VAL 40 CO 0.55 0.01 -0.24 -1.20 0.02 0.00 0.00 177.57 176.71 2dn6 n SER 41 N -5.38 0.57 -1.46 0.57 7.64 -1.26 -3.58 113.62 110.72 2dn6 n SER 41 Ca 0.11 -2.12 -0.06 0.00 1.01 0.00 0.00 58.87 57.81 2dn6 n SER 41 Cb 0.42 0.65 0.03 0.00 -1.01 0.00 0.00 64.21 64.29 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 -0.42 1.31 -0.06 1.43 0.28 -1.26 -3.62 120.64 118.29 2dn6 n GLU 42 Ca -0.01 -0.66 -0.05 0.00 -0.16 0.00 0.00 57.16 56.28 2dn6 n GLU 42 Cb 0.31 -1.26 -0.10 0.00 1.43 0.00 0.00 31.44 31.82 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 0.56 1.79 -2.54 -1.84 8.00 -1.26 -5.03 116.55 116.22 2dn6 n ASP 43 Ca 0.13 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.50 2dn6 n ASP 43 Cb 0.64 0.88 0.06 0.00 -0.02 0.00 0.00 41.12 42.68 2dn6 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2dn6 n LEU 44 N -2.45 -3.12 -0.04 0.64 4.77 -1.24 -4.95 117.00 110.61 2dn6 n LEU 44 Ca -0.20 -0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 2dn6 n LEU 44 Cb 0.89 -2.18 -0.04 0.00 -2.33 0.00 0.00 43.42 39.76 2dn6 n LEU 44 CO 0.28 0.34 -0.78 0.29 -1.33 0.00 0.00 177.39 176.18 2dn6 n LYS 45 N -3.23 0.21 -3.70 3.23 4.76 -1.26 -4.87 118.16 113.31 2dn6 n LYS 45 Ca -0.09 0.05 -0.36 0.00 -2.87 0.00 0.00 58.31 55.04 2dn6 n LYS 45 Cb 0.58 -1.16 -0.08 0.00 -1.84 0.00 0.00 35.03 32.52 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 -4.86 5.52 0.64 4.39 1.01 -1.26 -5.08 116.67 117.03 2dn6 s ASP 46 Ca -0.12 -3.31 -0.18 0.00 0.71 0.00 0.00 52.55 49.66 2dn6 s ASP 46 Cb 0.03 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 42.08 2dn6 s ASP 46 CO 0.20 -0.27 1.24 -0.75 0.21 0.00 0.00 175.17 175.80 2dn6 s LYS 47 N -0.73 2.69 -0.15 8.23 2.20 -1.26 -2.82 119.74 127.90 2dn6 s LYS 47 Ca 0.22 1.90 -0.02 0.00 -0.36 0.00 0.00 55.97 57.71 2dn6 s LYS 47 Cb -0.14 -1.88 -0.09 0.00 -1.51 0.00 0.00 37.83 34.21 2dn6 s LYS 47 CO -0.08 -1.45 -0.16 1.63 -0.36 0.00 0.00 175.35 174.93 2dn6 n LYS 48 N -1.89 0.36 -1.58 4.03 4.76 -0.82 -4.89 118.16 118.12 2dn6 n LYS 48 Ca 0.14 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 2dn6 n LYS 48 Cb 0.49 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 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 2.53 0.54 3.19 0.72 0.00 -1.25 -5.05 105.19 105.87 2dn6 n GLY 49 Ca -0.28 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.44 -0.20 -0.41 1.61 1.01 -1.26 -3.57 116.67 113.41 2dn6 s ASP 50 Ca 0.00 0.25 0.01 0.00 0.71 0.00 0.00 52.55 53.52 2dn6 s ASP 50 Cb 0.00 0.41 0.11 0.00 1.01 0.00 0.00 42.92 44.46 2dn6 s ASP 50 CO 0.00 -0.28 0.16 -0.63 0.21 0.00 0.00 175.17 174.63 2dn6 s ILE 51 N -0.70 2.80 -0.30 0.77 1.01 0.15 -4.96 121.20 119.98 2dn6 s ILE 51 Ca -0.08 -2.41 -0.35 0.00 0.00 0.00 0.00 60.65 57.81 2dn6 s ILE 51 Cb -0.04 -2.97 -0.11 0.00 0.01 0.00 0.00 42.46 39.34 2dn6 s ILE 51 CO 0.02 -0.68 2.11 0.18 0.00 0.00 0.00 174.94 176.57 2dn6 n LEU 52 N 4.18 2.42 -4.72 2.97 4.77 -1.26 -2.65 117.00 122.71 2dn6 n LEU 52 Ca 0.02 0.53 -0.41 0.00 -0.03 0.00 0.00 56.01 56.12 2dn6 n LEU 52 Cb 0.40 -1.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.17 2dn6 n LEU 52 CO 0.28 -0.61 0.68 -0.76 -1.33 0.00 0.00 177.39 175.66 2dn6 s LEU 53 N 6.60 4.45 -0.08 2.23 1.43 -1.25 -4.93 118.68 127.13 2dn6 s LEU 53 Ca 1.06 1.76 -0.21 0.00 -1.03 0.00 0.00 54.13 55.71 2dn6 s LEU 53 Cb -0.81 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 41.87 2dn6 s LEU 53 CO 0.50 -0.15 0.49 1.51 0.23 0.00 0.00 176.35 178.93 2dn6 s ASP 54 N 0.39 -0.44 0.32 2.29 1.47 -1.26 -4.84 116.67 114.60 2dn6 s ASP 54 Ca 0.49 0.57 0.24 0.00 1.18 0.00 0.00 52.55 55.02 2dn6 s ASP 54 Cb -0.23 0.60 1.09 0.00 -0.34 0.00 0.00 42.92 44.04 2dn6 s ASP 54 CO 0.29 -0.42 1.14 -1.84 0.68 0.00 0.00 175.17 175.02 2dn6 n GLU 55 N 1.61 -0.03 0.17 2.11 0.28 -1.26 0.16 120.64 123.69 2dn6 n GLU 55 Ca -0.18 0.91 -0.14 0.00 -0.16 0.00 0.00 57.16 57.59 2dn6 n GLU 55 Cb 0.56 -1.80 -0.08 0.00 1.43 0.00 0.00 31.44 31.56 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 -0.31 -2.34 -1.84 2.35 -1.95 -3.43 115.58 108.07 2dn6 h ASN 56 Ca 0.64 0.01 -0.61 0.00 -0.55 0.00 0.00 56.30 55.79 2dn6 h ASN 56 Cb 2.07 0.08 0.07 0.00 0.05 0.00 0.00 38.32 40.59 2dn6 h ASN 56 CO -0.34 -0.22 0.55 0.00 -1.65 0.00 0.00 177.43 175.77 2dn6 s VAL 59 N -3.89 2.24 0.12 0.00 0.11 -1.26 -0.90 120.40 116.83 2dn6 s VAL 59 Ca 0.06 -1.07 0.03 0.00 -2.93 0.00 0.00 61.98 58.08 2dn6 s VAL 59 Cb 0.07 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.07 2dn6 s VAL 59 CO -0.10 0.56 -0.09 -1.83 -3.33 0.00 0.00 175.10 170.31 2dn6 s GLU 60 N -0.70 0.96 -0.26 1.54 4.04 -0.83 -5.01 118.70 118.44 2dn6 s GLU 60 Ca 0.10 -1.38 -0.09 0.00 0.04 0.00 0.00 54.97 53.64 2dn6 s GLU 60 Cb -0.10 -0.47 -0.04 0.00 0.02 0.00 0.00 34.13 33.54 2dn6 s GLU 60 CO -0.00 0.04 0.14 -1.12 -1.84 0.00 0.00 175.26 172.48 2dn6 s SER 61 N -3.05 5.68 0.21 0.83 0.01 -1.26 -2.01 113.70 114.10 2dn6 s SER 61 Ca 0.14 -0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.25 2dn6 s SER 61 Cb 0.03 -2.04 -0.06 0.00 0.21 0.00 0.00 66.02 64.16 2dn6 s SER 61 CO -0.01 -0.03 0.48 -0.76 0.41 0.00 0.00 173.24 173.32 2dn6 s LEU 62 N 1.64 4.19 0.00 2.44 1.43 0.23 -4.97 118.68 123.63 2dn6 s LEU 62 Ca 0.07 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 2dn6 s LEU 62 Cb -0.15 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2dn6 s LEU 62 CO 0.08 -0.05 0.00 -0.81 0.23 0.00 0.00 176.35 175.80 2dn6 n PRO 63 N -0.20 0.23 -3.22 1.29 -0.04 -1.26 -3.52 135.00 128.28 2dn6 n PRO 63 Ca -0.01 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 2dn6 n PRO 63 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 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 6.35 0.04 3.54 1.01 -1.26 -4.43 116.67 120.41 2dn6 s ASP 64 Ca 0.00 0.09 0.03 0.00 0.71 0.00 0.00 52.55 53.38 2dn6 s ASP 64 Cb 0.00 -2.28 -0.02 0.00 1.01 0.00 0.00 42.92 41.63 2dn6 s ASP 64 CO 0.00 -0.47 -0.09 -1.59 0.21 0.00 0.00 175.17 173.23 2dn6 s LYS 65 N 2.44 0.61 -1.42 8.23 -2.85 -1.25 -4.80 119.74 120.69 2dn6 s LYS 65 Ca 0.20 -0.69 -0.10 0.00 -1.00 0.00 0.00 55.97 54.38 2dn6 s LYS 65 Cb -0.15 -0.49 0.07 0.00 -2.06 0.00 0.00 37.83 35.20 2dn6 s LYS 65 CO 0.13 0.11 0.66 -3.47 0.10 0.00 0.00 175.35 172.88 2dn6 n ASP 66 N 1.76 -4.46 -2.62 0.03 2.03 -1.26 -1.46 116.55 110.56 2dn6 n ASP 66 Ca -0.20 -0.50 -0.13 0.00 0.52 0.00 0.00 54.79 54.47 2dn6 n ASP 66 Cb 0.55 -3.63 0.06 0.00 -0.72 0.00 0.00 41.12 37.38 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 -1.39 -0.09 3.54 0.27 0.00 -1.26 -5.04 105.19 101.22 2dn6 n GLY 67 Ca -0.01 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.23 1.81 -0.08 1.61 -0.14 -0.54 -5.16 119.74 112.01 2dn6 s LYS 68 Ca 0.13 -1.96 -0.11 0.00 -1.36 0.00 0.00 55.97 52.67 2dn6 s LYS 68 Cb -0.06 -1.58 0.03 0.00 -1.68 0.00 0.00 37.83 34.54 2dn6 s LYS 68 CO 0.49 0.07 0.29 0.15 -0.76 0.00 0.00 175.35 175.60 2dn6 s LYS 69 N -3.66 0.45 -1.20 1.68 3.01 -1.26 -3.97 119.74 114.79 2dn6 s LYS 69 Ca 0.33 0.20 -0.00 0.00 -1.01 0.00 0.00 55.97 55.49 2dn6 s LYS 69 Cb 0.05 0.21 0.00 0.00 -1.01 0.00 0.00 37.83 37.08 2dn6 s LYS 69 CO 0.16 -0.08 1.00 0.00 0.51 0.00 0.00 175.35 176.93 2dn6 s LEU 71 N -6.35 4.53 -0.03 0.00 1.43 -1.23 -3.53 118.68 113.50 2dn6 s LEU 71 Ca 0.02 1.30 -0.00 0.00 -1.03 0.00 0.00 54.13 54.41 2dn6 s LEU 71 Cb -0.01 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.31 2dn6 s LEU 71 CO 0.72 0.26 0.04 0.72 0.23 0.00 0.00 176.35 178.33 2dn6 s PHE 72 N -1.07 0.01 -0.01 0.29 -0.12 -1.12 0.75 117.98 116.71 2dn6 s PHE 72 Ca 0.30 0.17 0.06 0.00 -0.05 0.00 0.00 56.93 57.40 2dn6 s PHE 72 Cb -0.20 -0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 41.94 2dn6 s PHE 72 CO 0.20 -0.10 -0.17 -1.17 -0.05 0.00 0.00 175.22 173.93 2dn6 s LEU 73 N 1.10 2.63 -0.13 -1.99 0.20 -0.85 -2.36 118.68 117.26 2dn6 s LEU 73 Ca -0.09 -0.32 -0.03 0.00 0.69 0.00 0.00 54.13 54.38 2dn6 s LEU 73 Cb -0.13 -1.53 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 2dn6 s LEU 73 CO -0.03 0.30 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.61 2dn6 s VAL 74 N -0.81 4.00 0.03 1.68 1.01 0.17 -1.97 120.40 124.51 2dn6 s VAL 74 Ca 0.13 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.84 2dn6 s VAL 74 Cb -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2dn6 s VAL 74 CO 0.03 0.52 -0.18 -1.59 0.00 0.00 0.00 175.10 173.88 2dn6 s LYS 75 N 0.00 2.12 0.37 2.72 -2.85 -0.08 -0.41 119.74 121.61 2dn6 s LYS 75 Ca 0.01 -0.95 0.04 0.00 -1.00 0.00 0.00 55.97 54.08 2dn6 s LYS 75 Cb -0.13 -2.20 -0.03 0.00 -2.06 0.00 0.00 37.83 33.41 2dn6 s LYS 75 CO 0.02 0.55 0.15 0.00 0.10 0.00 0.00 175.35 176.17 2dn6 n PHE 77 N -0.79 0.00 0.00 0.00 3.72 -1.26 -3.91 117.46 115.22 2dn6 n PHE 77 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2dn6 n PHE 77 Cb 0.65 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 -2.36 4.54 -4.86 4.37 9.92 -1.26 -5.05 116.55 121.85 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 0.48 -0.04 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 -1.90 3.90 0.02 -1.24 1.02 -1.25 -5.09 119.74 115.19 2dn6 s LYS 79 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.66 2dn6 s LYS 79 Cb 0.00 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 2dn6 s LYS 79 CO 0.00 -0.05 -0.04 0.95 -0.92 0.00 0.00 175.35 175.30 2dn6 s THR 80 N -2.33 0.18 0.01 2.17 -4.23 -1.26 -0.78 115.64 109.40 2dn6 s THR 80 Ca 0.54 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 2dn6 s THR 80 Cb -0.10 -0.31 -0.01 0.00 1.34 0.00 0.00 72.50 73.41 2dn6 s THR 80 CO 0.27 -0.46 -0.02 -0.36 -0.54 0.00 0.00 174.62 173.51 2dn6 s PHE 81 N -1.39 0.20 -0.09 3.99 0.40 0.45 -5.00 117.98 116.54 2dn6 s PHE 81 Ca -0.14 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 2dn6 s PHE 81 Cb -0.10 -0.14 0.02 0.00 0.51 0.00 0.00 43.02 43.31 2dn6 s PHE 81 CO -0.01 -0.10 -0.11 -2.00 0.70 0.00 0.00 175.22 173.70 2dn6 s GLU 82 N -0.87 1.68 0.05 0.44 -6.30 -1.26 0.46 118.70 112.91 2dn6 s GLU 82 Ca -0.09 -0.37 0.05 0.00 -2.50 0.00 0.00 54.97 52.06 2dn6 s GLU 82 Cb -0.06 -1.52 -0.02 0.00 0.00 0.00 0.00 34.13 32.52 2dn6 s GLU 82 CO -0.00 -0.10 -0.13 0.42 0.02 0.00 0.00 175.26 175.46 2dn6 s ILE 83 N 1.10 1.05 -0.10 -3.70 1.01 -1.00 -1.79 121.20 117.77 2dn6 s ILE 83 Ca -0.06 -1.07 0.02 0.00 0.00 0.00 0.00 60.65 59.55 2dn6 s ILE 83 Cb -0.14 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2dn6 s ILE 83 CO -0.02 -0.09 -0.18 -0.94 0.00 0.00 0.00 174.94 173.72 2dn6 s SER 84 N -1.31 3.61 0.53 3.58 1.04 0.22 -2.81 113.70 118.57 2dn6 s SER 84 Ca -0.00 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 2dn6 s SER 84 Cb -0.08 -1.34 -0.01 0.00 0.10 0.00 0.00 66.02 64.69 2dn6 s SER 84 CO 0.01 0.20 0.82 0.00 0.98 0.00 0.00 173.24 175.25 2dn6 s ALA 85 N 0.13 3.43 -0.04 5.32 0.00 -1.23 -2.39 121.76 126.97 2dn6 s ALA 85 Ca -0.09 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.18 2dn6 s ALA 85 Cb -0.15 -2.50 -0.25 0.00 0.00 0.00 0.00 23.12 20.22 2dn6 s ALA 85 CO 0.06 -0.59 0.67 0.66 0.00 0.00 0.00 175.76 176.56 2dn6 h SER 86 N 0.05 0.20 -5.49 0.00 4.64 -1.89 -3.47 113.55 107.59 2dn6 h SER 86 Ca -0.46 -0.38 -0.23 0.00 -0.47 0.00 0.00 61.79 60.25 2dn6 h SER 86 Cb 1.24 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 63.17 2dn6 h SER 86 CO 0.60 1.33 -0.25 -0.62 -0.87 0.00 0.00 176.83 177.02 2dn6 s ASP 87 N -6.59 0.64 0.33 4.97 2.15 -1.26 -5.04 116.67 111.87 2dn6 s ASP 87 Ca -0.10 -1.37 0.01 0.00 0.43 0.00 0.00 52.55 51.52 2dn6 s ASP 87 Cb 0.07 0.60 0.58 0.00 -0.30 0.00 0.00 42.92 43.88 2dn6 s ASP 87 CO 0.82 -1.19 1.99 0.11 -0.17 0.00 0.00 175.17 176.73 2dn6 h LYS 88 N 2.21 0.91 0.29 4.34 1.57 -1.94 -1.75 116.57 122.20 2dn6 h LYS 88 Ca -0.29 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2dn6 h LYS 88 Cb 1.24 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 2dn6 h LYS 88 CO 0.40 0.60 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.39 2dn6 h LYS 89 N 0.94 -0.53 -0.07 3.15 1.63 -1.98 -0.28 116.57 119.43 2dn6 h LYS 89 Ca 0.26 0.04 0.04 0.00 -0.85 0.00 0.00 60.65 60.14 2dn6 h LYS 89 Cb -0.07 0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.63 2dn6 h LYS 89 CO -0.06 -0.35 -0.22 0.87 -3.45 0.00 0.00 179.45 176.24 2dn6 h LYS 90 N -0.55 -0.30 -0.13 1.90 6.56 -1.95 0.24 116.57 122.33 2dn6 h LYS 90 Ca -0.04 0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.59 2dn6 h LYS 90 Cb 0.47 0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 32.17 2dn6 h LYS 90 CO -0.02 -0.20 -0.19 -0.22 -2.06 0.00 0.00 179.45 176.76 2dn6 h LYS 91 N -0.31 -0.14 0.35 3.15 3.11 -1.26 0.32 116.57 121.79 2dn6 h LYS 91 Ca 0.08 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 2dn6 h LYS 91 Cb 0.43 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2dn6 h LYS 91 CO -0.25 -0.09 -0.25 0.37 -2.81 0.00 0.00 179.45 176.41 2dn6 h GLN 92 N -0.15 -0.56 -0.87 1.90 5.75 -0.93 -0.35 115.11 119.92 2dn6 h GLN 92 Ca 0.02 0.04 0.16 0.00 -0.15 0.00 0.00 58.65 58.72 2dn6 h GLN 92 Cb 0.21 0.13 -0.15 0.00 1.07 0.00 0.00 27.48 28.73 2dn6 h GLN 92 CO -0.20 -0.37 -0.27 0.39 -2.65 0.00 0.00 178.83 175.74 2dn6 n GLU 93 N -3.90 -0.13 0.19 1.69 1.02 0.82 -0.10 120.64 120.23 2dn6 n GLU 93 Ca -0.07 1.35 -0.07 0.00 -0.02 0.00 0.00 57.16 58.34 2dn6 n GLU 93 Cb 0.25 -2.00 -0.03 0.00 -0.02 0.00 0.00 31.44 29.63 2dn6 n GLU 93 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2dn6 h TRP 94 N 0.00 -0.44 -0.85 -0.32 4.06 -0.17 -1.57 115.95 116.66 2dn6 h TRP 94 Ca 0.37 -0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.44 2dn6 h TRP 94 Cb 0.59 0.14 -0.14 0.00 -1.00 0.00 0.00 29.16 28.75 2dn6 h TRP 94 CO -0.70 -0.27 -0.38 0.82 -3.56 0.00 0.00 178.44 174.34 2dn6 h ILE 95 N -0.49 0.06 -0.98 1.49 2.04 0.24 0.70 117.51 120.57 2dn6 h ILE 95 Ca -0.05 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.95 2dn6 h ILE 95 Cb 0.36 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 2dn6 h ILE 95 CO 0.08 0.00 0.62 1.56 0.00 0.00 0.00 178.15 180.41 2dn6 h GLN 96 N -0.06 0.86 0.36 2.37 1.08 -0.51 0.15 115.11 119.35 2dn6 h GLN 96 Ca 0.30 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.43 2dn6 h GLN 96 Cb 0.58 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2dn6 h GLN 96 CO -0.88 0.57 -0.17 0.00 -0.95 0.00 0.00 178.83 177.40 2dn6 h ALA 97 N 1.57 -0.48 -0.56 3.87 0.00 0.13 -1.61 119.26 122.19 2dn6 h ALA 97 Ca 0.50 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.28 2dn6 h ALA 97 Cb 0.62 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 2dn6 h ALA 97 CO -0.27 -0.61 0.28 0.82 0.00 0.00 0.00 179.25 179.47 2dn6 h ILE 98 N -0.80 0.93 -0.19 0.00 2.04 -0.43 0.20 117.51 119.26 2dn6 h ILE 98 Ca -0.05 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2dn6 h ILE 98 Cb 0.52 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 2dn6 h ILE 98 CO 0.08 0.10 0.07 -0.74 0.00 0.00 0.00 178.15 177.65 2dn6 h HIS 99 N 0.53 0.12 -0.07 1.37 2.76 -0.73 -1.84 115.15 117.29 2dn6 h HIS 99 Ca 0.25 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 2dn6 h HIS 99 Cb 0.18 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 2dn6 h HIS 99 CO -0.11 0.06 0.02 0.77 -1.30 0.00 0.00 177.93 177.38 2dn6 h SER 100 N 0.16 0.10 -0.79 3.26 0.02 -0.83 -1.56 113.55 113.91 2dn6 h SER 100 Ca 0.08 -0.21 0.17 0.00 -0.84 0.00 0.00 61.79 60.99 2dn6 h SER 100 Cb 0.05 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.46 2dn6 h SER 100 CO -0.08 0.28 0.29 0.74 -1.14 0.00 0.00 176.83 176.91 2dn6 h THR 101 N -0.09 0.56 -0.30 -2.27 2.02 -0.45 -0.69 112.91 111.68 2dn6 h THR 101 Ca 0.02 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 2dn6 h THR 101 Cb 0.22 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2dn6 h THR 101 CO -0.00 0.07 -0.22 0.40 0.37 0.00 0.00 175.52 176.14 2dn6 h ILE 102 N 0.38 1.30 -1.02 3.11 2.04 -1.19 -3.08 117.51 119.05 2dn6 h ILE 102 Ca 0.46 -1.36 0.26 0.00 1.00 0.00 0.00 64.86 65.22 2dn6 h ILE 102 Cb 0.77 1.51 -0.12 0.00 -0.74 0.00 0.00 36.82 38.25 2dn6 h ILE 102 CO -0.48 0.44 0.61 -0.74 0.00 0.00 0.00 178.15 177.98 2dn6 h HIS 103 N 0.43 0.93 -0.80 1.37 2.76 -0.09 0.40 115.15 120.16 2dn6 h HIS 103 Ca 0.06 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2dn6 h HIS 103 Cb 0.77 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 29.42 2dn6 h HIS 103 CO 0.07 0.04 0.52 -0.07 -1.30 0.00 0.00 177.93 177.19 2dn6 h LEU 104 N 0.52 0.92 -1.32 0.26 3.38 -1.35 -1.44 115.31 116.30 2dn6 h LEU 104 Ca 0.64 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.51 2dn6 h LEU 104 Cb 1.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2dn6 h LEU 104 CO -0.45 0.68 -0.34 -0.07 0.09 0.00 0.00 178.44 178.35 2dn6 h LEU 105 N 1.09 0.00 -0.31 1.67 3.38 -0.29 -2.98 115.31 117.87 2dn6 h LEU 105 Ca 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 2dn6 h LEU 105 Cb -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dn6 h LEU 105 CO -0.06 0.34 0.10 0.11 0.09 0.00 0.00 178.44 179.02 2dn6 h LYS 106 N 0.00 0.48 -0.78 1.13 1.57 -0.86 -3.01 116.57 115.10 2dn6 h LYS 106 Ca -0.00 -0.10 0.18 0.00 -1.87 0.00 0.00 60.65 58.85 2dn6 h LYS 106 Cb 0.62 -0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.72 2dn6 h LYS 106 CO 0.04 0.52 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.37 2dn6 h LEU 107 N 0.34 -0.39 -0.59 2.94 -0.00 -1.36 -1.98 115.31 114.27 2dn6 h LEU 107 Ca 0.10 0.21 0.06 0.00 -0.00 0.00 0.00 57.88 58.24 2dn6 h LEU 107 Cb 0.24 0.37 -0.08 0.00 -0.00 0.00 0.00 40.66 41.19 2dn6 h LEU 107 CO -0.00 -0.20 -0.43 1.23 -0.00 0.00 0.00 178.44 179.04 2dn6 h GLY 108 N 0.09 -1.31 -7.30 0.83 0.00 -1.62 -3.30 103.07 90.46 2dn6 h GLY 108 Ca 0.43 0.85 -0.73 0.00 0.00 0.00 0.00 47.33 47.87 2dn6 h GLY 108 CO -0.70 -0.25 -0.39 -0.56 0.00 0.00 0.00 176.54 174.64 2dn6 s SER 109 N -4.71 5.75 -0.41 0.19 0.01 -0.74 -5.03 113.70 108.76 2dn6 s SER 109 Ca -0.10 -1.82 -0.21 0.00 1.31 0.00 0.00 55.95 55.14 2dn6 s SER 109 Cb 0.07 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.29 2dn6 s SER 109 CO 0.46 -0.68 0.66 -0.55 0.41 0.00 0.00 173.24 173.53 2dn6 s SER 110 N 2.67 6.37 0.04 2.44 0.15 -1.25 -4.88 113.70 119.26 2dn6 s SER 110 Ca 0.05 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2dn6 s SER 110 Cb -0.26 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2dn6 s SER 110 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.34 2dn6 n GLY 111 N 4.88 -2.64 0.00 9.45 0.00 -1.26 -4.45 105.19 111.17 2dn6 n GLY 111 Ca -0.01 -1.42 0.07 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.19 0.29 -3.58 1.61 -0.04 -1.26 -4.73 135.00 125.10 2dn6 n PRO 112 Ca -0.01 0.10 -0.35 0.00 -0.04 0.00 0.00 63.50 63.21 2dn6 n PRO 112 Cb 0.05 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 2dn6 n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dn6 s SER 113 N -2.40 6.64 0.50 3.54 0.01 -1.26 -5.07 113.70 115.66 2dn6 s SER 113 Ca 0.17 0.78 -0.22 0.00 1.31 0.00 0.00 55.95 57.99 2dn6 s SER 113 Cb 0.10 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 64.09 2dn6 s SER 113 CO 0.21 0.18 1.20 -0.44 0.41 0.00 0.00 173.24 174.80 2dn6 s SER 114 N -1.74 5.86 0.00 2.44 0.01 -1.26 -4.77 113.70 114.24 2dn6 s SER 114 Ca 0.33 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.96 2dn6 s SER 114 Cb -0.14 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2dn6 s SER 114 CO 0.18 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.30