#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 4.05 0.36 1.61 1.04 -1.26 -5.16 113.70 114.34 2dn6 s SER 2 Ca 0.00 -1.59 0.08 0.00 0.48 0.00 0.00 55.95 54.92 2dn6 s SER 2 Cb 0.00 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2dn6 s SER 2 CO 0.00 -0.76 0.25 -0.44 0.98 0.00 0.00 173.24 173.27 2dn6 s SER 3 N -3.83 4.96 -0.10 7.02 0.01 -1.26 -5.13 113.70 115.37 2dn6 s SER 3 Ca 0.13 -0.69 -0.01 0.00 1.31 0.00 0.00 55.95 56.69 2dn6 s SER 3 Cb 0.04 -0.77 0.03 0.00 0.21 0.00 0.00 66.02 65.52 2dn6 s SER 3 CO 0.07 -0.41 -0.03 -0.83 0.41 0.00 0.00 173.24 172.46 2dn6 s GLY 4 N -3.96 0.63 0.32 3.44 0.00 -1.26 -5.13 107.32 101.37 2dn6 s GLY 4 Ca 0.41 -0.34 -0.09 0.00 0.00 0.00 0.00 44.72 44.71 2dn6 s GLY 4 CO 0.25 1.03 0.54 -1.35 0.00 0.00 0.00 173.10 173.58 2dn6 s SER 5 N 1.86 0.40 -0.04 1.64 1.04 -1.26 -5.17 113.70 112.17 2dn6 s SER 5 Ca 0.04 -1.23 0.06 0.00 0.48 0.00 0.00 55.95 55.30 2dn6 s SER 5 Cb -0.13 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.65 2dn6 s SER 5 CO -0.07 -1.33 -0.20 -0.55 0.98 0.00 0.00 173.24 172.07 2dn6 s SER 6 N -3.13 3.56 0.00 7.02 0.15 -1.26 -5.02 113.70 115.02 2dn6 s SER 6 Ca 0.25 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.57 2dn6 s SER 6 Cb -0.02 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2dn6 s SER 6 CO 0.15 0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2dn6 n GLY 7 N 2.39 0.39 2.55 9.45 0.00 -1.26 -5.08 105.19 113.61 2dn6 n GLY 7 Ca -0.17 -1.30 -0.45 0.00 0.00 0.00 0.00 46.02 44.11 2dn6 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dn6 n VAL 8 N 0.00 0.00 -0.07 1.61 3.14 -1.26 -4.47 118.33 117.28 2dn6 n VAL 8 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 2dn6 n VAL 8 Cb 0.00 -0.18 -0.13 0.00 -1.06 0.00 0.00 33.84 32.48 2dn6 n VAL 8 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2dn6 h LEU 9 N 2.82 0.07 -8.82 6.55 3.38 -1.02 -3.48 115.31 114.80 2dn6 h LEU 9 Ca -0.33 -0.80 -0.51 0.00 0.09 0.00 0.00 57.88 56.33 2dn6 h LEU 9 Cb 0.98 -0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.54 2dn6 h LEU 9 CO 0.57 1.27 -0.77 -0.75 0.09 0.00 0.00 178.44 178.85 2dn6 s LYS 10 N -2.31 1.27 -0.26 1.13 2.20 -1.21 -5.02 119.74 115.54 2dn6 s LYS 10 Ca -0.22 -1.42 -0.18 0.00 -0.36 0.00 0.00 55.97 53.78 2dn6 s LYS 10 Cb 0.01 -1.28 0.07 0.00 -1.51 0.00 0.00 37.83 35.12 2dn6 s LYS 10 CO 0.67 0.25 0.65 1.14 -0.36 0.00 0.00 175.35 177.70 2dn6 s GLN 11 N -2.89 0.70 0.00 4.03 -2.07 -1.26 -1.92 119.66 116.25 2dn6 s GLN 11 Ca 0.16 1.05 0.00 0.00 -1.82 0.00 0.00 55.36 54.76 2dn6 s GLN 11 Cb -0.05 0.22 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 2dn6 s GLN 11 CO 0.06 -0.13 0.00 0.41 -1.32 0.00 0.00 175.29 174.32 2dn6 n GLY 12 N 3.64 0.96 3.56 2.60 0.00 -1.22 -5.01 105.19 109.72 2dn6 n GLY 12 Ca -0.18 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2dn6 n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dn6 s TYR 13 N -2.00 1.66 0.04 1.61 2.02 -1.26 -2.69 117.35 116.73 2dn6 s TYR 13 Ca 0.00 0.81 0.04 0.00 -0.37 0.00 0.00 57.07 57.55 2dn6 s TYR 13 Cb 0.00 -4.07 -0.04 0.00 -0.40 0.00 0.00 41.96 37.45 2dn6 s TYR 13 CO 0.00 -2.40 -0.05 -1.64 -1.57 0.00 0.00 175.55 169.88 2dn6 s MET 14 N 6.87 2.50 -0.40 -0.62 -1.94 -0.35 -4.75 119.30 120.61 2dn6 s MET 14 Ca 0.71 -0.78 -0.19 0.00 -1.71 0.00 0.00 55.69 53.71 2dn6 s MET 14 Cb -0.14 -2.49 0.01 0.00 2.01 0.00 0.00 34.83 34.22 2dn6 s MET 14 CO 0.23 0.58 0.57 -1.64 -0.01 0.00 0.00 175.02 174.75 2dn6 s MET 15 N -1.73 3.38 -0.28 2.03 1.00 -1.20 -0.32 119.30 122.19 2dn6 s MET 15 Ca 0.20 -0.33 -0.12 0.00 0.00 0.00 0.00 55.69 55.44 2dn6 s MET 15 Cb -0.11 -3.90 -0.05 0.00 0.00 0.00 0.00 34.83 30.77 2dn6 s MET 15 CO 0.11 -0.86 0.22 0.21 0.00 0.00 0.00 175.02 174.70 2dn6 s LYS 16 N 2.58 3.96 0.04 2.03 2.20 -1.00 0.56 119.74 130.11 2dn6 s LYS 16 Ca 0.20 -0.26 -0.26 0.00 -0.36 0.00 0.00 55.97 55.29 2dn6 s LYS 16 Cb -0.15 -3.66 -0.13 0.00 -1.51 0.00 0.00 37.83 32.38 2dn6 s LYS 16 CO 0.16 -0.19 0.65 1.17 -0.36 0.00 0.00 175.35 176.78 2dn6 n LYS 17 N 5.08 0.00 -1.72 4.03 3.00 0.10 -4.02 118.16 124.63 2dn6 n LYS 17 Ca -0.13 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.78 2dn6 n LYS 17 Cb 0.52 -0.95 0.02 0.00 0.00 0.00 0.00 35.03 34.61 2dn6 n LYS 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dn6 n GLY 18 N 1.14 0.63 3.58 3.14 0.00 0.59 -4.85 105.19 109.42 2dn6 n GLY 18 Ca 0.14 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 2dn6 n GLY 18 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2dn6 s HIS 19 N -1.23 1.44 -1.32 1.61 -3.43 -1.26 -2.31 115.29 108.78 2dn6 s HIS 19 Ca 0.64 0.88 -0.07 0.00 -0.80 0.00 0.00 55.06 55.71 2dn6 s HIS 19 Cb -0.48 -3.93 0.01 0.00 -1.43 0.00 0.00 32.58 26.75 2dn6 s HIS 19 CO 0.56 -2.99 0.88 0.54 -2.00 0.00 0.00 174.74 171.73 2dn6 n ARG 20 N 8.81 -6.22 -3.86 -0.38 1.74 -1.26 -5.00 116.66 110.49 2dn6 n ARG 20 Ca 0.28 0.79 -0.11 0.00 -0.77 0.00 0.00 57.85 58.03 2dn6 n ARG 20 Cb 0.49 -5.59 -0.10 0.00 -1.02 0.00 0.00 32.46 26.24 2dn6 n ARG 20 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2dn6 s ARG 21 N -5.97 0.42 -0.26 5.56 6.06 -0.98 -5.04 118.95 118.74 2dn6 s ARG 21 Ca 0.44 -0.24 -0.02 0.00 -2.50 0.00 0.00 55.73 53.41 2dn6 s ARG 21 Cb -0.19 0.18 0.11 0.00 0.06 0.00 0.00 34.95 35.11 2dn6 s ARG 21 CO 0.54 -0.09 2.25 1.63 -2.50 0.00 0.00 175.30 177.13 2dn6 n LYS 22 N 1.83 1.76 -4.35 5.12 5.02 -1.26 -4.03 118.16 122.26 2dn6 n LYS 22 Ca -0.20 -1.36 -0.19 0.00 -2.02 0.00 0.00 58.31 54.54 2dn6 n LYS 22 Cb 0.56 -1.61 -0.09 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.68 1.60 0.16 4.39 -0.87 -1.26 -5.03 114.94 114.60 2dn6 s ASN 23 Ca 0.32 -1.52 0.06 0.00 -1.57 0.00 0.00 52.86 50.15 2dn6 s ASN 23 Cb 0.23 0.33 -0.04 0.00 -0.02 0.00 0.00 41.25 41.74 2dn6 s ASN 23 CO -0.04 -0.85 -0.12 0.26 -2.57 0.00 0.00 177.10 173.78 2dn6 s TRP 24 N -3.59 1.42 -0.19 2.20 0.52 -1.26 -0.30 118.94 117.74 2dn6 s TRP 24 Ca 0.35 -0.66 -0.13 0.00 0.02 0.00 0.00 56.10 55.68 2dn6 s TRP 24 Cb 0.05 -0.71 0.06 0.00 -1.15 0.00 0.00 33.47 31.73 2dn6 s TRP 24 CO 0.16 0.18 0.49 0.95 0.02 0.00 0.00 176.95 178.75 2dn6 s THR 25 N -2.96 -0.01 0.44 2.01 -4.23 -1.26 -4.90 115.64 104.74 2dn6 s THR 25 Ca 0.17 0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.48 2dn6 s THR 25 Cb -0.00 -0.71 -0.08 0.00 1.34 0.00 0.00 72.50 73.06 2dn6 s THR 25 CO 0.03 0.02 1.24 -0.70 -0.54 0.00 0.00 174.62 174.66 2dn6 s GLU 26 N 1.00 3.79 -0.28 3.99 -6.30 -1.26 -2.37 118.70 117.27 2dn6 s GLU 26 Ca -0.06 1.97 -0.23 0.00 -2.50 0.00 0.00 54.97 54.15 2dn6 s GLU 26 Cb -0.06 -2.55 0.09 0.00 0.00 0.00 0.00 34.13 31.61 2dn6 s GLU 26 CO -0.09 -0.58 0.82 1.03 0.02 0.00 0.00 175.26 176.47 2dn6 s ARG 27 N -2.50 0.69 0.01 4.30 0.52 0.57 -4.93 118.95 117.61 2dn6 s ARG 27 Ca 0.61 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 56.42 2dn6 s ARG 27 Cb -0.34 0.30 -0.07 0.00 0.52 0.00 0.00 34.95 35.36 2dn6 s ARG 27 CO 0.42 -0.09 1.64 -0.46 0.02 0.00 0.00 175.30 176.82 2dn6 s TRP 28 N 0.59 2.24 -0.21 -0.53 -0.11 -1.12 -1.21 118.94 118.60 2dn6 s TRP 28 Ca -0.01 0.29 -0.02 0.00 1.22 0.00 0.00 56.10 57.58 2dn6 s TRP 28 Cb -0.05 -3.92 -0.00 0.00 -1.50 0.00 0.00 33.47 28.00 2dn6 s TRP 28 CO -0.05 -3.77 -0.09 -0.06 -4.62 0.00 0.00 176.95 168.36 2dn6 s PHE 29 N 3.25 2.91 -0.47 5.86 0.40 -1.09 -0.65 117.98 128.18 2dn6 s PHE 29 Ca 0.73 -1.12 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 2dn6 s PHE 29 Cb -0.36 -2.05 0.10 0.00 0.51 0.00 0.00 43.02 41.22 2dn6 s PHE 29 CO 0.31 -0.61 0.35 0.08 0.70 0.00 0.00 175.22 176.05 2dn6 s VAL 30 N 1.41 4.53 -0.73 -0.44 1.01 0.22 -3.39 120.40 123.01 2dn6 s VAL 30 Ca 0.05 -1.53 -0.26 0.00 0.00 0.00 0.00 61.98 60.24 2dn6 s VAL 30 Cb -0.14 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2dn6 s VAL 30 CO -0.06 -0.69 1.24 -0.22 0.00 0.00 0.00 175.10 175.37 2dn6 s LEU 31 N 1.46 3.34 0.65 3.92 2.96 -0.81 -1.47 118.68 128.73 2dn6 s LEU 31 Ca 0.04 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 2dn6 s LEU 31 Cb -0.26 -2.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.89 2dn6 s LEU 31 CO 0.02 -1.78 1.03 -0.54 -1.32 0.00 0.00 176.35 173.76 2dn6 s LYS 32 N 5.49 3.08 0.47 1.98 -0.14 0.17 -0.37 119.74 130.43 2dn6 s LYS 32 Ca 0.33 0.43 0.26 0.00 -1.36 0.00 0.00 55.97 55.63 2dn6 s LYS 32 Cb -0.09 -2.10 1.09 0.00 -1.68 0.00 0.00 37.83 35.05 2dn6 s LYS 32 CO 0.14 -0.82 1.90 -1.00 -0.76 0.00 0.00 175.35 174.81 2dn6 h PRO 33 N -0.44 0.00 0.00 -1.68 0.13 -1.95 -3.22 132.00 124.84 2dn6 h PRO 33 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 2dn6 h PRO 33 Cb 1.24 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 2dn6 h PRO 33 CO 0.63 0.19 -0.55 0.09 -0.23 0.00 0.00 178.00 178.13 2dn6 n ASN 34 N -3.43 0.81 -3.91 1.44 4.13 -1.26 -4.84 115.26 108.21 2dn6 n ASN 34 Ca -0.00 -2.36 0.04 0.00 1.68 0.00 0.00 54.58 53.94 2dn6 n ASN 34 Cb 0.37 -0.29 0.01 0.00 -1.54 0.00 0.00 39.78 38.33 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 -0.79 0.00 -0.26 2.41 2.07 -1.22 -4.15 121.20 119.27 2dn6 s ILE 35 Ca 0.18 -0.05 -0.02 0.00 -1.41 0.00 0.00 60.65 59.35 2dn6 s ILE 35 Cb 0.18 -2.83 0.13 0.00 0.13 0.00 0.00 42.46 40.07 2dn6 s ILE 35 CO -0.04 0.00 0.32 -0.63 -1.91 0.00 0.00 174.94 172.67 2dn6 s ILE 36 N -2.02 -0.47 -0.02 2.00 1.01 -1.16 0.46 121.20 120.99 2dn6 s ILE 36 Ca 0.29 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.72 2dn6 s ILE 36 Cb 0.01 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 2dn6 s ILE 36 CO -0.03 -0.29 -0.15 -0.44 0.00 0.00 0.00 174.94 174.03 2dn6 s SER 37 N 2.43 3.98 -0.13 3.58 0.01 -0.54 -1.26 113.70 121.76 2dn6 s SER 37 Ca 0.10 -0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.13 2dn6 s SER 37 Cb -0.15 -0.79 0.01 0.00 0.21 0.00 0.00 66.02 65.31 2dn6 s SER 37 CO -0.23 0.32 -0.22 -0.72 0.41 0.00 0.00 173.24 172.80 2dn6 s TYR 38 N -0.79 2.59 -0.24 2.43 1.13 -1.25 0.73 117.35 121.95 2dn6 s TYR 38 Ca 0.13 -1.28 -0.09 0.00 -1.41 0.00 0.00 57.07 54.42 2dn6 s TYR 38 Cb -0.11 -1.77 -0.04 0.00 -1.10 0.00 0.00 41.96 38.95 2dn6 s TYR 38 CO 0.02 -0.58 0.11 0.71 -2.51 0.00 0.00 175.55 173.30 2dn6 s TYR 39 N 0.78 3.17 0.30 -3.49 1.51 0.17 -2.67 117.35 117.13 2dn6 s TYR 39 Ca -0.08 -0.12 0.24 0.00 -1.01 0.00 0.00 57.07 56.10 2dn6 s TYR 39 Cb -0.16 -2.25 1.01 0.00 -0.11 0.00 0.00 41.96 40.45 2dn6 s TYR 39 CO -0.01 -0.17 1.02 1.33 -1.11 0.00 0.00 175.55 176.61 2dn6 n VAL 40 N 4.64 -0.13 -4.53 0.71 0.24 -1.09 -2.79 118.33 115.38 2dn6 n VAL 40 Ca -0.16 1.14 -0.28 0.00 -2.04 0.00 0.00 64.34 63.00 2dn6 n VAL 40 Cb 0.52 -1.87 -0.09 0.00 -1.47 0.00 0.00 33.84 30.93 2dn6 n VAL 40 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2dn6 s SER 41 N -4.28 4.06 -0.38 -1.34 1.04 -1.26 -4.19 113.70 107.33 2dn6 s SER 41 Ca -0.04 -1.37 0.03 0.00 0.48 0.00 0.00 55.95 55.05 2dn6 s SER 41 Cb 0.20 -0.21 0.54 0.00 0.10 0.00 0.00 66.02 66.65 2dn6 s SER 41 CO 0.55 -0.57 1.78 -1.84 0.98 0.00 0.00 173.24 174.14 2dn6 n GLU 42 N -1.10 2.06 0.00 4.02 0.28 -1.26 -3.98 120.64 120.66 2dn6 n GLU 42 Ca -0.07 -2.51 0.03 0.00 -0.16 0.00 0.00 57.16 54.45 2dn6 n GLU 42 Cb 0.66 -1.98 -0.02 0.00 1.43 0.00 0.00 31.44 31.53 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 -0.84 0.65 -2.54 -1.84 8.00 -1.26 -5.00 116.55 113.72 2dn6 n ASP 43 Ca 0.50 -0.83 -0.19 0.00 0.71 0.00 0.00 54.79 54.98 2dn6 n ASP 43 Cb 1.42 0.73 0.03 0.00 -0.02 0.00 0.00 41.12 43.28 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 -0.74 -2.45 -0.13 0.64 4.77 -1.26 -4.91 117.00 112.92 2dn6 n LEU 44 Ca 0.02 -0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.54 2dn6 n LEU 44 Cb 0.12 -2.62 -0.11 0.00 -2.33 0.00 0.00 43.42 38.48 2dn6 n LEU 44 CO 0.11 0.16 -1.39 0.29 -1.33 0.00 0.00 177.39 175.23 2dn6 n LYS 45 N -3.47 0.62 -3.79 3.23 4.76 -1.26 -4.91 118.16 113.34 2dn6 n LYS 45 Ca -0.11 0.21 -0.36 0.00 -2.87 0.00 0.00 58.31 55.18 2dn6 n LYS 45 Cb 0.61 -1.51 -0.13 0.00 -1.84 0.00 0.00 35.03 32.16 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 -7.04 4.92 0.01 4.39 1.11 -1.26 -5.10 116.67 113.71 2dn6 s ASP 46 Ca -0.37 -0.32 -0.01 0.00 0.18 0.00 0.00 52.55 52.03 2dn6 s ASP 46 Cb 0.12 -1.87 -0.04 0.00 1.07 0.00 0.00 42.92 42.20 2dn6 s ASP 46 CO 0.55 -0.05 0.12 -0.75 1.18 0.00 0.00 175.17 176.21 2dn6 s LYS 47 N 1.57 3.18 -0.21 8.23 2.20 -1.26 -2.68 119.74 130.77 2dn6 s LYS 47 Ca 0.06 -0.46 -0.05 0.00 -0.36 0.00 0.00 55.97 55.16 2dn6 s LYS 47 Cb -0.15 -2.93 -0.11 0.00 -1.51 0.00 0.00 37.83 33.13 2dn6 s LYS 47 CO 0.02 0.64 -0.23 1.63 -0.36 0.00 0.00 175.35 177.05 2dn6 n LYS 48 N 0.93 0.49 -3.45 4.03 4.76 -1.09 -4.92 118.16 118.91 2dn6 n LYS 48 Ca -0.11 0.16 0.01 0.00 -2.87 0.00 0.00 58.31 55.50 2dn6 n LYS 48 Cb 0.52 -1.34 0.01 0.00 -1.84 0.00 0.00 35.03 32.38 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 2.07 0.43 2.84 0.72 0.00 -1.26 -5.07 105.19 104.92 2dn6 n GLY 49 Ca -0.40 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.10 0.53 -0.70 1.61 1.01 -1.26 -3.78 116.67 110.98 2dn6 s ASP 50 Ca 0.22 -0.05 -0.17 0.00 0.71 0.00 0.00 52.55 53.26 2dn6 s ASP 50 Cb -0.01 -0.27 0.15 0.00 1.01 0.00 0.00 42.92 43.79 2dn6 s ASP 50 CO 0.01 -0.09 0.74 -0.63 0.21 0.00 0.00 175.17 175.41 2dn6 s ILE 51 N 0.96 5.12 -0.42 0.77 1.01 -0.39 -4.93 121.20 123.32 2dn6 s ILE 51 Ca -0.10 -1.61 -0.29 0.00 0.00 0.00 0.00 60.65 58.64 2dn6 s ILE 51 Cb -0.14 -4.50 -0.08 0.00 0.01 0.00 0.00 42.46 37.75 2dn6 s ILE 51 CO -0.01 -1.10 2.34 0.18 0.00 0.00 0.00 174.94 176.35 2dn6 n LEU 52 N 5.45 2.41 -4.76 2.97 4.77 -1.26 -3.01 117.00 123.57 2dn6 n LEU 52 Ca 0.01 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.51 2dn6 n LEU 52 Cb 0.44 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 2dn6 n LEU 52 CO 0.49 -1.09 0.88 -0.76 -1.33 0.00 0.00 177.39 175.59 2dn6 s LEU 53 N 9.92 4.49 -0.04 2.23 1.43 -1.26 -4.94 118.68 130.50 2dn6 s LEU 53 Ca 1.04 2.43 -0.28 0.00 -1.03 0.00 0.00 54.13 56.29 2dn6 s LEU 53 Cb -0.43 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.22 2dn6 s LEU 53 CO 0.35 -0.34 0.61 -0.62 0.23 0.00 0.00 176.35 176.58 2dn6 s ASP 54 N -0.53 -0.57 0.22 2.29 2.15 -1.26 -4.91 116.67 114.05 2dn6 s ASP 54 Ca 0.48 0.60 0.03 0.00 0.43 0.00 0.00 52.55 54.08 2dn6 s ASP 54 Cb -0.35 0.50 0.56 0.00 -0.30 0.00 0.00 42.92 43.33 2dn6 s ASP 54 CO 0.45 -0.58 1.07 -1.84 -0.17 0.00 0.00 175.17 174.10 2dn6 n GLU 55 N 0.98 -0.05 0.14 4.34 0.28 -1.26 0.12 120.64 125.18 2dn6 n GLU 55 Ca -0.19 1.01 -0.13 0.00 -0.16 0.00 0.00 57.16 57.69 2dn6 n GLU 55 Cb 0.57 -1.63 -0.06 0.00 1.43 0.00 0.00 31.44 31.74 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 -0.84 -2.82 -1.84 2.35 -1.95 -3.43 115.58 107.05 2dn6 h ASN 56 Ca 0.43 0.09 -0.59 0.00 -0.55 0.00 0.00 56.30 55.68 2dn6 h ASN 56 Cb 0.93 0.31 0.12 0.00 0.05 0.00 0.00 38.32 39.72 2dn6 h ASN 56 CO -0.63 -0.40 0.23 0.00 -1.65 0.00 0.00 177.43 174.98 2dn6 s VAL 59 N -3.97 2.13 -0.03 0.00 0.11 -1.26 -0.70 120.40 116.68 2dn6 s VAL 59 Ca 0.17 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 2dn6 s VAL 59 Cb -0.03 -1.75 0.01 0.00 -1.53 0.00 0.00 36.38 33.08 2dn6 s VAL 59 CO 0.08 0.56 -0.08 -1.83 -3.33 0.00 0.00 175.10 170.49 2dn6 s GLU 60 N -0.69 0.90 0.14 1.54 -1.05 -0.36 -4.97 118.70 114.20 2dn6 s GLU 60 Ca 0.10 -0.25 -0.30 0.00 -0.15 0.00 0.00 54.97 54.37 2dn6 s GLU 60 Cb -0.10 -0.85 -0.07 0.00 -0.44 0.00 0.00 34.13 32.67 2dn6 s GLU 60 CO -0.01 0.07 1.01 -1.12 0.95 0.00 0.00 175.26 176.17 2dn6 s SER 61 N 0.32 7.43 0.09 0.83 0.01 -1.26 -1.59 113.70 119.52 2dn6 s SER 61 Ca -0.05 1.91 0.05 0.00 1.31 0.00 0.00 55.95 59.17 2dn6 s SER 61 Cb -0.09 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2dn6 s SER 61 CO 0.00 -0.11 -0.03 -0.76 0.41 0.00 0.00 173.24 172.76 2dn6 s LEU 62 N -0.19 3.36 0.00 2.44 1.43 -1.08 -4.92 118.68 119.72 2dn6 s LEU 62 Ca 0.47 -0.22 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 2dn6 s LEU 62 Cb -0.26 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 43.93 2dn6 s LEU 62 CO 0.32 0.18 0.23 -0.81 0.23 0.00 0.00 176.35 176.50 2dn6 n PRO 63 N 0.67 -1.46 -2.91 1.29 -0.04 -1.26 -3.95 135.00 127.34 2dn6 n PRO 63 Ca -0.12 -0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 62.57 2dn6 n PRO 63 Cb 0.52 -0.34 -0.04 0.00 -0.04 0.00 0.00 33.50 33.60 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 -2.12 6.86 0.02 3.54 1.47 -1.26 -4.62 116.67 120.56 2dn6 s ASP 64 Ca 0.15 1.06 0.01 0.00 1.18 0.00 0.00 52.55 54.95 2dn6 s ASP 64 Cb -0.01 -2.44 -0.02 0.00 -0.34 0.00 0.00 42.92 40.11 2dn6 s ASP 64 CO 0.11 -0.46 -0.05 -1.59 0.68 0.00 0.00 175.17 173.87 2dn6 s LYS 65 N 2.56 0.36 -1.46 2.11 -2.85 -1.26 -4.82 119.74 114.38 2dn6 s LYS 65 Ca 0.35 -0.54 -0.11 0.00 -1.00 0.00 0.00 55.97 54.67 2dn6 s LYS 65 Cb -0.16 -0.11 0.08 0.00 -2.06 0.00 0.00 37.83 35.58 2dn6 s LYS 65 CO 0.09 0.01 0.75 -3.47 0.10 0.00 0.00 175.35 172.83 2dn6 n ASP 66 N 1.89 -4.52 -2.61 0.03 2.03 -1.26 -1.34 116.55 110.77 2dn6 n ASP 66 Ca -0.21 -0.59 -0.14 0.00 0.52 0.00 0.00 54.79 54.37 2dn6 n ASP 66 Cb 0.56 -3.66 0.06 0.00 -0.72 0.00 0.00 41.12 37.36 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 -1.47 -0.08 3.76 0.27 0.00 -1.26 -5.04 105.19 101.38 2dn6 n GLY 67 Ca 0.01 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.47 2.21 -0.13 1.61 -0.14 -0.45 -5.16 119.74 112.22 2dn6 s LYS 68 Ca 0.22 -1.97 -0.24 0.00 -1.36 0.00 0.00 55.97 52.63 2dn6 s LYS 68 Cb -0.10 -1.91 0.06 0.00 -1.68 0.00 0.00 37.83 34.20 2dn6 s LYS 68 CO 0.49 -0.22 0.59 -1.59 -0.76 0.00 0.00 175.35 173.86 2dn6 s LYS 69 N -3.95 0.83 -1.32 1.68 0.00 -1.26 -4.18 119.74 111.54 2dn6 s LYS 69 Ca 0.35 0.47 -0.05 0.00 0.00 0.00 0.00 55.97 56.74 2dn6 s LYS 69 Cb 0.03 0.39 0.02 0.00 0.00 0.00 0.00 37.83 38.27 2dn6 s LYS 69 CO 0.19 -0.19 0.99 0.00 0.00 0.00 0.00 175.35 176.35 2dn6 s LEU 71 N -6.86 3.50 -0.28 0.00 1.43 -1.25 -3.29 118.68 111.92 2dn6 s LEU 71 Ca 0.29 1.00 -0.19 0.00 -1.03 0.00 0.00 54.13 54.19 2dn6 s LEU 71 Cb -0.13 -3.96 0.09 0.00 0.03 0.00 0.00 46.19 42.22 2dn6 s LEU 71 CO 0.76 -0.69 0.77 0.72 0.23 0.00 0.00 176.35 178.14 2dn6 s PHE 72 N -2.86 -0.87 0.02 0.29 -0.12 -1.11 -2.63 117.98 110.71 2dn6 s PHE 72 Ca 0.50 1.85 0.08 0.00 -0.05 0.00 0.00 56.93 59.31 2dn6 s PHE 72 Cb -0.10 0.47 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 2dn6 s PHE 72 CO 0.47 -0.43 -0.23 -1.17 -0.05 0.00 0.00 175.22 173.81 2dn6 s LEU 73 N 1.12 2.12 -0.19 -1.99 0.20 -0.62 -2.21 118.68 117.11 2dn6 s LEU 73 Ca -0.06 -0.50 -0.07 0.00 0.69 0.00 0.00 54.13 54.19 2dn6 s LEU 73 Cb -0.05 -1.14 -0.04 0.00 -0.43 0.00 0.00 46.19 44.53 2dn6 s LEU 73 CO -0.12 0.24 0.04 -0.69 -0.29 0.00 0.00 176.35 175.53 2dn6 s VAL 74 N -0.70 4.55 -0.13 1.68 1.01 0.98 -1.23 120.40 126.56 2dn6 s VAL 74 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 2dn6 s VAL 74 Cb -0.09 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2dn6 s VAL 74 CO 0.01 0.45 -0.04 -0.75 0.00 0.00 0.00 175.10 174.77 2dn6 s LYS 75 N 0.55 3.45 0.45 2.72 2.20 0.12 -1.49 119.74 127.75 2dn6 s LYS 75 Ca 0.02 -0.51 0.03 0.00 -0.36 0.00 0.00 55.97 55.15 2dn6 s LYS 75 Cb -0.13 -2.85 -0.03 0.00 -1.51 0.00 0.00 37.83 33.31 2dn6 s LYS 75 CO 0.01 0.37 0.04 0.00 -0.36 0.00 0.00 175.35 175.42 2dn6 n PHE 77 N -1.08 0.00 0.00 0.00 3.72 -1.26 -4.00 117.46 114.84 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 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -2.32 4.02 -4.84 4.37 8.00 -1.26 -5.06 116.55 119.46 2dn6 n ASP 78 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 2dn6 n ASP 78 Cb 0.00 0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 41.49 2dn6 n ASP 78 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dn6 s LYS 79 N -1.79 4.02 0.07 -1.24 3.01 -1.26 -5.09 119.74 117.47 2dn6 s LYS 79 Ca 0.00 0.83 0.03 0.00 -1.01 0.00 0.00 55.97 55.83 2dn6 s LYS 79 Cb 0.00 -2.28 -0.03 0.00 -1.01 0.00 0.00 37.83 34.51 2dn6 s LYS 79 CO 0.00 -0.03 -0.09 0.95 0.51 0.00 0.00 175.35 176.68 2dn6 s THR 80 N -2.26 0.78 -0.09 2.17 -4.23 -1.26 -1.51 115.64 109.23 2dn6 s THR 80 Ca 0.57 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.65 2dn6 s THR 80 Cb -0.10 -1.05 0.05 0.00 1.34 0.00 0.00 72.50 72.75 2dn6 s THR 80 CO 0.22 -0.47 0.19 -0.36 -0.54 0.00 0.00 174.62 173.66 2dn6 s PHE 81 N -1.96 -0.24 -0.23 3.99 0.40 -0.55 -5.02 117.98 114.37 2dn6 s PHE 81 Ca -0.01 0.69 -0.06 0.00 -0.60 0.00 0.00 56.93 56.94 2dn6 s PHE 81 Cb -0.06 -0.16 -0.03 0.00 0.51 0.00 0.00 43.02 43.28 2dn6 s PHE 81 CO -0.00 -0.27 0.04 -2.00 0.70 0.00 0.00 175.22 173.69 2dn6 s GLU 82 N 2.07 3.65 0.07 0.44 2.12 -1.26 -0.02 118.70 125.78 2dn6 s GLU 82 Ca -0.00 -0.49 0.07 0.00 0.36 0.00 0.00 54.97 54.91 2dn6 s GLU 82 Cb -0.12 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 2dn6 s GLU 82 CO -0.07 -0.10 -0.19 0.42 -0.54 0.00 0.00 175.26 174.79 2dn6 s ILE 83 N 1.34 1.53 -0.13 -3.70 1.01 -0.94 -0.73 121.20 119.58 2dn6 s ILE 83 Ca 0.05 -1.34 0.01 0.00 0.00 0.00 0.00 60.65 59.37 2dn6 s ILE 83 Cb -0.15 -1.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 2dn6 s ILE 83 CO 0.02 -0.00 -0.15 -0.55 0.00 0.00 0.00 174.94 174.26 2dn6 s SER 84 N -1.57 3.81 0.43 3.58 0.15 0.19 -2.73 113.70 117.55 2dn6 s SER 84 Ca 0.05 -0.39 -0.11 0.00 0.70 0.00 0.00 55.95 56.20 2dn6 s SER 84 Cb -0.09 -1.57 -0.06 0.00 -1.71 0.00 0.00 66.02 62.58 2dn6 s SER 84 CO 0.03 0.15 0.81 0.00 1.20 0.00 0.00 173.24 175.42 2dn6 s ALA 85 N 0.45 3.31 -0.15 5.45 0.00 -1.21 -3.26 121.76 126.35 2dn6 s ALA 85 Ca -0.11 -0.16 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 2dn6 s ALA 85 Cb -0.16 -2.76 -0.15 0.00 0.00 0.00 0.00 23.12 20.04 2dn6 s ALA 85 CO 0.05 -0.07 0.31 0.77 0.00 0.00 0.00 175.76 176.82 2dn6 h SER 86 N 1.13 0.00 -4.08 0.00 0.02 -1.90 -3.46 113.55 105.27 2dn6 h SER 86 Ca -0.47 -0.50 -0.45 0.00 -0.84 0.00 0.00 61.79 59.53 2dn6 h SER 86 Cb 1.19 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.54 2dn6 h SER 86 CO 0.63 0.99 -0.77 -0.62 -1.14 0.00 0.00 176.83 175.92 2dn6 s ASP 87 N -6.18 2.10 0.35 3.07 2.15 -1.26 -5.02 116.67 111.88 2dn6 s ASP 87 Ca -0.17 -0.77 0.17 0.00 0.43 0.00 0.00 52.55 52.21 2dn6 s ASP 87 Cb 0.01 -0.09 1.18 0.00 -0.30 0.00 0.00 42.92 43.73 2dn6 s ASP 87 CO 0.45 -0.09 1.63 0.50 -0.17 0.00 0.00 175.17 177.49 2dn6 h LYS 88 N 3.69 0.20 0.39 4.34 3.64 -1.93 0.71 116.57 127.61 2dn6 h LYS 88 Ca -0.41 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2dn6 h LYS 88 Cb 1.19 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2dn6 h LYS 88 CO 0.47 0.13 -0.47 -0.22 -2.27 0.00 0.00 179.45 177.10 2dn6 h LYS 89 N 0.21 -0.86 0.16 1.90 3.64 -1.99 -1.51 116.57 118.11 2dn6 h LYS 89 Ca 0.78 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 60.22 2dn6 h LYS 89 Cb 1.88 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.89 2dn6 h LYS 89 CO -0.66 -0.58 -0.12 0.87 -2.27 0.00 0.00 179.45 176.69 2dn6 h LYS 90 N -0.90 -0.28 -0.80 1.90 1.57 -1.33 -0.70 116.57 116.03 2dn6 h LYS 90 Ca -0.04 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 2dn6 h LYS 90 Cb 0.81 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 33.05 2dn6 h LYS 90 CO -0.11 -0.19 -0.43 -0.22 -0.57 0.00 0.00 179.45 177.93 2dn6 h LYS 91 N -0.30 -0.10 0.24 3.15 3.11 -1.04 0.34 116.57 121.97 2dn6 h LYS 91 Ca -0.01 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.83 2dn6 h LYS 91 Cb 0.26 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 2dn6 h LYS 91 CO -0.01 -0.07 -0.11 0.37 -2.81 0.00 0.00 179.45 176.82 2dn6 h GLN 92 N -0.10 -0.31 -0.85 1.90 5.75 -1.12 -1.99 115.11 118.39 2dn6 h GLN 92 Ca 0.24 0.02 0.25 0.00 -0.15 0.00 0.00 58.65 59.02 2dn6 h GLN 92 Cb 0.55 0.07 -0.16 0.00 1.07 0.00 0.00 27.48 29.01 2dn6 h GLN 92 CO -0.84 -0.21 0.08 0.39 -2.65 0.00 0.00 178.83 175.61 2dn6 n GLU 93 N -3.05 -0.07 0.25 1.69 1.02 -0.28 -0.10 120.64 120.10 2dn6 n GLU 93 Ca -0.04 1.26 -0.10 0.00 -0.02 0.00 0.00 57.16 58.26 2dn6 n GLU 93 Cb 0.13 -2.04 -0.05 0.00 -0.02 0.00 0.00 31.44 29.47 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 -0.58 -0.49 -0.32 4.06 -0.30 0.02 115.95 118.33 2dn6 h TRP 94 Ca 0.55 -0.01 0.10 0.00 2.06 0.00 0.00 58.89 61.58 2dn6 h TRP 94 Cb 1.19 0.19 -0.10 0.00 -1.00 0.00 0.00 29.16 29.44 2dn6 h TRP 94 CO -0.37 -0.36 -0.22 0.82 -3.56 0.00 0.00 178.44 174.75 2dn6 h ILE 95 N -0.68 0.35 -0.57 1.49 2.04 -0.16 0.11 117.51 120.09 2dn6 h ILE 95 Ca -0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2dn6 h ILE 95 Cb 0.48 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 2dn6 h ILE 95 CO 0.11 0.00 0.25 1.56 0.00 0.00 0.00 178.15 180.06 2dn6 h GLN 96 N -0.11 0.45 0.57 2.37 4.20 -0.53 0.25 115.11 122.30 2dn6 h GLN 96 Ca 0.23 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2dn6 h GLN 96 Cb 0.47 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.15 2dn6 h GLN 96 CO -0.56 0.29 -0.27 0.00 -0.67 0.00 0.00 178.83 177.62 2dn6 h ALA 97 N 1.35 -0.76 0.08 3.87 0.00 0.66 -1.24 119.26 123.22 2dn6 h ALA 97 Ca 0.27 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dn6 h ALA 97 Cb 0.26 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2dn6 h ALA 97 CO -0.24 -0.91 -0.16 0.82 0.00 0.00 0.00 179.25 178.76 2dn6 h ILE 98 N -0.80 0.63 -0.38 0.00 2.04 -0.59 0.23 117.51 118.65 2dn6 h ILE 98 Ca -0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.86 2dn6 h ILE 98 Cb 0.60 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 37.22 2dn6 h ILE 98 CO 0.13 0.00 -0.22 -0.74 0.00 0.00 0.00 178.15 177.32 2dn6 h HIS 99 N -0.31 -0.56 0.03 1.37 2.76 -0.49 -1.69 115.15 116.25 2dn6 h HIS 99 Ca 0.03 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2dn6 h HIS 99 Cb 0.33 0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.60 2dn6 h HIS 99 CO -0.17 -0.30 -0.02 1.03 -1.30 0.00 0.00 177.93 177.17 2dn6 h SER 100 N -0.15 -0.04 -1.08 3.26 0.87 -0.96 -1.54 113.55 113.90 2dn6 h SER 100 Ca 0.19 0.00 0.29 0.00 -1.23 0.00 0.00 61.79 61.05 2dn6 h SER 100 Cb 0.45 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.32 2dn6 h SER 100 CO -0.48 -0.03 0.69 0.74 -0.53 0.00 0.00 176.83 177.23 2dn6 h THR 101 N -0.04 0.45 -0.00 2.23 2.02 -0.22 0.05 112.91 117.39 2dn6 h THR 101 Ca -0.00 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.98 2dn6 h THR 101 Cb 0.03 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.52 2dn6 h THR 101 CO 0.00 0.06 -0.31 0.40 0.37 0.00 0.00 175.52 176.04 2dn6 h ILE 102 N 0.35 1.52 -0.92 3.11 2.04 -0.77 -3.29 117.51 119.55 2dn6 h ILE 102 Ca 0.64 -1.97 0.25 0.00 1.00 0.00 0.00 64.86 64.78 2dn6 h ILE 102 Cb 1.68 2.73 -0.14 0.00 -0.74 0.00 0.00 36.82 40.35 2dn6 h ILE 102 CO -0.34 0.54 0.37 -0.74 0.00 0.00 0.00 178.15 177.99 2dn6 h HIS 103 N -0.43 0.60 -0.60 1.37 2.76 -0.01 0.75 115.15 119.60 2dn6 h HIS 103 Ca -0.04 0.04 0.11 0.00 -2.20 0.00 0.00 60.37 58.29 2dn6 h HIS 103 Cb 1.06 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.87 2dn6 h HIS 103 CO 0.17 -0.15 0.41 -0.07 -1.30 0.00 0.00 177.93 177.00 2dn6 h LEU 104 N 0.30 0.32 -0.20 0.26 3.38 -1.48 -0.51 115.31 117.38 2dn6 h LEU 104 Ca 0.60 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 58.36 2dn6 h LEU 104 Cb 1.24 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2dn6 h LEU 104 CO -0.60 0.19 -0.93 -0.07 0.09 0.00 0.00 178.44 177.12 2dn6 h LEU 105 N 0.35 0.45 -1.05 1.67 3.38 0.39 -3.24 115.31 117.26 2dn6 h LEU 105 Ca 0.28 -0.36 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2dn6 h LEU 105 Cb 0.64 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 2dn6 h LEU 105 CO -0.07 1.16 0.63 0.11 0.09 0.00 0.00 178.44 180.36 2dn6 h LYS 106 N 0.19 1.05 -0.79 1.13 1.57 -0.46 -2.39 116.57 116.88 2dn6 h LYS 106 Ca -0.07 -0.06 0.16 0.00 -1.87 0.00 0.00 60.65 58.80 2dn6 h LYS 106 Cb 1.56 -0.24 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 2dn6 h LYS 106 CO 0.15 0.70 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.45 2dn6 h LEU 107 N 1.09 -0.78 0.00 2.94 -0.00 -1.52 -3.46 115.31 113.57 2dn6 h LEU 107 Ca 0.44 0.24 0.00 0.00 -0.00 0.00 0.00 57.88 58.56 2dn6 h LEU 107 Cb 0.28 0.51 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 2dn6 h LEU 107 CO -0.19 -0.27 0.00 0.61 -0.00 0.00 0.00 178.44 178.59 2dn6 n GLY 108 N -1.51 0.98 3.98 0.83 0.00 -0.90 -5.12 105.19 103.45 2dn6 n GLY 108 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2dn6 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dn6 s SER 109 N -1.96 5.71 -1.33 1.61 0.15 -1.26 -4.50 113.70 112.13 2dn6 s SER 109 Ca 0.00 -0.12 -0.08 0.00 0.70 0.00 0.00 55.95 56.46 2dn6 s SER 109 Cb 0.00 -1.06 0.01 0.00 -1.71 0.00 0.00 66.02 63.26 2dn6 s SER 109 CO 0.00 -0.72 1.16 -1.20 1.20 0.00 0.00 173.24 173.67 2dn6 n SER 110 N -1.93 -5.66 0.00 5.45 7.64 -1.26 -4.95 113.62 112.90 2dn6 n SER 110 Ca 0.04 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.37 2dn6 n SER 110 Cb 0.59 -5.05 0.00 0.00 -1.01 0.00 0.00 64.21 58.74 2dn6 n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dn6 n GLY 111 N -1.87 4.88 3.77 0.23 0.00 -1.26 -5.16 105.19 105.78 2dn6 n GLY 111 Ca -0.04 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 2dn6 n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dn6 s PRO 112 N 2.65 2.43 -0.54 1.61 0.04 -1.26 -4.92 135.00 135.01 2dn6 s PRO 112 Ca 0.00 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.01 2dn6 s PRO 112 Cb 0.00 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2dn6 s PRO 112 CO 0.00 -1.52 1.85 -1.12 0.04 0.00 0.00 177.00 176.25 2dn6 s SER 113 N -3.14 5.40 1.01 6.66 0.01 -1.26 -4.96 113.70 117.41 2dn6 s SER 113 Ca 0.63 0.57 -0.13 0.00 1.31 0.00 0.00 55.95 58.33 2dn6 s SER 113 Cb -0.18 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.64 2dn6 s SER 113 CO 0.51 -2.23 0.65 -0.24 0.41 0.00 0.00 173.24 172.35 2dn6 n SER 114 N 12.25 -1.36 0.00 2.44 2.88 -1.26 -5.29 113.62 123.27 2dn6 n SER 114 Ca 0.21 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 2dn6 n SER 114 Cb 0.51 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2dn6 n SER 114 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42