#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 -0.57 0.00 1.61 1.04 -1.26 -5.17 113.70 109.35 2dn6 s SER 2 Ca 0.00 0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.85 2dn6 s SER 2 Cb 0.00 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 2dn6 s SER 2 CO 0.00 -0.71 -0.06 -0.44 0.98 0.00 0.00 173.24 173.01 2dn6 s SER 3 N -1.74 0.66 0.00 7.02 0.01 -1.26 -5.11 113.70 113.28 2dn6 s SER 3 Ca -0.07 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2dn6 s SER 3 Cb -0.01 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2dn6 s SER 3 CO 0.02 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2dn6 n GLY 4 N 2.75 2.97 3.13 3.44 0.00 -1.26 -4.94 105.19 111.28 2dn6 n GLY 4 Ca -0.14 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2dn6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dn6 n SER 5 N 0.00 5.08 -3.67 1.61 7.64 -1.26 -4.78 113.62 118.24 2dn6 n SER 5 Ca 0.00 -3.17 -0.30 0.00 1.01 0.00 0.00 58.87 56.40 2dn6 n SER 5 Cb 0.00 -1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 61.95 2dn6 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dn6 n SER 6 N 2.16 -1.31 0.00 6.43 2.88 -1.26 -4.68 113.62 117.84 2dn6 n SER 6 Ca 0.24 -0.88 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2dn6 n SER 6 Cb 0.37 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 2dn6 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dn6 n GLY 7 N -0.89 4.26 3.73 0.46 0.00 -1.26 -5.12 105.19 106.37 2dn6 n GLY 7 Ca 0.09 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2dn6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dn6 s VAL 8 N 3.06 4.15 -0.12 1.61 0.11 -1.26 -4.22 120.40 123.72 2dn6 s VAL 8 Ca 0.00 1.71 -0.25 0.00 -2.93 0.00 0.00 61.98 60.50 2dn6 s VAL 8 Cb 0.00 -4.09 -0.22 0.00 -1.53 0.00 0.00 36.38 30.54 2dn6 s VAL 8 CO 0.00 0.22 0.72 -0.07 -3.33 0.00 0.00 175.10 172.64 2dn6 h LEU 9 N 5.86 -0.01 -8.88 2.54 3.38 -1.31 -3.42 115.31 113.47 2dn6 h LEU 9 Ca -0.43 -0.83 -0.51 0.00 0.09 0.00 0.00 57.88 56.20 2dn6 h LEU 9 Cb 1.21 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.80 2dn6 h LEU 9 CO 0.75 0.89 -0.77 -0.75 0.09 0.00 0.00 178.44 178.65 2dn6 s LYS 10 N -2.32 1.33 -0.26 1.13 2.20 -1.20 -4.86 119.74 115.76 2dn6 s LYS 10 Ca -0.16 -1.49 -0.17 0.00 -0.36 0.00 0.00 55.97 53.79 2dn6 s LYS 10 Cb -0.02 -1.33 0.07 0.00 -1.51 0.00 0.00 37.83 35.04 2dn6 s LYS 10 CO 0.60 0.26 0.65 1.14 -0.36 0.00 0.00 175.35 177.64 2dn6 s GLN 11 N -3.07 0.69 0.00 4.03 -2.07 -1.26 -1.96 119.66 116.02 2dn6 s GLN 11 Ca 0.19 1.09 0.00 0.00 -1.82 0.00 0.00 55.36 54.82 2dn6 s GLN 11 Cb -0.04 0.19 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 2dn6 s GLN 11 CO 0.07 -0.13 0.00 0.41 -1.32 0.00 0.00 175.29 174.32 2dn6 n GLY 12 N 3.85 1.53 3.65 2.60 0.00 -1.18 -5.00 105.19 110.64 2dn6 n GLY 12 Ca -0.19 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.57 1.66 0.11 1.61 2.02 -1.26 -2.79 117.35 117.13 2dn6 s TYR 13 Ca 0.00 0.06 0.07 0.00 -0.37 0.00 0.00 57.07 56.82 2dn6 s TYR 13 Cb 0.00 -4.04 -0.03 0.00 -0.40 0.00 0.00 41.96 37.48 2dn6 s TYR 13 CO 0.00 -4.33 -0.17 -1.64 -1.57 0.00 0.00 175.55 167.84 2dn6 s MET 14 N 4.55 1.02 -0.30 -0.62 -1.94 0.70 -4.82 119.30 117.89 2dn6 s MET 14 Ca 0.81 -1.15 -0.15 0.00 -1.71 0.00 0.00 55.69 53.49 2dn6 s MET 14 Cb -0.35 -1.08 -0.03 0.00 2.01 0.00 0.00 34.83 35.39 2dn6 s MET 14 CO 0.34 0.23 0.39 -1.64 -0.01 0.00 0.00 175.02 174.34 2dn6 s MET 15 N -2.18 3.84 -0.11 2.03 1.00 -1.23 0.40 119.30 123.05 2dn6 s MET 15 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 55.69 55.60 2dn6 s MET 15 Cb -0.08 -3.72 -0.04 0.00 0.00 0.00 0.00 34.83 31.00 2dn6 s MET 15 CO 0.04 -0.40 0.08 0.21 0.00 0.00 0.00 175.02 174.94 2dn6 s LYS 16 N 2.11 3.27 -0.09 2.03 2.20 -1.00 0.70 119.74 128.96 2dn6 s LYS 16 Ca 0.15 -0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.20 2dn6 s LYS 16 Cb -0.16 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 2dn6 s LYS 16 CO 0.11 0.72 1.43 0.21 -0.36 0.00 0.00 175.35 177.47 2dn6 s LYS 17 N -0.90 4.22 0.00 4.03 2.20 0.91 -3.83 119.74 126.36 2dn6 s LYS 17 Ca 0.14 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.66 2dn6 s LYS 17 Cb -0.12 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 2dn6 s LYS 17 CO 0.03 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 2dn6 n GLY 18 N 3.81 -1.18 3.93 5.54 0.00 -1.21 -4.67 105.19 111.41 2dn6 n GLY 18 Ca 0.15 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2dn6 n GLY 18 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dn6 s HIS 19 N 0.00 2.65 0.43 1.61 3.76 -1.26 -4.90 115.29 117.58 2dn6 s HIS 19 Ca 0.00 0.42 0.34 0.00 -0.15 0.00 0.00 55.06 55.67 2dn6 s HIS 19 Cb 0.00 -3.35 1.43 0.00 1.11 0.00 0.00 32.58 31.77 2dn6 s HIS 19 CO 0.00 -1.66 1.45 2.89 -0.85 0.00 0.00 174.74 176.57 2dn6 n ARG 20 N -3.09 -0.03 -1.78 1.40 -4.01 -1.26 -4.39 116.66 103.50 2dn6 n ARG 20 Ca 0.09 1.13 -0.41 0.00 -1.04 0.00 0.00 57.85 57.62 2dn6 n ARG 20 Cb 0.60 -2.30 -0.01 0.00 -3.04 0.00 0.00 32.46 27.71 2dn6 n ARG 20 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 2dn6 s ARG 21 N -5.04 4.11 -0.56 2.89 3.52 -1.26 -4.84 118.95 117.77 2dn6 s ARG 21 Ca -0.06 2.59 -0.26 0.00 -0.13 0.00 0.00 55.73 57.86 2dn6 s ARG 21 Cb 0.28 -3.00 -0.06 0.00 -1.56 0.00 0.00 34.95 30.60 2dn6 s ARG 21 CO 0.77 -0.61 2.28 0.15 -0.81 0.00 0.00 175.30 177.09 2dn6 s LYS 22 N -1.00 2.17 -0.15 5.12 3.01 -1.26 -4.74 119.74 122.90 2dn6 s LYS 22 Ca 0.60 1.11 -0.13 0.00 -1.01 0.00 0.00 55.97 56.54 2dn6 s LYS 22 Cb -0.48 -4.58 0.04 0.00 -1.01 0.00 0.00 37.83 31.81 2dn6 s LYS 22 CO 0.53 -3.28 0.39 1.21 0.51 0.00 0.00 175.35 174.70 2dn6 s ASN 23 N 11.13 -0.41 -0.04 2.83 3.84 -1.26 -5.11 114.94 125.92 2dn6 s ASN 23 Ca 0.90 0.78 0.02 0.00 0.21 0.00 0.00 52.86 54.77 2dn6 s ASN 23 Cb -0.15 0.78 0.01 0.00 -0.55 0.00 0.00 41.25 41.34 2dn6 s ASN 23 CO 0.22 -0.14 -0.09 0.26 -2.79 0.00 0.00 177.10 174.57 2dn6 s TRP 24 N 0.31 1.01 -0.02 0.43 0.52 -1.26 -3.32 118.94 116.59 2dn6 s TRP 24 Ca -0.01 -0.29 -0.01 0.00 0.02 0.00 0.00 56.10 55.81 2dn6 s TRP 24 Cb -0.03 -0.76 0.02 0.00 -1.15 0.00 0.00 33.47 31.55 2dn6 s TRP 24 CO -0.01 -0.16 0.05 0.95 0.02 0.00 0.00 176.95 177.81 2dn6 s THR 25 N 0.47 -0.02 0.54 2.01 -4.23 -1.25 -5.01 115.64 108.14 2dn6 s THR 25 Ca -0.08 0.09 -0.20 0.00 -1.18 0.00 0.00 61.69 60.32 2dn6 s THR 25 Cb -0.12 -0.09 -0.06 0.00 1.34 0.00 0.00 72.50 73.57 2dn6 s THR 25 CO 0.01 0.04 1.12 -0.70 -0.54 0.00 0.00 174.62 174.55 2dn6 s GLU 26 N 0.48 3.40 -0.26 3.99 2.12 -1.26 -2.38 118.70 124.79 2dn6 s GLU 26 Ca -0.04 1.60 -0.26 0.00 0.36 0.00 0.00 54.97 56.63 2dn6 s GLU 26 Cb -0.05 -2.02 0.11 0.00 0.26 0.00 0.00 34.13 32.42 2dn6 s GLU 26 CO -0.02 -0.81 0.94 1.03 -0.54 0.00 0.00 175.26 175.87 2dn6 s ARG 27 N -3.26 0.61 0.24 4.30 0.52 0.16 -4.91 118.95 116.61 2dn6 s ARG 27 Ca 0.72 0.63 -0.30 0.00 -0.52 0.00 0.00 55.73 56.27 2dn6 s ARG 27 Cb -0.23 0.30 -0.10 0.00 0.52 0.00 0.00 34.95 35.44 2dn6 s ARG 27 CO 0.27 -0.09 1.36 -0.46 0.02 0.00 0.00 175.30 176.40 2dn6 s TRP 28 N 0.08 3.12 -0.09 -0.53 -0.11 -0.97 -0.22 118.94 120.23 2dn6 s TRP 28 Ca 0.01 1.18 0.04 0.00 1.22 0.00 0.00 56.10 58.55 2dn6 s TRP 28 Cb -0.04 -3.70 0.00 0.00 -1.50 0.00 0.00 33.47 28.22 2dn6 s TRP 28 CO -0.03 -2.19 -0.22 -0.06 -4.62 0.00 0.00 176.95 169.83 2dn6 s PHE 29 N -0.17 2.33 -0.46 5.86 0.40 -1.12 -1.46 117.98 123.36 2dn6 s PHE 29 Ca 0.56 -0.90 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 2dn6 s PHE 29 Cb -0.39 -1.57 0.12 0.00 0.51 0.00 0.00 43.02 41.69 2dn6 s PHE 29 CO 0.43 -0.36 0.22 0.08 0.70 0.00 0.00 175.22 176.29 2dn6 s VAL 30 N 0.31 2.93 -0.76 -0.44 1.01 0.18 -3.09 120.40 120.56 2dn6 s VAL 30 Ca -0.16 -2.60 -0.26 0.00 0.00 0.00 0.00 61.98 58.97 2dn6 s VAL 30 Cb -0.17 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.19 2dn6 s VAL 30 CO 0.07 -0.73 1.58 -0.22 0.00 0.00 0.00 175.10 175.81 2dn6 s LEU 31 N 0.52 3.25 0.70 3.92 2.96 -0.83 -1.96 118.68 127.24 2dn6 s LEU 31 Ca 0.13 -0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 2dn6 s LEU 31 Cb -0.22 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 43.93 2dn6 s LEU 31 CO -0.04 -2.08 1.09 -0.54 -1.32 0.00 0.00 176.35 173.45 2dn6 s LYS 32 N 6.23 2.92 0.43 1.98 -0.14 0.13 -0.84 119.74 130.44 2dn6 s LYS 32 Ca 0.52 0.52 0.22 0.00 -1.36 0.00 0.00 55.97 55.87 2dn6 s LYS 32 Cb -0.08 -2.02 0.95 0.00 -1.68 0.00 0.00 37.83 34.99 2dn6 s LYS 32 CO 0.12 -1.01 1.85 -1.00 -0.76 0.00 0.00 175.35 174.55 2dn6 h PRO 33 N -0.63 0.00 0.00 -1.68 0.13 -1.95 -3.24 132.00 124.63 2dn6 h PRO 33 Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 2dn6 h PRO 33 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.21 2dn6 h PRO 33 CO 0.63 0.27 -0.67 0.09 -0.23 0.00 0.00 178.00 178.09 2dn6 n ASN 34 N -3.56 0.92 -3.98 1.44 3.02 -1.26 -4.90 115.26 106.94 2dn6 n ASN 34 Ca -0.01 -2.39 0.05 0.00 -0.03 0.00 0.00 54.58 52.20 2dn6 n ASN 34 Cb 0.41 -0.31 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 2dn6 n ASN 34 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2dn6 s ILE 35 N -0.78 0.00 -0.26 2.41 2.07 -1.22 -4.14 121.20 119.28 2dn6 s ILE 35 Ca 0.23 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.45 2dn6 s ILE 35 Cb 0.25 -2.88 0.13 0.00 0.13 0.00 0.00 42.46 40.09 2dn6 s ILE 35 CO -0.08 0.00 0.34 -0.63 -1.91 0.00 0.00 174.94 172.66 2dn6 s ILE 36 N -2.00 -0.51 0.16 2.00 1.01 -1.15 0.20 121.20 120.91 2dn6 s ILE 36 Ca 0.31 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.77 2dn6 s ILE 36 Cb 0.01 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2dn6 s ILE 36 CO -0.03 -0.27 0.05 -0.44 0.00 0.00 0.00 174.94 174.25 2dn6 s SER 37 N 2.46 5.10 -0.07 3.58 0.01 -0.83 -0.90 113.70 123.05 2dn6 s SER 37 Ca 0.10 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2dn6 s SER 37 Cb -0.14 -1.20 0.02 0.00 0.21 0.00 0.00 66.02 64.90 2dn6 s SER 37 CO -0.23 0.09 -0.09 -0.72 0.41 0.00 0.00 173.24 172.70 2dn6 s TYR 38 N -1.70 1.22 -0.19 2.43 1.13 -1.23 0.52 117.35 119.54 2dn6 s TYR 38 Ca 0.29 -0.46 -0.04 0.00 -1.41 0.00 0.00 57.07 55.45 2dn6 s TYR 38 Cb -0.10 -0.97 -0.02 0.00 -1.10 0.00 0.00 41.96 39.78 2dn6 s TYR 38 CO 0.20 -0.29 -0.04 0.71 -2.51 0.00 0.00 175.55 173.62 2dn6 s TYR 39 N 0.95 2.97 0.34 -3.49 1.51 -0.53 -2.38 117.35 116.72 2dn6 s TYR 39 Ca -0.10 -0.65 0.28 0.00 -1.01 0.00 0.00 57.07 55.59 2dn6 s TYR 39 Cb -0.15 -2.04 1.10 0.00 -0.11 0.00 0.00 41.96 40.76 2dn6 s TYR 39 CO 0.00 -0.33 1.07 1.33 -1.11 0.00 0.00 175.55 176.51 2dn6 n VAL 40 N 4.28 -0.10 -4.34 0.71 0.24 -1.15 -2.29 118.33 115.68 2dn6 n VAL 40 Ca -0.18 1.14 -0.15 0.00 -2.04 0.00 0.00 64.34 63.11 2dn6 n VAL 40 Cb 0.52 -1.88 -0.04 0.00 -1.47 0.00 0.00 33.84 30.97 2dn6 n VAL 40 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2dn6 n SER 41 N -3.72 1.98 -1.83 -1.34 2.88 -1.26 -4.12 113.62 106.20 2dn6 n SER 41 Ca 0.29 -2.16 -0.15 0.00 -1.33 0.00 0.00 58.87 55.53 2dn6 n SER 41 Cb 1.22 0.35 0.21 0.00 -0.75 0.00 0.00 64.21 65.23 2dn6 n SER 41 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2dn6 n GLU 42 N -0.58 2.34 -0.00 -1.46 0.28 -1.26 -4.28 120.64 115.68 2dn6 n GLU 42 Ca -0.07 -3.07 0.09 0.00 -0.16 0.00 0.00 57.16 53.95 2dn6 n GLU 42 Cb 0.33 -2.06 -0.12 0.00 1.43 0.00 0.00 31.44 31.02 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 -0.99 0.86 -2.82 -1.84 8.00 -1.26 -4.98 116.55 113.52 2dn6 n ASP 43 Ca 0.48 -0.85 -0.22 0.00 0.71 0.00 0.00 54.79 54.91 2dn6 n ASP 43 Cb 1.42 1.11 0.02 0.00 -0.02 0.00 0.00 41.12 43.65 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 -1.55 -2.47 -0.07 0.64 4.77 -1.26 -4.87 117.00 112.18 2dn6 n LEU 44 Ca 0.03 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 2dn6 n LEU 44 Cb 0.33 -2.98 -0.06 0.00 -2.33 0.00 0.00 43.42 38.38 2dn6 n LEU 44 CO 0.40 0.09 -0.97 0.29 -1.33 0.00 0.00 177.39 175.88 2dn6 n LYS 45 N -3.72 0.34 -3.57 3.23 4.76 -1.26 -4.92 118.16 113.03 2dn6 n LYS 45 Ca -0.16 0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 54.96 2dn6 n LYS 45 Cb 0.64 -1.23 -0.10 0.00 -1.84 0.00 0.00 35.03 32.50 2dn6 n LYS 45 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2dn6 s ASP 46 N -5.54 5.77 -0.03 4.39 2.15 -1.26 -5.08 116.67 117.07 2dn6 s ASP 46 Ca -0.19 -1.23 -0.03 0.00 0.43 0.00 0.00 52.55 51.52 2dn6 s ASP 46 Cb 0.05 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.60 2dn6 s ASP 46 CO 0.31 -0.48 0.16 -0.75 -0.17 0.00 0.00 175.17 174.24 2dn6 s LYS 47 N 1.52 3.39 -0.25 4.34 2.20 -1.26 -2.96 119.74 126.72 2dn6 s LYS 47 Ca 0.03 -0.30 -0.06 0.00 -0.36 0.00 0.00 55.97 55.27 2dn6 s LYS 47 Cb -0.21 -3.09 -0.13 0.00 -1.51 0.00 0.00 37.83 32.89 2dn6 s LYS 47 CO 0.05 0.70 -0.28 1.63 -0.36 0.00 0.00 175.35 177.08 2dn6 n LYS 48 N 1.22 0.58 -3.69 4.03 4.76 -1.00 -4.97 118.16 119.09 2dn6 n LYS 48 Ca -0.13 0.20 -0.02 0.00 -2.87 0.00 0.00 58.31 55.49 2dn6 n LYS 48 Cb 0.53 -1.45 0.02 0.00 -1.84 0.00 0.00 35.03 32.29 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 1.80 0.58 2.88 0.72 0.00 -1.26 -5.07 105.19 104.84 2dn6 n GLY 49 Ca -0.48 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.26 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 -3.31 0.57 -0.63 1.61 1.11 -1.26 -3.49 116.67 111.28 2dn6 s ASP 50 Ca 0.22 -0.07 -0.17 0.00 0.18 0.00 0.00 52.55 52.71 2dn6 s ASP 50 Cb -0.02 -0.22 0.14 0.00 1.07 0.00 0.00 42.92 43.89 2dn6 s ASP 50 CO 0.04 -0.03 0.65 -0.63 1.18 0.00 0.00 175.17 176.38 2dn6 s ILE 51 N 0.58 5.11 -0.35 0.77 1.01 -0.08 -4.94 121.20 123.31 2dn6 s ILE 51 Ca -0.06 -1.49 -0.31 0.00 0.00 0.00 0.00 60.65 58.78 2dn6 s ILE 51 Cb -0.10 -4.44 -0.09 0.00 0.01 0.00 0.00 42.46 37.84 2dn6 s ILE 51 CO -0.01 -1.03 2.26 0.18 0.00 0.00 0.00 174.94 176.35 2dn6 n LEU 52 N 5.49 2.46 -4.80 2.97 4.77 -1.26 -2.91 117.00 123.72 2dn6 n LEU 52 Ca -0.06 0.20 -0.34 0.00 -0.03 0.00 0.00 56.01 55.78 2dn6 n LEU 52 Cb 0.43 -1.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.08 2dn6 n LEU 52 CO 0.52 -0.84 0.70 -0.76 -1.33 0.00 0.00 177.39 175.68 2dn6 s LEU 53 N 8.45 3.86 -0.22 2.23 1.43 -1.26 -4.95 118.68 128.22 2dn6 s LEU 53 Ca 1.06 1.88 -0.29 0.00 -1.03 0.00 0.00 54.13 55.75 2dn6 s LEU 53 Cb -0.60 -4.56 0.15 0.00 0.03 0.00 0.00 46.19 41.22 2dn6 s LEU 53 CO 0.41 -0.70 1.14 1.51 0.23 0.00 0.00 176.35 178.94 2dn6 s ASP 54 N -2.04 -0.25 0.18 2.29 1.47 -1.26 -4.91 116.67 112.14 2dn6 s ASP 54 Ca 0.66 0.30 -0.08 0.00 1.18 0.00 0.00 52.55 54.61 2dn6 s ASP 54 Cb -0.15 0.24 0.25 0.00 -0.34 0.00 0.00 42.92 42.93 2dn6 s ASP 54 CO 0.19 -0.21 1.07 -1.84 0.68 0.00 0.00 175.17 175.06 2dn6 n GLU 55 N 0.81 -0.10 -0.09 2.11 0.28 -1.26 0.11 120.64 122.50 2dn6 n GLU 55 Ca -0.07 1.07 -0.08 0.00 -0.16 0.00 0.00 57.16 57.92 2dn6 n GLU 55 Cb 0.58 -1.59 -0.01 0.00 1.43 0.00 0.00 31.44 31.85 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 -0.92 -3.14 -1.84 4.21 -1.96 -3.41 115.58 108.53 2dn6 h ASN 56 Ca 0.29 0.17 -0.57 0.00 1.21 0.00 0.00 56.30 57.39 2dn6 h ASN 56 Cb 0.46 0.44 0.11 0.00 -1.12 0.00 0.00 38.32 38.21 2dn6 h ASN 56 CO -0.70 -0.30 0.46 0.00 -1.29 0.00 0.00 177.43 175.60 2dn6 s VAL 59 N -3.99 2.21 0.16 0.00 0.11 -1.26 0.29 120.40 117.92 2dn6 s VAL 59 Ca 0.19 -1.74 0.03 0.00 -2.93 0.00 0.00 61.98 57.53 2dn6 s VAL 59 Cb -0.02 -1.96 -0.05 0.00 -1.53 0.00 0.00 36.38 32.83 2dn6 s VAL 59 CO 0.08 0.07 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.27 2dn6 s GLU 60 N -2.05 1.08 -0.35 1.54 0.41 -0.33 -4.95 118.70 114.05 2dn6 s GLU 60 Ca 0.13 -1.50 -0.11 0.00 -0.41 0.00 0.00 54.97 53.08 2dn6 s GLU 60 Cb -0.10 -0.41 0.01 0.00 -1.78 0.00 0.00 34.13 31.85 2dn6 s GLU 60 CO 0.06 -0.05 0.20 -1.12 -0.49 0.00 0.00 175.26 173.87 2dn6 s SER 61 N -3.17 5.78 0.29 -0.19 0.01 -1.26 -2.40 113.70 112.76 2dn6 s SER 61 Ca 0.20 -0.70 -0.13 0.00 1.31 0.00 0.00 55.95 56.63 2dn6 s SER 61 Cb 0.05 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 64.14 2dn6 s SER 61 CO 0.02 -0.30 0.67 -0.76 0.41 0.00 0.00 173.24 173.28 2dn6 s LEU 62 N 1.62 4.10 0.00 2.44 1.43 -0.80 -4.98 118.68 122.49 2dn6 s LEU 62 Ca 0.04 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2dn6 s LEU 62 Cb -0.18 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.11 2dn6 s LEU 62 CO 0.08 -0.16 0.00 -0.81 0.23 0.00 0.00 176.35 175.69 2dn6 n PRO 63 N -0.27 -0.77 -2.88 1.29 -0.04 -1.26 -3.89 135.00 127.17 2dn6 n PRO 63 Ca 0.02 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 2dn6 n PRO 63 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 7.11 0.13 3.54 -4.77 -1.26 -4.50 116.67 115.41 2dn6 s ASP 64 Ca 0.00 1.35 -0.24 0.00 -3.30 0.00 0.00 52.55 50.36 2dn6 s ASP 64 Cb 0.00 -2.48 0.07 0.00 -1.09 0.00 0.00 42.92 39.42 2dn6 s ASP 64 CO 0.00 -0.25 0.62 -1.59 0.70 0.00 0.00 175.17 174.65 2dn6 s LYS 65 N 1.27 1.24 -1.60 2.11 -2.85 -1.25 -4.90 119.74 113.76 2dn6 s LYS 65 Ca 0.43 -0.37 -0.15 0.00 -1.00 0.00 0.00 55.97 54.88 2dn6 s LYS 65 Cb -0.18 0.57 0.11 0.00 -2.06 0.00 0.00 37.83 36.27 2dn6 s LYS 65 CO 0.20 -0.52 0.85 -0.25 0.10 0.00 0.00 175.35 175.73 2dn6 n ASP 66 N -0.21 -3.75 -2.94 0.03 8.00 -1.26 -1.80 116.55 114.62 2dn6 n ASP 66 Ca -0.17 -0.90 -0.13 0.00 0.71 0.00 0.00 54.79 54.30 2dn6 n ASP 66 Cb 0.64 -3.33 0.07 0.00 -0.02 0.00 0.00 41.12 38.48 2dn6 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dn6 n GLY 67 N -1.57 -0.44 3.31 0.44 0.00 -1.26 -5.04 105.19 100.63 2dn6 n GLY 67 Ca 0.03 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.69 1.40 0.00 1.61 -0.14 -0.75 -5.07 119.74 112.09 2dn6 s LYS 68 Ca 0.15 -1.75 0.00 0.00 -1.36 0.00 0.00 55.97 53.01 2dn6 s LYS 68 Cb -0.02 -0.27 0.00 0.00 -1.68 0.00 0.00 37.83 35.86 2dn6 s LYS 68 CO 0.59 -0.29 0.00 0.36 -0.76 0.00 0.00 175.35 175.26 2dn6 n LYS 69 N -0.46 0.00 -3.92 1.68 0.00 -1.26 -3.97 118.16 110.23 2dn6 n LYS 69 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.01 2dn6 n LYS 69 Cb 0.66 -0.64 -0.14 0.00 -0.00 0.00 0.00 35.03 34.91 2dn6 n LYS 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dn6 s LEU 71 N -0.01 3.06 -0.25 0.00 1.43 -1.25 -1.87 118.68 119.80 2dn6 s LEU 71 Ca 0.16 -0.49 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 2dn6 s LEU 71 Cb -0.25 -1.77 0.07 0.00 0.03 0.00 0.00 46.19 44.27 2dn6 s LEU 71 CO -0.01 0.12 0.62 0.72 0.23 0.00 0.00 176.35 178.03 2dn6 s PHE 72 N -1.58 -0.84 0.09 0.29 -0.12 -0.91 -1.91 117.98 113.00 2dn6 s PHE 72 Ca 0.24 1.83 0.08 0.00 -0.05 0.00 0.00 56.93 59.03 2dn6 s PHE 72 Cb -0.09 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 2dn6 s PHE 72 CO 0.15 -0.42 -0.20 -1.17 -0.05 0.00 0.00 175.22 173.53 2dn6 s LEU 73 N 1.07 2.28 -0.19 -1.99 0.20 -1.01 -1.59 118.68 117.46 2dn6 s LEU 73 Ca -0.06 -0.66 -0.07 0.00 0.69 0.00 0.00 54.13 54.03 2dn6 s LEU 73 Cb -0.05 -0.86 -0.04 0.00 -0.43 0.00 0.00 46.19 44.81 2dn6 s LEU 73 CO -0.10 0.05 0.05 -0.69 -0.29 0.00 0.00 176.35 175.37 2dn6 s VAL 74 N -1.14 4.58 -0.23 1.68 1.01 0.49 -1.18 120.40 125.61 2dn6 s VAL 74 Ca 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 2dn6 s VAL 74 Cb -0.10 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2dn6 s VAL 74 CO 0.04 0.45 0.07 -0.54 0.00 0.00 0.00 175.10 175.12 2dn6 s LYS 75 N 0.53 3.73 0.50 2.72 1.02 0.15 -1.84 119.74 126.55 2dn6 s LYS 75 Ca 0.02 -0.44 0.04 0.00 0.02 0.00 0.00 55.97 55.61 2dn6 s LYS 75 Cb -0.13 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2dn6 s LYS 75 CO 0.01 -0.08 0.17 0.00 -0.92 0.00 0.00 175.35 174.53 2dn6 n PHE 77 N -1.42 0.00 0.00 0.00 3.72 -1.26 -3.98 117.46 114.53 2dn6 n PHE 77 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2dn6 n PHE 77 Cb 0.66 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 -2.25 3.63 -4.85 4.37 8.00 -1.26 -5.06 116.55 119.14 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 0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 2dn6 n ASP 78 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2dn6 s LYS 79 N -1.62 4.00 0.09 -1.24 -2.85 -1.26 -5.09 119.74 111.78 2dn6 s LYS 79 Ca 0.00 0.73 0.04 0.00 -1.00 0.00 0.00 55.97 55.74 2dn6 s LYS 79 Cb 0.00 -2.36 -0.04 0.00 -2.06 0.00 0.00 37.83 33.37 2dn6 s LYS 79 CO 0.00 0.06 -0.10 0.95 0.10 0.00 0.00 175.35 176.36 2dn6 s THR 80 N -2.13 0.93 -0.21 3.79 -4.23 -1.26 -1.58 115.64 110.95 2dn6 s THR 80 Ca 0.55 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 2dn6 s THR 80 Cb -0.10 -1.32 0.10 0.00 1.34 0.00 0.00 72.50 72.52 2dn6 s THR 80 CO 0.20 -0.54 0.23 -0.36 -0.54 0.00 0.00 174.62 173.61 2dn6 s PHE 81 N -2.36 -0.30 -0.27 3.99 0.40 -0.77 -5.02 117.98 113.66 2dn6 s PHE 81 Ca 0.05 0.19 -0.16 0.00 -0.60 0.00 0.00 56.93 56.41 2dn6 s PHE 81 Cb -0.03 -0.37 -0.03 0.00 0.51 0.00 0.00 43.02 43.10 2dn6 s PHE 81 CO 0.00 -0.63 0.43 -2.00 0.70 0.00 0.00 175.22 173.72 2dn6 s GLU 82 N 2.33 4.02 0.14 0.44 2.12 -1.26 -0.38 118.70 126.11 2dn6 s GLU 82 Ca 0.07 0.14 0.10 0.00 0.36 0.00 0.00 54.97 55.65 2dn6 s GLU 82 Cb -0.16 -3.66 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 2dn6 s GLU 82 CO -0.14 -0.32 -0.25 0.42 -0.54 0.00 0.00 175.26 174.43 2dn6 s ILE 83 N 2.17 2.14 -0.02 -3.70 1.01 -0.62 -0.07 121.20 122.12 2dn6 s ILE 83 Ca 0.17 -1.77 0.06 0.00 0.00 0.00 0.00 60.65 59.11 2dn6 s ILE 83 Cb -0.16 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 2dn6 s ILE 83 CO 0.10 0.00 -0.19 -0.55 0.00 0.00 0.00 174.94 174.30 2dn6 s SER 84 N -2.17 3.69 0.27 3.58 0.15 0.22 -2.14 113.70 117.30 2dn6 s SER 84 Ca 0.14 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.55 2dn6 s SER 84 Cb -0.09 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 2dn6 s SER 84 CO 0.06 0.32 0.12 0.00 1.20 0.00 0.00 173.24 174.95 2dn6 s ALA 85 N -0.73 3.44 -0.15 5.45 0.00 -0.78 -3.55 121.76 125.43 2dn6 s ALA 85 Ca 0.12 -1.55 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 2dn6 s ALA 85 Cb -0.10 -1.06 -0.08 0.00 0.00 0.00 0.00 23.12 21.88 2dn6 s ALA 85 CO 0.01 0.23 0.03 1.03 0.00 0.00 0.00 175.76 177.06 2dn6 h SER 86 N 1.63 0.00 -3.57 0.00 0.87 -1.96 -3.42 113.55 107.11 2dn6 h SER 86 Ca -0.46 -0.21 -0.46 0.00 -1.23 0.00 0.00 61.79 59.43 2dn6 h SER 86 Cb 1.24 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.04 2dn6 h SER 86 CO 0.61 0.90 -0.75 1.51 -0.53 0.00 0.00 176.83 178.57 2dn6 s ASP 87 N -6.01 2.42 0.38 6.23 1.47 -1.26 -4.77 116.67 115.12 2dn6 s ASP 87 Ca -0.16 -0.92 0.23 0.00 1.18 0.00 0.00 52.55 52.88 2dn6 s ASP 87 Cb 0.02 -0.12 1.34 0.00 -0.34 0.00 0.00 42.92 43.82 2dn6 s ASP 87 CO 0.31 -0.13 1.60 0.11 0.68 0.00 0.00 175.17 177.73 2dn6 h LYS 88 N 3.02 0.06 0.07 2.11 1.79 -1.94 -0.20 116.57 121.48 2dn6 h LYS 88 Ca -0.40 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.08 2dn6 h LYS 88 Cb 1.21 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.82 2dn6 h LYS 88 CO 0.56 0.04 -0.27 -0.22 -1.08 0.00 0.00 179.45 178.48 2dn6 h LYS 89 N 0.06 -0.37 0.16 3.15 3.64 -1.98 0.23 116.57 121.46 2dn6 h LYS 89 Ca 0.83 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 60.25 2dn6 h LYS 89 Cb 2.28 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 34.15 2dn6 h LYS 89 CO -0.66 -0.25 -0.39 0.87 -2.27 0.00 0.00 179.45 176.75 2dn6 h LYS 90 N -0.38 -0.63 -0.27 1.90 6.56 -1.46 0.52 116.57 122.82 2dn6 h LYS 90 Ca -0.00 0.04 0.03 0.00 -1.06 0.00 0.00 60.65 59.66 2dn6 h LYS 90 Cb 0.38 0.14 -0.05 0.00 -0.57 0.00 0.00 32.23 32.13 2dn6 h LYS 90 CO -0.14 -0.42 -0.36 -0.22 -2.06 0.00 0.00 179.45 176.25 2dn6 h LYS 91 N -0.65 -0.25 0.38 3.15 3.11 -1.28 0.35 116.57 121.38 2dn6 h LYS 91 Ca 0.02 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.86 2dn6 h LYS 91 Cb 0.66 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 2dn6 h LYS 91 CO -0.21 -0.17 -0.21 0.37 -2.81 0.00 0.00 179.45 176.42 2dn6 h GLN 92 N -0.26 -0.53 -0.89 1.90 4.15 -0.40 -0.93 115.11 118.15 2dn6 h GLN 92 Ca 0.05 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.63 2dn6 h GLN 92 Cb 0.39 0.12 -0.14 0.00 0.21 0.00 0.00 27.48 28.06 2dn6 h GLN 92 CO -0.39 -0.35 -0.37 0.39 -1.93 0.00 0.00 178.83 176.18 2dn6 n GLU 93 N -3.61 -0.24 0.23 1.69 -0.58 0.18 -0.18 120.64 118.14 2dn6 n GLU 93 Ca -0.07 1.36 -0.16 0.00 -0.42 0.00 0.00 57.16 57.87 2dn6 n GLU 93 Cb 0.22 -2.02 -0.08 0.00 -0.57 0.00 0.00 31.44 29.00 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 -1.01 -0.26 -0.32 4.06 -0.23 0.25 115.95 118.45 2dn6 h TRP 94 Ca 0.28 0.01 0.06 0.00 2.06 0.00 0.00 58.89 61.30 2dn6 h TRP 94 Cb 0.50 0.39 -0.08 0.00 -1.00 0.00 0.00 29.16 28.98 2dn6 h TRP 94 CO -0.80 -0.52 -0.32 0.82 -3.56 0.00 0.00 178.44 174.06 2dn6 h ILE 95 N -0.77 0.27 -0.80 1.49 2.04 0.69 0.14 117.51 120.56 2dn6 h ILE 95 Ca -0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.93 2dn6 h ILE 95 Cb 0.69 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.96 2dn6 h ILE 95 CO -0.06 0.00 0.44 1.56 0.00 0.00 0.00 178.15 180.09 2dn6 h GLN 96 N -0.33 0.71 0.70 2.37 4.20 -0.40 0.27 115.11 122.64 2dn6 h GLN 96 Ca 0.13 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2dn6 h GLN 96 Cb 0.54 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.16 2dn6 h GLN 96 CO -0.44 0.47 -0.33 0.00 -0.67 0.00 0.00 178.83 177.86 2dn6 h ALA 97 N 1.45 -0.93 0.35 3.87 0.00 0.41 -1.30 119.26 123.11 2dn6 h ALA 97 Ca 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2dn6 h ALA 97 Cb 0.38 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2dn6 h ALA 97 CO -0.26 -0.98 -0.27 0.82 0.00 0.00 0.00 179.25 178.57 2dn6 h ILE 98 N -1.03 0.44 -0.36 0.00 2.04 -0.49 0.48 117.51 118.59 2dn6 h ILE 98 Ca -0.10 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.83 2dn6 h ILE 98 Cb 0.74 0.44 -0.09 0.00 -0.74 0.00 0.00 36.82 37.17 2dn6 h ILE 98 CO 0.16 0.00 -0.42 -0.74 0.00 0.00 0.00 178.15 177.15 2dn6 h HIS 99 N -0.62 -1.22 -0.34 1.37 2.76 -0.51 -1.27 115.15 115.33 2dn6 h HIS 99 Ca -0.03 0.06 0.03 0.00 -2.20 0.00 0.00 60.37 58.24 2dn6 h HIS 99 Cb 0.54 0.58 -0.03 0.00 1.55 0.00 0.00 27.41 30.05 2dn6 h HIS 99 CO -0.13 -0.44 0.13 0.77 -1.30 0.00 0.00 177.93 176.96 2dn6 h SER 100 N -0.35 0.16 -1.05 3.26 0.02 -1.11 -1.84 113.55 112.65 2dn6 h SER 100 Ca 0.13 0.03 0.27 0.00 -0.84 0.00 0.00 61.79 61.38 2dn6 h SER 100 Cb 0.59 0.01 -0.11 0.00 0.14 0.00 0.00 62.40 63.03 2dn6 h SER 100 CO -0.54 0.13 0.65 0.74 -1.14 0.00 0.00 176.83 176.67 2dn6 h THR 101 N 0.28 0.49 -0.33 -2.27 2.02 0.21 0.16 112.91 113.47 2dn6 h THR 101 Ca 0.15 -0.15 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2dn6 h THR 101 Cb 0.10 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 2dn6 h THR 101 CO -0.14 0.08 -0.14 0.40 0.37 0.00 0.00 175.52 176.09 2dn6 h ILE 102 N 0.43 1.29 -0.99 3.11 2.04 -0.46 -3.05 117.51 119.87 2dn6 h ILE 102 Ca 0.63 -1.24 0.19 0.00 1.00 0.00 0.00 64.86 65.45 2dn6 h ILE 102 Cb 1.50 1.38 -0.11 0.00 -0.74 0.00 0.00 36.82 38.86 2dn6 h ILE 102 CO -0.38 0.40 0.59 -0.74 0.00 0.00 0.00 178.15 178.03 2dn6 h HIS 103 N 0.46 1.04 -0.58 1.37 2.76 -0.44 0.22 115.15 119.97 2dn6 h HIS 103 Ca 0.08 0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2dn6 h HIS 103 Cb 0.66 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 2dn6 h HIS 103 CO 0.06 0.22 0.39 -0.07 -1.30 0.00 0.00 177.93 177.22 2dn6 h LEU 104 N 0.74 0.53 -0.69 0.26 3.38 -1.37 -1.06 115.31 117.10 2dn6 h LEU 104 Ca 0.57 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.40 2dn6 h LEU 104 Cb 0.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2dn6 h LEU 104 CO -0.39 0.36 -0.57 -0.07 0.09 0.00 0.00 178.44 177.86 2dn6 h LEU 105 N 0.61 0.28 -0.48 1.67 3.38 -0.64 -3.17 115.31 116.97 2dn6 h LEU 105 Ca 0.24 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2dn6 h LEU 105 Cb 0.19 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2dn6 h LEU 105 CO -0.07 0.79 0.29 0.11 0.09 0.00 0.00 178.44 179.65 2dn6 h LYS 106 N 0.19 0.56 -0.85 1.13 1.57 -0.76 -2.78 116.57 115.63 2dn6 h LYS 106 Ca -0.00 -0.03 0.16 0.00 -1.87 0.00 0.00 60.65 58.90 2dn6 h LYS 106 Cb 1.06 -0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.09 2dn6 h LYS 106 CO 0.09 0.37 -0.28 -0.07 -0.57 0.00 0.00 179.45 178.98 2dn6 h LEU 107 N 0.57 -1.04 -8.51 2.94 -0.00 -1.49 -3.35 115.31 104.44 2dn6 h LEU 107 Ca 0.19 0.27 -0.65 0.00 -0.00 0.00 0.00 57.88 57.68 2dn6 h LEU 107 Cb 0.01 0.60 -0.25 0.00 -0.00 0.00 0.00 40.66 41.02 2dn6 h LEU 107 CO -0.09 -0.29 -0.68 -0.83 -0.00 0.00 0.00 178.44 176.55 2dn6 s GLY 108 N -3.71 1.68 0.68 0.83 0.00 -1.05 -5.09 107.32 100.65 2dn6 s GLY 108 Ca -0.14 -1.15 -0.17 0.00 0.00 0.00 0.00 44.72 43.26 2dn6 s GLY 108 CO 0.74 0.48 1.24 -0.45 0.00 0.00 0.00 173.10 175.11 2dn6 s SER 109 N 1.54 4.47 0.07 1.64 0.15 -1.26 -4.86 113.70 115.45 2dn6 s SER 109 Ca 0.06 2.47 -0.26 0.00 0.70 0.00 0.00 55.95 58.91 2dn6 s SER 109 Cb -0.15 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.65 2dn6 s SER 109 CO -0.00 -2.09 1.18 -0.94 1.20 0.00 0.00 173.24 172.59 2dn6 s SER 110 N -1.72 -0.02 0.49 5.45 1.04 -1.26 -5.12 113.70 112.55 2dn6 s SER 110 Ca 0.78 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2dn6 s SER 110 Cb -0.33 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2dn6 s SER 110 CO 0.41 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.67 2dn6 n GLY 111 N -0.72 -3.88 3.65 7.32 0.00 -1.26 -4.76 105.19 105.54 2dn6 n GLY 111 Ca -0.02 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 -5.14 4.01 0.10 1.61 0.04 -1.26 -4.93 135.00 129.44 2dn6 s PRO 112 Ca 0.00 1.85 -0.31 0.00 0.04 0.00 0.00 61.00 62.57 2dn6 s PRO 112 Cb 0.00 -3.97 -0.12 0.00 0.04 0.00 0.00 34.50 30.46 2dn6 s PRO 112 CO 0.00 -1.03 1.60 1.03 0.04 0.00 0.00 177.00 178.64 2dn6 h SER 113 N 9.84 -1.12 -3.48 6.66 0.87 -2.06 -3.42 113.55 120.85 2dn6 h SER 113 Ca -0.34 0.11 -0.36 0.00 -1.23 0.00 0.00 61.79 59.97 2dn6 h SER 113 Cb 1.15 0.40 -0.34 0.00 -0.44 0.00 0.00 62.40 63.17 2dn6 h SER 113 CO 0.98 -0.50 -0.75 -0.55 -0.53 0.00 0.00 176.83 175.47 2dn6 s SER 114 N -4.64 0.60 0.00 6.23 0.15 -1.26 -5.27 113.70 109.51 2dn6 s SER 114 Ca -0.17 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2dn6 s SER 114 Cb 0.07 -0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2dn6 s SER 114 CO 0.63 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.59