#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h95 h LYS 2 N 0.00 -0.06 0.00 3.17 1.79 -1.94 -3.41 116.57 116.12 1h95 h LYS 2 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1h95 h LYS 2 Cb 0.00 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1h95 h LYS 2 CO 0.00 0.51 0.00 1.63 -1.08 0.00 0.00 179.45 180.51 1h95 n LYS 3 N -4.83 0.00 -1.77 3.15 5.02 -1.25 -5.08 118.16 113.40 1h95 n LYS 3 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1h95 n LYS 3 Cb 0.30 -0.01 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 1h95 n LYS 3 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1h95 n VAL 4 N 0.00-10.68 -0.08 -0.18 0.31 -0.85 -4.93 118.33 101.92 1h95 n VAL 4 Ca 0.00 2.52 -0.09 0.00 -0.01 0.00 0.00 64.34 66.76 1h95 n VAL 4 Cb 0.00 -4.86 -0.04 0.00 -0.91 0.00 0.00 33.84 28.03 1h95 n VAL 4 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1h95 n ILE 5 N 1.41 1.45 -3.48 2.52 -0.00 -0.76 -4.87 119.36 115.63 1h95 n ILE 5 Ca 0.00 0.14 -0.10 0.00 -0.00 0.00 0.00 62.75 62.79 1h95 n ILE 5 Cb 0.00 -2.30 -0.02 0.00 -0.00 0.00 0.00 39.64 37.32 1h95 n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1h95 s ALA 6 N -2.65 -1.66 0.21 -1.39 0.00 -1.10 -5.02 121.76 110.16 1h95 s ALA 6 Ca -0.19 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.44 1h95 s ALA 6 Cb 0.03 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1h95 s ALA 6 CO 0.32 -0.76 0.15 0.95 0.00 0.00 0.00 175.76 176.41 1h95 s THR 7 N -3.54 4.35 -1.11 0.00 -4.23 -1.26 0.37 115.64 110.22 1h95 s THR 7 Ca 0.03 -1.31 -0.07 0.00 -1.18 0.00 0.00 61.69 59.16 1h95 s THR 7 Cb -0.01 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 1h95 s THR 7 CO -0.10 -0.24 0.89 0.29 -0.54 0.00 0.00 174.62 174.92 1h95 n LYS 8 N -0.75 -2.91 -4.31 3.99 5.02 -1.01 -4.94 118.16 113.25 1h95 n LYS 8 Ca -0.08 0.78 -0.28 0.00 -2.02 0.00 0.00 58.31 56.70 1h95 n LYS 8 Cb 0.56 -5.50 -0.11 0.00 -0.02 0.00 0.00 35.03 29.97 1h95 n LYS 8 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h95 s VAL 9 N -3.42 2.92 0.25 -0.18 1.01 0.15 -4.91 120.40 116.22 1h95 s VAL 9 Ca 0.36 -1.62 0.05 0.00 0.00 0.00 0.00 61.98 60.77 1h95 s VAL 9 Cb -0.07 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1h95 s VAL 9 CO 0.77 -0.01 -0.04 -0.76 0.00 0.00 0.00 175.10 175.06 1h95 s LEU 10 N -2.47 2.37 0.00 3.92 1.02 -1.26 -0.31 118.68 121.96 1h95 s LEU 10 Ca 0.21 -1.19 -0.09 0.00 0.02 0.00 0.00 54.13 53.08 1h95 s LEU 10 Cb -0.10 -0.48 0.03 0.00 0.02 0.00 0.00 46.19 45.66 1h95 s LEU 10 CO 0.12 -0.41 0.41 0.61 0.02 0.00 0.00 176.35 177.10 1h95 n GLY 11 N -0.50 1.01 3.32 -3.19 0.00 -1.19 -2.24 105.19 102.40 1h95 n GLY 11 Ca -0.06 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1h95 n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h95 s THR 12 N -2.36 2.73 0.25 2.61 2.01 -0.64 -3.30 115.64 116.94 1h95 s THR 12 Ca 0.09 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.16 1h95 s THR 12 Cb -0.01 -2.12 -0.08 0.00 0.01 0.00 0.00 72.50 70.29 1h95 s THR 12 CO 0.02 0.53 0.68 0.54 -0.69 0.00 0.00 174.62 175.70 1h95 s VAL 13 N 0.39 4.71 0.00 3.82 0.11 -0.94 -2.62 120.40 125.87 1h95 s VAL 13 Ca -0.13 0.96 0.00 0.00 -2.93 0.00 0.00 61.98 59.89 1h95 s VAL 13 Cb -0.16 -3.71 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1h95 s VAL 13 CO 0.06 0.02 0.00 0.29 -3.33 0.00 0.00 175.10 172.14 1h95 n LYS 14 N 0.18 0.00 -1.84 1.54 4.76 -1.26 -4.25 118.16 117.30 1h95 n LYS 14 Ca -0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1h95 n LYS 14 Cb 0.52 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.71 1h95 n LYS 14 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1h95 n TRP 15 N 0.00 -0.45 -4.48 2.13 -0.00 -1.26 -4.97 117.44 108.42 1h95 n TRP 15 Ca 0.00 -0.21 -0.23 0.00 -0.00 0.00 0.00 57.50 57.07 1h95 n TRP 15 Cb 0.00 0.04 -0.11 0.00 -0.00 0.00 0.00 31.31 31.25 1h95 n TRP 15 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 1h95 s PHE 16 N -4.42 2.10 -0.91 5.87 0.08 -1.26 -4.70 117.98 114.74 1h95 s PHE 16 Ca 0.03 -0.72 -0.20 0.00 0.12 0.00 0.00 56.93 56.16 1h95 s PHE 16 Cb -0.00 -1.28 0.11 0.00 -0.57 0.00 0.00 43.02 41.28 1h95 s PHE 16 CO 0.02 0.29 1.15 1.21 -0.10 0.00 0.00 175.22 177.79 1h95 s ASN 17 N -3.51 6.55 0.34 1.36 2.47 0.11 -4.90 114.94 117.36 1h95 s ASN 17 Ca 0.32 -1.81 0.10 0.00 0.42 0.00 0.00 52.86 51.89 1h95 s ASN 17 Cb 0.05 -2.43 0.60 0.00 -1.45 0.00 0.00 41.25 38.03 1h95 s ASN 17 CO 0.14 -1.18 1.77 -0.37 -3.72 0.00 0.00 177.10 173.74 1h95 h VAL 18 N 5.99 1.29 -0.57 -5.21 -1.51 -1.94 0.28 116.25 114.59 1h95 h VAL 18 Ca 0.10 -1.39 -0.02 0.00 -1.23 0.00 0.00 66.70 64.16 1h95 h VAL 18 Cb 1.03 1.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.85 1h95 h VAL 18 CO 1.16 0.41 0.29 -0.09 -1.23 0.00 0.00 177.57 178.11 1h95 h ARG 19 N 0.09 0.80 0.07 5.19 2.43 -1.95 -3.08 114.38 117.93 1h95 h ARG 19 Ca 0.01 -0.11 -0.35 0.00 -0.81 0.00 0.00 59.98 58.72 1h95 h ARG 19 Cb 0.73 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1h95 h ARG 19 CO 0.05 0.64 -2.00 0.09 -1.51 0.00 0.00 179.97 177.24 1h95 n ASN 20 N -4.57 1.62 0.00 -3.80 4.13 -1.23 -5.04 115.26 106.37 1h95 n ASN 20 Ca 0.03 0.21 0.00 0.00 1.68 0.00 0.00 54.58 56.51 1h95 n ASN 20 Cb 0.11 -0.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.88 1h95 n ASN 20 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1h95 n GLY 21 N 1.89 1.54 3.44 7.41 0.00 0.91 -5.00 105.19 115.37 1h95 n GLY 21 Ca -0.29 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 1h95 n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h95 s TYR 22 N -2.00 2.05 0.00 1.61 2.02 -0.78 -3.40 117.35 116.84 1h95 s TYR 22 Ca 0.00 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1h95 s TYR 22 Cb 0.00 -1.06 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 1h95 s TYR 22 CO 0.00 0.45 0.00 0.41 -1.57 0.00 0.00 175.55 174.84 1h95 n GLY 23 N -0.58 0.70 3.48 0.71 0.00 -1.02 0.10 105.19 108.58 1h95 n GLY 23 Ca -0.06 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 1h95 n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h95 s PHE 24 N -2.00 2.40 0.18 1.61 -0.71 -1.26 -0.23 117.98 117.97 1h95 s PHE 24 Ca 0.00 -0.31 0.05 0.00 -1.04 0.00 0.00 56.93 55.63 1h95 s PHE 24 Cb 0.00 -1.15 -0.04 0.00 -1.21 0.00 0.00 43.02 40.62 1h95 s PHE 24 CO 0.00 0.55 0.18 0.42 -1.34 0.00 0.00 175.22 175.03 1h95 s ILE 25 N -1.86 4.66 -0.51 -4.49 -1.09 -0.80 -4.70 121.20 112.40 1h95 s ILE 25 Ca 0.24 -1.06 -0.05 0.00 -2.23 0.00 0.00 60.65 57.56 1h95 s ILE 25 Cb -0.08 -3.41 0.13 0.00 -1.58 0.00 0.00 42.46 37.53 1h95 s ILE 25 CO 0.13 -0.15 0.34 0.20 -1.23 0.00 0.00 174.94 174.22 1h95 s ASN 26 N -3.27 5.43 0.35 3.58 0.02 -1.08 -2.94 114.94 117.03 1h95 s ASN 26 Ca 0.32 -2.28 -0.16 0.00 -1.02 0.00 0.00 52.86 49.71 1h95 s ASN 26 Cb -0.10 -1.90 -0.12 0.00 0.02 0.00 0.00 41.25 39.15 1h95 s ASN 26 CO 0.25 -0.53 0.02 -1.14 0.02 0.00 0.00 177.10 175.72 1h95 n ARG 27 N 4.30 0.00 0.00 -0.60 0.63 -1.26 -1.62 116.66 118.12 1h95 n ARG 27 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.98 1h95 n ARG 27 Cb 0.40 -0.81 0.22 0.00 0.45 0.00 0.00 32.46 32.72 1h95 n ARG 27 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1h95 n ASN 28 N 1.92 0.00 0.00 6.15 0.23 -0.95 -3.08 115.26 119.53 1h95 n ASN 28 Ca 0.08 0.26 0.00 0.00 -0.53 0.00 0.00 54.58 54.40 1h95 n ASN 28 Cb 0.34 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1h95 n ASN 28 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1h95 n ASP 29 N -1.35 0.00 -0.00 0.53 2.03 -1.26 -4.69 116.55 111.80 1h95 n ASP 29 Ca 0.04 0.06 0.01 0.00 0.52 0.00 0.00 54.79 55.41 1h95 n ASP 29 Cb 0.08 -0.07 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1h95 n ASP 29 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1h95 n THR 30 N -0.86 1.02 -3.10 5.18 5.66 -1.26 -4.99 114.28 115.92 1h95 n THR 30 Ca 0.00 -1.04 -0.04 0.00 -3.05 0.00 0.00 64.05 59.93 1h95 n THR 30 Cb 0.00 0.48 0.02 0.00 -1.55 0.00 0.00 70.33 69.27 1h95 n THR 30 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1h95 n LYS 31 N -0.53 -1.54 -4.16 1.09 4.01 -1.18 -5.03 118.16 110.82 1h95 n LYS 31 Ca 0.01 1.34 -0.23 0.00 -0.51 0.00 0.00 58.31 58.92 1h95 n LYS 31 Cb 0.28 -5.77 -0.05 0.00 -0.51 0.00 0.00 35.03 28.98 1h95 n LYS 31 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1h95 s GLU 32 N -3.34 2.75 -0.83 1.97 1.03 -1.26 -4.87 118.70 114.15 1h95 s GLU 32 Ca 0.11 -1.13 -0.23 0.00 0.03 0.00 0.00 54.97 53.76 1h95 s GLU 32 Cb -0.01 -2.47 0.07 0.00 -0.80 0.00 0.00 34.13 30.92 1h95 s GLU 32 CO 0.74 0.40 1.19 0.16 -1.33 0.00 0.00 175.26 176.43 1h95 s ASP 33 N -3.71 6.36 -0.33 0.83 -4.77 -1.26 -3.99 116.67 109.80 1h95 s ASP 33 Ca 0.32 -1.24 -0.06 0.00 -3.30 0.00 0.00 52.55 48.27 1h95 s ASP 33 Cb -0.08 -2.48 0.04 0.00 -1.09 0.00 0.00 42.92 39.31 1h95 s ASP 33 CO 0.23 -1.45 0.09 -0.69 0.70 0.00 0.00 175.17 174.05 1h95 s VAL 34 N 4.31 3.74 0.31 2.11 1.01 -1.15 -3.45 120.40 127.28 1h95 s VAL 34 Ca 0.33 -1.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1h95 s VAL 34 Cb -0.08 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.12 1h95 s VAL 34 CO 0.01 -0.14 0.76 -0.36 0.00 0.00 0.00 175.10 175.37 1h95 s PHE 35 N 1.40 3.43 -0.02 5.22 0.40 -0.79 -1.91 117.98 125.72 1h95 s PHE 35 Ca -0.01 1.30 0.01 0.00 -0.60 0.00 0.00 56.93 57.62 1h95 s PHE 35 Cb -0.19 -2.59 0.01 0.00 0.51 0.00 0.00 43.02 40.77 1h95 s PHE 35 CO 0.02 0.13 -0.02 0.08 0.70 0.00 0.00 175.22 176.13 1h95 s VAL 36 N -1.90 0.31 0.34 -0.44 1.01 0.68 -1.82 120.40 118.58 1h95 s VAL 36 Ca 0.52 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.53 1h95 s VAL 36 Cb -0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 1h95 s VAL 36 CO 0.18 0.14 0.06 -1.38 0.00 0.00 0.00 175.10 174.11 1h95 s HIS 37 N 0.58 2.61 0.29 5.22 -3.43 -1.26 -2.43 115.29 116.86 1h95 s HIS 37 Ca -0.06 -0.43 -0.00 0.00 -0.80 0.00 0.00 55.06 53.77 1h95 s HIS 37 Cb -0.09 -1.56 0.45 0.00 -1.43 0.00 0.00 32.58 29.94 1h95 s HIS 37 CO -0.01 0.42 1.85 1.96 -2.00 0.00 0.00 174.74 176.96 1h95 h GLN 38 N 1.70 0.78 0.00 -0.38 4.20 -1.93 -1.63 115.11 117.85 1h95 h GLN 38 Ca -0.43 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1h95 h GLN 38 Cb 1.25 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1h95 h GLN 38 CO 0.66 0.70 0.00 1.15 -0.67 0.00 0.00 178.83 180.67 1h95 h THR 39 N 0.75 0.00 0.00 -0.54 2.02 -1.97 -2.75 112.91 110.42 1h95 h THR 39 Ca 0.17 -0.74 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 1h95 h THR 39 Cb 0.27 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1h95 h THR 39 CO -0.00 0.00 -0.47 0.00 0.37 0.00 0.00 175.52 175.42 1h95 h ALA 40 N 2.01 0.88 -1.94 6.16 0.00 -1.64 -3.41 119.26 121.33 1h95 h ALA 40 Ca 0.00 -0.43 -0.57 0.00 0.00 0.00 0.00 54.91 53.91 1h95 h ALA 40 Cb 0.74 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1h95 h ALA 40 CO 0.00 0.59 0.96 0.42 0.00 0.00 0.00 179.25 181.22 1h95 s ILE 41 N -3.42 4.17 -0.14 0.00 1.01 -1.04 -0.88 121.20 120.90 1h95 s ILE 41 Ca 0.01 1.31 -0.03 0.00 0.00 0.00 0.00 60.65 61.94 1h95 s ILE 41 Cb 0.10 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1h95 s ILE 41 CO 0.72 -0.52 -0.02 -0.54 0.00 0.00 0.00 174.94 174.57 1h95 s LYS 42 N 4.17 3.47 -0.96 2.79 1.02 -0.74 -4.91 119.74 124.59 1h95 s LYS 42 Ca 0.55 -0.49 -0.21 0.00 0.02 0.00 0.00 55.97 55.85 1h95 s LYS 42 Cb -0.15 -2.88 0.10 0.00 -0.52 0.00 0.00 37.83 34.37 1h95 s LYS 42 CO 0.23 0.38 1.25 0.15 -0.92 0.00 0.00 175.35 176.44 1h95 s LYS 43 N 0.00 3.58 -0.12 1.68 1.02 -1.26 -4.70 119.74 119.95 1h95 s LYS 43 Ca 0.01 -1.48 -0.07 0.00 0.02 0.00 0.00 55.97 54.46 1h95 s LYS 43 Cb -0.13 -5.08 -0.02 0.00 -0.52 0.00 0.00 37.83 32.08 1h95 s LYS 43 CO 0.02 -1.95 -0.13 -0.97 -0.92 0.00 0.00 175.35 171.40 1h95 h ASN 44 N 9.24 0.00 -2.25 2.83 -1.24 -1.97 -3.43 115.58 118.77 1h95 h ASN 44 Ca 0.16 0.00 -0.61 0.00 0.71 0.00 0.00 56.30 56.56 1h95 h ASN 44 Cb 1.02 0.00 -0.41 0.00 0.73 0.00 0.00 38.32 39.66 1h95 h ASN 44 CO 1.24 0.64 -0.49 0.59 -1.29 0.00 0.00 177.43 178.12 1h95 n ASN 45 N -4.44 4.08 -4.57 1.15 3.02 -1.26 -5.06 115.26 108.17 1h95 n ASN 45 Ca -0.05 -3.48 -0.41 0.00 -0.03 0.00 0.00 54.58 50.61 1h95 n ASN 45 Cb 0.19 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 1h95 n ASN 45 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1h95 s PRO 46 N -2.66 3.20 0.15 3.52 0.04 -1.26 -4.59 135.00 133.40 1h95 s PRO 46 Ca 0.41 0.50 0.06 0.00 0.04 0.00 0.00 61.00 62.00 1h95 s PRO 46 Cb 0.16 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 1h95 s PRO 46 CO -0.02 -2.06 0.07 1.03 0.04 0.00 0.00 177.00 176.06 1h95 s ARG 47 N 5.76 2.70 0.00 4.56 1.81 -1.00 -4.96 118.95 127.81 1h95 s ARG 47 Ca 0.55 -0.93 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1h95 s ARG 47 Cb -0.12 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.84 1h95 s ARG 47 CO 0.24 0.49 0.00 1.63 -0.68 0.00 0.00 175.30 176.98 1h95 n LYS 48 N -0.12 0.00 -3.38 3.54 5.02 -1.26 -4.29 118.16 117.66 1h95 n LYS 48 Ca -0.09 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.04 1h95 n LYS 48 Cb 0.54 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.64 1h95 n LYS 48 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1h95 n TYR 49 N 0.00 -2.25 0.00 2.13 9.36 -1.26 -4.10 117.16 121.04 1h95 n TYR 49 Ca 0.00 0.92 0.00 0.00 3.32 0.00 0.00 57.90 62.14 1h95 n TYR 49 Cb 0.00 -4.86 0.00 0.00 -0.63 0.00 0.00 39.34 33.85 1h95 n TYR 49 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1h95 n LEU 50 N -3.91 0.00 -4.06 2.98 7.94 -1.26 -4.72 117.00 113.97 1h95 n LEU 50 Ca -0.24 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.51 1h95 n LEU 50 Cb 0.66 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.48 1h95 n LEU 50 CO 0.60 0.00 -0.42 -0.13 -1.11 0.00 0.00 177.39 176.34 1h95 s ARG 51 N 0.00 0.59 -0.09 1.96 0.52 -1.26 -5.08 118.95 115.59 1h95 s ARG 51 Ca 0.00 -0.63 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1h95 s ARG 51 Cb 0.00 -0.46 -0.02 0.00 0.52 0.00 0.00 34.95 35.00 1h95 s ARG 51 CO 0.00 0.10 -0.10 0.77 0.02 0.00 0.00 175.30 176.09 1h95 h SER 52 N 4.91 0.00 -5.65 0.23 0.02 -1.85 -3.48 113.55 107.73 1h95 h SER 52 Ca -0.35 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.17 1h95 h SER 52 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1h95 h SER 52 CO 0.43 0.47 -0.15 1.33 -1.14 0.00 0.00 176.83 177.77 1h95 n VAL 53 N -3.78 0.00 0.00 2.27 0.24 -1.26 -4.80 118.33 111.00 1h95 n VAL 53 Ca -0.04 -1.66 0.00 0.00 -2.04 0.00 0.00 64.34 60.60 1h95 n VAL 53 Cb 0.15 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.20 1h95 n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h95 n GLY 54 N -0.44 3.43 7.00 7.63 0.00 -1.26 -5.07 105.19 116.48 1h95 n GLY 54 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1h95 n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1h95 n ASP 55 N 0.00 0.00 -4.16 1.61 2.03 -1.26 -4.03 116.55 110.74 1h95 n ASP 55 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 1h95 n ASP 55 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1h95 n ASP 55 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1h95 s GLY 56 N -0.53 2.73 1.12 0.27 0.00 -1.26 -4.81 107.32 104.83 1h95 s GLY 56 Ca 0.00 -3.46 -0.13 0.00 0.00 0.00 0.00 44.72 41.13 1h95 s GLY 56 CO 0.00 1.17 1.05 -0.54 0.00 0.00 0.00 173.10 174.78 1h95 s GLU 57 N -0.43 -0.52 -0.09 2.90 0.41 -1.26 -4.58 118.70 115.14 1h95 s GLU 57 Ca 0.21 0.71 -0.12 0.00 -0.41 0.00 0.00 54.97 55.35 1h95 s GLU 57 Cb -0.14 -1.61 -0.05 0.00 -1.78 0.00 0.00 34.13 30.55 1h95 s GLU 57 CO -0.07 -3.42 0.30 0.95 -0.49 0.00 0.00 175.26 172.52 1h95 s THR 58 N -2.64 5.25 0.13 3.63 -4.23 -1.26 -2.22 115.64 114.31 1h95 s THR 58 Ca 0.67 0.57 0.09 0.00 -1.18 0.00 0.00 61.69 61.85 1h95 s THR 58 Cb -0.23 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 1h95 s THR 58 CO 0.62 0.53 -0.23 0.68 -0.54 0.00 0.00 174.62 175.68 1h95 s VAL 59 N -0.56 1.95 0.11 2.29 -7.23 -1.21 -4.61 120.40 111.15 1h95 s VAL 59 Ca 0.19 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 1h95 s VAL 59 Cb -0.14 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1h95 s VAL 59 CO 0.08 -0.05 0.25 -1.61 -0.31 0.00 0.00 175.10 173.45 1h95 s GLU 60 N -2.13 3.43 0.34 4.82 2.02 -1.26 -3.19 118.70 122.73 1h95 s GLU 60 Ca 0.11 -0.53 -0.15 0.00 0.02 0.00 0.00 54.97 54.42 1h95 s GLU 60 Cb -0.09 -2.99 0.06 0.00 0.10 0.00 0.00 34.13 31.20 1h95 s GLU 60 CO 0.06 0.56 0.78 1.97 0.02 0.00 0.00 175.26 178.64 1h95 n PHE 61 N -0.15 -2.15 -4.06 1.61 1.16 0.58 -1.47 117.46 112.97 1h95 n PHE 61 Ca -0.06 -1.67 -0.27 0.00 -1.87 0.00 0.00 57.45 53.58 1h95 n PHE 61 Cb 0.53 0.83 -0.05 0.00 -1.61 0.00 0.00 39.48 39.18 1h95 n PHE 61 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1h95 s ASP 62 N -3.00 5.61 -0.63 5.98 1.01 -0.80 0.29 116.67 125.14 1h95 s ASP 62 Ca 0.16 -0.09 -0.03 0.00 0.71 0.00 0.00 52.55 53.31 1h95 s ASP 62 Cb -0.04 -1.50 0.16 0.00 1.01 0.00 0.00 42.92 42.55 1h95 s ASP 62 CO 0.10 0.08 0.44 -0.69 0.21 0.00 0.00 175.17 175.31 1h95 s VAL 63 N -1.72 3.70 -0.63 -1.27 1.01 0.16 -3.90 120.40 117.75 1h95 s VAL 63 Ca 0.31 -2.99 0.01 0.00 0.00 0.00 0.00 61.98 59.31 1h95 s VAL 63 Cb -0.10 -3.41 0.16 0.00 0.00 0.00 0.00 36.38 33.02 1h95 s VAL 63 CO 0.24 -0.88 0.43 0.68 0.00 0.00 0.00 175.10 175.57 1h95 s VAL 64 N -0.10 3.30 -0.16 2.92 -7.23 -0.09 -1.83 120.40 117.21 1h95 s VAL 64 Ca 0.17 -3.38 -0.24 0.00 -1.81 0.00 0.00 61.98 56.72 1h95 s VAL 64 Cb -0.20 -3.18 -0.02 0.00 0.56 0.00 0.00 36.38 33.54 1h95 s VAL 64 CO -0.03 -0.89 0.78 -0.70 -0.31 0.00 0.00 175.10 173.94 1h95 s GLU 65 N -0.49 4.30 0.00 4.82 2.12 -1.26 -2.93 118.70 125.26 1h95 s GLU 65 Ca 0.19 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1h95 s GLU 65 Cb -0.19 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.65 1h95 s GLU 65 CO -0.05 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 1h95 n GLY 66 N 3.47 0.00 0.00 -1.50 0.00 -1.26 -2.01 105.19 103.89 1h95 n GLY 66 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1h95 n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h95 n GLU 67 N -2.41 2.20 0.06 1.61 -0.58 -1.26 -4.91 120.64 115.35 1h95 n GLU 67 Ca 0.00 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 1h95 n GLU 67 Cb 0.40 0.00 0.30 0.00 -0.57 0.00 0.00 31.44 31.57 1h95 n GLU 67 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1h95 n LYS 68 N 0.00 0.22 -3.70 3.49 5.02 -1.26 -4.91 118.16 117.02 1h95 n LYS 68 Ca 0.00 0.11 -0.05 0.00 -2.02 0.00 0.00 58.31 56.35 1h95 n LYS 68 Cb 0.00 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 1h95 n LYS 68 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1h95 s GLY 69 N -3.49 -0.29 0.57 0.72 0.00 -1.26 -5.14 107.32 98.44 1h95 s GLY 69 Ca 0.09 0.31 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 1h95 s GLY 69 CO 0.66 0.07 0.87 0.00 0.00 0.00 0.00 173.10 174.70 1h95 s ALA 70 N -3.27 3.39 0.26 3.20 0.00 -1.22 -4.48 121.76 119.64 1h95 s ALA 70 Ca 0.10 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1h95 s ALA 70 Cb -0.01 -2.50 0.01 0.00 0.00 0.00 0.00 23.12 20.62 1h95 s ALA 70 CO -0.00 -0.77 0.08 -0.85 0.00 0.00 0.00 175.76 174.22 1h95 n GLU 71 N -2.52 1.26 -3.84 0.00 0.28 -1.15 -1.88 120.64 112.80 1h95 n GLU 71 Ca 0.04 -1.80 -0.12 0.00 -0.16 0.00 0.00 57.16 55.13 1h95 n GLU 71 Cb 0.58 0.37 -0.11 0.00 1.43 0.00 0.00 31.44 33.71 1h95 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1h95 s ALA 72 N -2.42 -0.39 0.10 -1.84 0.00 -0.76 -0.92 121.76 115.53 1h95 s ALA 72 Ca 0.06 0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.23 1h95 s ALA 72 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1h95 s ALA 72 CO 0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 175.76 175.61 1h95 s ALA 73 N -0.64 0.92 -1.30 0.00 0.00 -1.25 -4.79 121.76 114.70 1h95 s ALA 73 Ca -0.07 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 1h95 s ALA 73 Cb -0.04 0.25 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1h95 s ALA 73 CO 0.01 -0.28 0.83 0.09 0.00 0.00 0.00 175.76 176.41 1h95 n ASN 74 N -0.03 -1.98 -4.79 0.00 3.02 -1.15 -1.90 115.26 108.43 1h95 n ASN 74 Ca -0.12 -0.75 -0.39 0.00 -0.03 0.00 0.00 54.58 53.30 1h95 n ASN 74 Cb 0.61 -4.39 -0.06 0.00 -0.61 0.00 0.00 39.78 35.34 1h95 n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h95 s VAL 75 N -3.54 4.70 0.00 2.41 1.01 -0.06 -4.48 120.40 120.45 1h95 s VAL 75 Ca 0.09 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1h95 s VAL 75 Cb -0.04 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1h95 s VAL 75 CO 0.79 0.51 0.00 0.35 0.00 0.00 0.00 175.10 176.75 1h95 n THR 76 N 1.94 0.00 -2.15 3.92 -2.24 -0.54 -1.79 114.28 113.42 1h95 n THR 76 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1h95 n THR 76 Cb 0.50 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1h95 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h95 n GLY 77 N 5.00 -1.65 0.13 3.38 0.00 -1.26 -4.56 105.19 106.23 1h95 n GLY 77 Ca 0.00 -1.10 -0.06 0.00 0.00 0.00 0.00 46.02 44.85 1h95 n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h95 h PRO 78 N 0.00 0.16 0.00 1.61 0.13 -1.87 -3.48 132.00 128.55 1h95 h PRO 78 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1h95 h PRO 78 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1h95 h PRO 78 CO 0.00 0.86 0.00 0.41 -0.23 0.00 0.00 178.00 179.04