#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h95 n LYS 2 N 0.00 0.00 -2.11 0.03 5.02 -1.26 -4.99 118.16 114.85 1h95 n LYS 2 Ca 0.00 0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 1h95 n LYS 2 Cb 0.00 -0.41 -0.03 0.00 -0.02 0.00 0.00 35.03 34.57 1h95 n LYS 2 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1h95 s LYS 3 N -0.35 4.30 -0.16 1.97 1.02 -1.26 -4.33 119.74 120.93 1h95 s LYS 3 Ca 0.00 2.14 -0.02 0.00 0.02 0.00 0.00 55.97 58.11 1h95 s LYS 3 Cb 0.00 -3.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1h95 s LYS 3 CO 0.00 -0.48 0.09 0.28 -0.92 0.00 0.00 175.35 174.32 1h95 n VAL 4 N 3.93 -6.54 0.00 3.17 0.31 -1.26 -4.96 118.33 112.97 1h95 n VAL 4 Ca 0.12 0.72 0.00 0.00 -0.01 0.00 0.00 64.34 65.17 1h95 n VAL 4 Cb 0.41 -5.43 0.00 0.00 -0.91 0.00 0.00 33.84 27.92 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 0.09 0.00 -3.87 2.52 -0.00 -0.87 -4.91 119.36 112.32 1h95 n ILE 5 Ca 0.02 0.40 -0.09 0.00 -0.00 0.00 0.00 62.75 63.08 1h95 n ILE 5 Cb 0.07 -1.20 -0.04 0.00 -0.00 0.00 0.00 39.64 38.47 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 -3.22 -0.74 -0.11 -1.39 0.00 -1.06 -5.01 121.76 110.24 1h95 s ALA 6 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1h95 s ALA 6 Cb 0.00 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 1h95 s ALA 6 CO 0.00 -0.88 -0.08 0.95 0.00 0.00 0.00 175.76 175.76 1h95 s THR 7 N -3.94 3.59 -0.57 0.00 -4.23 -1.26 -0.04 115.64 109.19 1h95 s THR 7 Ca 0.15 -0.49 -0.10 0.00 -1.18 0.00 0.00 61.69 60.07 1h95 s THR 7 Cb -0.02 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.32 1h95 s THR 7 CO 0.04 0.55 0.64 1.17 -0.54 0.00 0.00 174.62 176.48 1h95 n LYS 8 N 2.96 -1.92 -4.37 3.99 4.81 -1.14 -4.95 118.16 117.54 1h95 n LYS 8 Ca -0.18 1.83 -0.28 0.00 -0.87 0.00 0.00 58.31 58.81 1h95 n LYS 8 Cb 0.53 -5.58 -0.13 0.00 0.02 0.00 0.00 35.03 29.87 1h95 n LYS 8 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1h95 s VAL 9 N -2.75 2.15 0.38 3.15 1.01 0.20 -4.93 120.40 119.61 1h95 s VAL 9 Ca 0.14 -1.71 0.08 0.00 0.00 0.00 0.00 61.98 60.49 1h95 s VAL 9 Cb -0.04 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1h95 s VAL 9 CO 0.77 0.06 0.11 -0.76 0.00 0.00 0.00 175.10 175.28 1h95 s LEU 10 N -2.02 3.07 0.00 3.92 1.02 -1.26 -0.21 118.68 123.20 1h95 s LEU 10 Ca 0.12 -1.05 -0.09 0.00 0.02 0.00 0.00 54.13 53.14 1h95 s LEU 10 Cb -0.10 -1.39 0.03 0.00 0.02 0.00 0.00 46.19 44.75 1h95 s LEU 10 CO 0.06 -0.42 0.38 0.61 0.02 0.00 0.00 176.35 176.99 1h95 n GLY 11 N -1.12 0.32 3.32 -3.19 0.00 -0.74 -2.61 105.19 101.16 1h95 n GLY 11 Ca -0.02 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.01 2.62 0.25 2.61 2.01 -0.57 -1.96 115.64 118.59 1h95 s THR 12 Ca 0.09 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 1h95 s THR 12 Cb -0.00 -2.05 -0.10 0.00 0.01 0.00 0.00 72.50 70.36 1h95 s THR 12 CO -0.01 0.55 1.38 -0.69 -0.69 0.00 0.00 174.62 175.16 1h95 s VAL 13 N 0.20 2.83 -0.20 3.82 1.01 -0.55 -0.19 120.40 127.32 1h95 s VAL 13 Ca -0.11 0.71 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 1h95 s VAL 13 Cb -0.16 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1h95 s VAL 13 CO 0.06 0.12 -0.20 1.17 0.00 0.00 0.00 175.10 176.25 1h95 n LYS 14 N 2.15 0.53 -3.66 2.72 4.81 -0.90 -4.63 118.16 119.18 1h95 n LYS 14 Ca 0.05 0.38 -0.09 0.00 -0.87 0.00 0.00 58.31 57.78 1h95 n LYS 14 Cb 0.41 -1.58 -0.09 0.00 0.02 0.00 0.00 35.03 33.80 1h95 n LYS 14 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1h95 s TRP 15 N -2.54 -0.86 -0.24 5.64 -0.11 -1.05 -5.04 118.94 114.74 1h95 s TRP 15 Ca -0.27 1.77 -0.10 0.00 1.22 0.00 0.00 56.10 58.73 1h95 s TRP 15 Cb 0.06 0.47 -0.04 0.00 -1.50 0.00 0.00 33.47 32.45 1h95 s TRP 15 CO 0.41 -0.44 0.14 -0.06 -4.62 0.00 0.00 176.95 172.38 1h95 s PHE 16 N 1.46 3.23 -1.05 5.86 0.08 -1.26 -1.17 117.98 125.13 1h95 s PHE 16 Ca -0.09 0.05 -0.06 0.00 0.12 0.00 0.00 56.93 56.95 1h95 s PHE 16 Cb -0.06 -2.27 0.28 0.00 -0.57 0.00 0.00 43.02 40.40 1h95 s PHE 16 CO -0.16 -0.07 1.15 -1.71 -0.10 0.00 0.00 175.22 174.34 1h95 n ASN 17 N 4.52 5.50 0.00 1.36 5.15 0.24 -4.81 115.26 127.21 1h95 n ASN 17 Ca -0.15 -3.17 0.11 0.00 -0.60 0.00 0.00 54.58 50.77 1h95 n ASN 17 Cb 0.52 -1.27 0.56 0.00 -0.53 0.00 0.00 39.78 39.06 1h95 n ASN 17 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1h95 n VAL 18 N 2.16 0.31 0.21 3.44 0.31 -1.26 -0.94 118.33 122.56 1h95 n VAL 18 Ca 0.24 0.08 0.05 0.00 -0.01 0.00 0.00 64.34 64.70 1h95 n VAL 18 Cb 0.37 -0.68 0.46 0.00 -0.91 0.00 0.00 33.84 33.08 1h95 n VAL 18 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1h95 h ARG 19 N 0.00 0.01 0.00 5.55 2.43 -1.92 -3.37 114.38 117.07 1h95 h ARG 19 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1h95 h ARG 19 Cb 0.30 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1h95 h ARG 19 CO 0.00 0.23 -0.61 0.09 -1.51 0.00 0.00 179.97 178.17 1h95 n ASN 20 N -4.27 0.96 0.00 -3.80 4.13 -1.05 -5.10 115.26 106.13 1h95 n ASN 20 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 1h95 n ASN 20 Cb 0.28 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 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 2.53 -0.39 3.89 7.41 0.00 -0.12 -5.09 105.19 113.42 1h95 n GLY 21 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 2.95 0.22 1.61 2.02 -1.21 -3.99 117.35 118.96 1h95 s TYR 22 Ca 0.00 0.79 -0.14 0.00 -0.37 0.00 0.00 57.07 57.36 1h95 s TYR 22 Cb 0.00 -3.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 1h95 s TYR 22 CO 0.00 -1.77 0.46 0.20 -1.57 0.00 0.00 175.55 172.88 1h95 s GLY 23 N -4.51 0.35 -0.08 0.71 0.00 -0.31 -0.59 107.32 102.89 1h95 s GLY 23 Ca 0.62 -0.70 -0.09 0.00 0.00 0.00 0.00 44.72 44.55 1h95 s GLY 23 CO 0.50 -0.56 0.25 -0.11 0.00 0.00 0.00 173.10 173.18 1h95 s PHE 24 N -3.97 -0.24 0.28 1.90 -0.12 -0.32 -0.64 117.98 114.87 1h95 s PHE 24 Ca 0.18 0.58 0.09 0.00 -0.05 0.00 0.00 56.93 57.73 1h95 s PHE 24 Cb -0.00 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1h95 s PHE 24 CO 0.04 -0.17 0.00 0.42 -0.05 0.00 0.00 175.22 175.47 1h95 s ILE 25 N -0.10 3.34 -0.45 -4.49 -1.09 0.18 -2.11 121.20 116.47 1h95 s ILE 25 Ca -0.02 -1.91 -0.06 0.00 -2.23 0.00 0.00 60.65 56.42 1h95 s ILE 25 Cb -0.03 -2.84 0.12 0.00 -1.58 0.00 0.00 42.46 38.13 1h95 s ILE 25 CO 0.01 -0.35 0.28 0.20 -1.23 0.00 0.00 174.94 173.85 1h95 s ASN 26 N -3.69 5.50 0.31 3.58 -0.87 0.73 -1.92 114.94 118.59 1h95 s ASN 26 Ca 0.32 -1.99 -0.29 0.00 -1.57 0.00 0.00 52.86 49.34 1h95 s ASN 26 Cb -0.06 -1.93 -0.12 0.00 -0.02 0.00 0.00 41.25 39.12 1h95 s ASN 26 CO 0.20 -0.62 1.34 -1.14 -2.57 0.00 0.00 177.10 174.31 1h95 n ARG 27 N 4.74 2.15 -1.69 -0.60 0.00 -0.65 -1.51 116.66 119.10 1h95 n ARG 27 Ca -0.05 0.76 -0.17 0.00 -0.00 0.00 0.00 57.85 58.39 1h95 n ARG 27 Cb 0.41 -2.37 -0.09 0.00 0.00 0.00 0.00 32.46 30.41 1h95 n ARG 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1h95 s ASN 28 N -0.11 3.95 0.00 6.15 2.20 -1.07 -2.75 114.94 123.30 1h95 s ASN 28 Ca 0.59 -0.65 0.00 0.00 -0.94 0.00 0.00 52.86 51.86 1h95 s ASN 28 Cb -0.58 -2.58 0.00 0.00 -2.00 0.00 0.00 41.25 36.09 1h95 s ASN 28 CO 0.58 -4.05 0.00 -0.67 -2.94 0.00 0.00 177.10 170.03 1h95 n ASP 29 N 18.14 0.00 -1.49 3.54 2.03 -1.26 -4.95 116.55 132.56 1h95 n ASP 29 Ca 0.44 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.79 1h95 n ASP 29 Cb 0.45 0.19 0.02 0.00 -0.72 0.00 0.00 41.12 41.07 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 -1.58 0.04 -2.97 5.18 5.66 -1.26 -4.99 114.28 114.36 1h95 n THR 30 Ca 0.00 -1.05 -0.12 0.00 -3.05 0.00 0.00 64.05 59.83 1h95 n THR 30 Cb 0.00 0.98 0.01 0.00 -1.55 0.00 0.00 70.33 69.77 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 0.47 -2.38 -3.97 1.09 4.01 -1.23 -5.01 118.16 111.14 1h95 n LYS 31 Ca 0.06 2.05 -0.36 0.00 -0.51 0.00 0.00 58.31 59.55 1h95 n LYS 31 Cb 1.14 -4.81 -0.07 0.00 -0.51 0.00 0.00 35.03 30.78 1h95 n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1h95 s GLU 32 N -2.39 3.54 -0.48 1.97 0.41 -1.11 -4.85 118.70 115.80 1h95 s GLU 32 Ca 0.23 -0.22 -0.29 0.00 -0.41 0.00 0.00 54.97 54.28 1h95 s GLU 32 Cb -0.05 -3.15 0.03 0.00 -1.78 0.00 0.00 34.13 29.17 1h95 s GLU 32 CO 0.76 0.63 1.14 -0.51 -0.49 0.00 0.00 175.26 176.79 1h95 s ASP 33 N -0.62 6.63 -0.25 -0.19 1.11 -1.26 -1.63 116.67 120.46 1h95 s ASP 33 Ca 0.12 0.47 -0.04 0.00 0.18 0.00 0.00 52.55 53.28 1h95 s ASP 33 Cb -0.12 -2.55 0.01 0.00 1.07 0.00 0.00 42.92 41.33 1h95 s ASP 33 CO 0.02 -1.25 -0.01 -0.69 1.18 0.00 0.00 175.17 174.42 1h95 s VAL 34 N 4.46 3.42 0.15 -1.27 1.01 -0.81 -3.42 120.40 123.94 1h95 s VAL 34 Ca 0.48 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1h95 s VAL 34 Cb -0.07 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.57 1h95 s VAL 34 CO 0.32 0.26 0.59 -0.36 0.00 0.00 0.00 175.10 175.90 1h95 s PHE 35 N 1.44 3.64 -0.05 5.22 0.08 -0.21 -0.64 117.98 127.46 1h95 s PHE 35 Ca 0.03 1.15 0.01 0.00 0.12 0.00 0.00 56.93 58.24 1h95 s PHE 35 Cb -0.16 -2.43 0.02 0.00 -0.57 0.00 0.00 43.02 39.88 1h95 s PHE 35 CO -0.02 0.43 -0.06 0.08 -0.10 0.00 0.00 175.22 175.55 1h95 s VAL 36 N -1.43 0.68 0.22 -0.44 1.01 0.19 -1.85 120.40 118.77 1h95 s VAL 36 Ca 0.38 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 1h95 s VAL 36 Cb -0.16 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1h95 s VAL 36 CO 0.19 0.26 0.43 -2.28 0.00 0.00 0.00 175.10 173.70 1h95 s HIS 37 N 0.98 3.48 0.44 5.22 2.46 -1.26 -1.16 115.29 125.45 1h95 s HIS 37 Ca -0.10 0.39 0.24 0.00 0.47 0.00 0.00 55.06 56.07 1h95 s HIS 37 Cb -0.14 -1.89 1.38 0.00 -0.13 0.00 0.00 32.58 31.79 1h95 s HIS 37 CO 0.00 0.33 2.07 -0.56 -2.47 0.00 0.00 174.74 174.11 1h95 h GLN 38 N 1.89 0.00 0.00 2.88 -0.00 -1.95 -2.35 115.11 115.58 1h95 h GLN 38 Ca -0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.10 1h95 h GLN 38 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.66 1h95 h GLN 38 CO 0.67 0.12 -0.34 1.79 -0.00 0.00 0.00 178.83 181.07 1h95 h THR 39 N 0.00 0.98 0.00 1.86 1.35 -1.95 -3.16 112.91 111.99 1h95 h THR 39 Ca -0.00 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 1h95 h THR 39 Cb 0.30 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 1h95 h THR 39 CO 0.02 0.34 -0.18 0.00 -0.25 0.00 0.00 175.52 175.44 1h95 h ALA 40 N 1.66 0.91 -2.05 6.62 0.00 -1.79 -3.45 119.26 121.16 1h95 h ALA 40 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1h95 h ALA 40 Cb 0.73 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1h95 h ALA 40 CO 0.04 0.00 0.95 0.42 0.00 0.00 0.00 179.25 180.67 1h95 s ILE 41 N -3.23 4.16 -0.94 0.00 1.01 -1.20 -1.70 121.20 119.31 1h95 s ILE 41 Ca 0.06 1.36 -0.23 0.00 0.00 0.00 0.00 60.65 61.84 1h95 s ILE 41 Cb 0.06 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.55 1h95 s ILE 41 CO 0.69 -0.30 1.36 -0.54 0.00 0.00 0.00 174.94 176.14 1h95 s LYS 42 N 3.90 3.49 -0.06 2.79 1.02 -0.27 -4.96 119.74 125.65 1h95 s LYS 42 Ca 0.57 -0.99 -0.27 0.00 0.02 0.00 0.00 55.97 55.30 1h95 s LYS 42 Cb -0.20 -5.01 -0.03 0.00 -0.52 0.00 0.00 37.83 32.07 1h95 s LYS 42 CO 0.20 -2.13 0.85 0.15 -0.92 0.00 0.00 175.35 173.49 1h95 s LYS 43 N 4.86 4.46 0.00 1.68 1.02 -1.26 -4.67 119.74 125.82 1h95 s LYS 43 Ca 0.41 1.14 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1h95 s LYS 43 Cb -0.03 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 1h95 s LYS 43 CO -0.04 -0.08 0.00 0.09 -0.92 0.00 0.00 175.35 174.41 1h95 n ASN 44 N 4.17 2.26 -4.64 2.83 3.02 -1.26 -5.09 115.26 116.55 1h95 n ASN 44 Ca 0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.24 1h95 n ASN 44 Cb 0.51 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.58 1h95 n ASN 44 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1h95 s ASN 45 N -3.55 5.11 0.28 6.41 0.01 -1.26 -5.00 114.94 116.93 1h95 s ASN 45 Ca 0.00 0.08 0.26 0.00 -0.71 0.00 0.00 52.86 52.49 1h95 s ASN 45 Cb 0.00 -1.49 0.79 0.00 0.41 0.00 0.00 41.25 40.96 1h95 s ASN 45 CO 0.00 0.34 1.75 1.55 -1.51 0.00 0.00 177.10 179.23 1h95 h PRO 46 N 5.44 0.00 -6.26 -0.60 0.13 -2.03 -3.47 132.00 125.21 1h95 h PRO 46 Ca -0.47 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.21 1h95 h PRO 46 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h95 h PRO 46 CO 0.56 0.00 -0.39 1.03 -0.23 0.00 0.00 178.00 178.97 1h95 s ARG 47 N -3.19 3.24 3.23 0.86 0.52 -1.26 -4.99 118.95 117.37 1h95 s ARG 47 Ca 0.08 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1h95 s ARG 47 Cb 0.10 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1h95 s ARG 47 CO 0.57 0.23 0.00 1.63 0.02 0.00 0.00 175.30 177.75 1h95 n LYS 48 N -1.53 0.00 -3.48 3.54 5.02 -1.26 -5.00 118.16 115.45 1h95 n LYS 48 Ca -0.04 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.07 1h95 n LYS 48 Cb 0.58 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.61 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 -2.33 -0.13 2.13 9.36 -1.26 -5.03 117.16 119.89 1h95 n TYR 49 Ca 0.00 0.80 0.00 0.00 3.32 0.00 0.00 57.90 62.02 1h95 n TYR 49 Cb 0.00 -3.52 0.00 0.00 -0.63 0.00 0.00 39.34 35.19 1h95 n TYR 49 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1h95 n LEU 50 N -2.93 0.00 0.05 2.98 4.77 -1.26 -5.03 117.00 115.58 1h95 n LEU 50 Ca -0.12 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.83 1h95 n LEU 50 Cb 0.59 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1h95 n LEU 50 CO 0.61 0.00 0.11 -0.09 -1.33 0.00 0.00 177.39 176.69 1h95 h ARG 51 N 0.00 -0.18 -6.95 3.23 2.43 -2.07 -3.46 114.38 107.39 1h95 h ARG 51 Ca 0.00 0.01 -0.47 0.00 -0.81 0.00 0.00 59.98 58.71 1h95 h ARG 51 Cb 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1h95 h ARG 51 CO 0.00 -0.12 0.39 -1.12 -1.51 0.00 0.00 179.97 177.61 1h95 s SER 52 N -4.37 6.95 0.22 -3.80 0.01 -1.26 -5.05 113.70 106.40 1h95 s SER 52 Ca -0.03 1.95 0.06 0.00 1.31 0.00 0.00 55.95 59.25 1h95 s SER 52 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1h95 s SER 52 CO 0.08 -0.35 0.15 0.68 0.41 0.00 0.00 173.24 174.21 1h95 s VAL 53 N -1.69 4.36 0.23 3.43 -7.23 -1.26 -5.04 120.40 113.20 1h95 s VAL 53 Ca 0.56 -1.32 -0.22 0.00 -1.81 0.00 0.00 61.98 59.19 1h95 s VAL 53 Cb -0.20 -3.30 -0.09 0.00 0.56 0.00 0.00 36.38 33.36 1h95 s VAL 53 CO 0.25 -0.25 0.78 -0.83 -0.31 0.00 0.00 175.10 174.75 1h95 s GLY 54 N -3.51 2.71 -0.25 2.32 0.00 -1.26 -5.01 107.32 102.32 1h95 s GLY 54 Ca 0.32 0.28 -0.29 0.00 0.00 0.00 0.00 44.72 45.03 1h95 s GLY 54 CO 0.24 0.69 1.23 0.51 0.00 0.00 0.00 173.10 175.76 1h95 s ASP 55 N -1.55 6.85 -0.81 1.64 -4.77 -1.26 -3.80 116.67 112.97 1h95 s ASP 55 Ca 0.43 1.36 -0.02 0.00 -3.30 0.00 0.00 52.55 51.02 1h95 s ASP 55 Cb -0.18 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.08 1h95 s ASP 55 CO 0.23 -0.90 0.69 0.61 0.70 0.00 0.00 175.17 176.50 1h95 n GLY 56 N 3.91 -0.37 3.79 2.12 0.00 -1.26 -5.01 105.19 108.37 1h95 n GLY 56 Ca 0.14 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1h95 n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h95 s GLU 57 N -4.48 3.58 -0.02 1.61 -1.05 -1.25 -4.72 118.70 112.37 1h95 s GLU 57 Ca 0.17 1.42 -0.04 0.00 -0.15 0.00 0.00 54.97 56.37 1h95 s GLU 57 Cb -0.02 -2.06 -0.04 0.00 -0.44 0.00 0.00 34.13 31.57 1h95 s GLU 57 CO 0.53 -0.63 0.19 0.99 0.95 0.00 0.00 175.26 177.29 1h95 s THR 58 N -1.99 5.42 0.11 1.83 2.01 -1.26 -1.48 115.64 120.28 1h95 s THR 58 Ca 0.68 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.58 1h95 s THR 58 Cb -0.19 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1h95 s THR 58 CO 0.25 0.37 0.12 0.68 -0.69 0.00 0.00 174.62 175.34 1h95 s VAL 59 N -1.29 0.13 0.16 3.82 -7.23 -0.83 -4.57 120.40 110.59 1h95 s VAL 59 Ca 0.26 -1.63 0.08 0.00 -1.81 0.00 0.00 61.98 58.88 1h95 s VAL 59 Cb -0.13 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1h95 s VAL 59 CO 0.17 -0.58 -0.08 -1.83 -0.31 0.00 0.00 175.10 172.46 1h95 s GLU 60 N -3.97 2.12 0.22 4.82 -1.05 -0.15 -1.79 118.70 118.91 1h95 s GLU 60 Ca 0.15 -1.20 -0.22 0.00 -0.15 0.00 0.00 54.97 53.55 1h95 s GLU 60 Cb 0.06 -2.22 0.06 0.00 -0.44 0.00 0.00 34.13 31.59 1h95 s GLU 60 CO -0.04 0.45 0.90 -0.59 0.95 0.00 0.00 175.26 176.94 1h95 s PHE 61 N -1.61 -0.07 0.25 4.83 -0.12 0.71 -1.94 117.98 120.03 1h95 s PHE 61 Ca 0.25 -0.34 -0.06 0.00 -0.05 0.00 0.00 56.93 56.72 1h95 s PHE 61 Cb -0.09 0.69 -0.06 0.00 -0.63 0.00 0.00 43.02 42.93 1h95 s PHE 61 CO 0.15 -1.03 0.53 -0.51 -0.05 0.00 0.00 175.22 174.31 1h95 s ASP 62 N -3.04 6.51 -0.41 1.98 1.01 -0.74 0.59 116.67 122.56 1h95 s ASP 62 Ca 0.14 0.76 -0.04 0.00 0.71 0.00 0.00 52.55 54.12 1h95 s ASP 62 Cb -0.03 -2.16 0.11 0.00 1.01 0.00 0.00 42.92 41.85 1h95 s ASP 62 CO 0.05 -0.12 0.22 -0.69 0.21 0.00 0.00 175.17 174.83 1h95 s VAL 63 N -1.94 3.43 -0.06 -1.27 1.01 0.94 -3.86 120.40 118.66 1h95 s VAL 63 Ca 0.45 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 60.47 1h95 s VAL 63 Cb -0.11 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1h95 s VAL 63 CO 0.26 -0.67 -0.06 0.68 0.00 0.00 0.00 175.10 175.32 1h95 s VAL 64 N 1.19 0.68 0.14 2.92 -7.23 -0.19 -2.05 120.40 115.85 1h95 s VAL 64 Ca 0.07 -0.19 -0.03 0.00 -1.81 0.00 0.00 61.98 60.02 1h95 s VAL 64 Cb -0.23 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 1h95 s VAL 64 CO -0.03 0.26 0.36 -0.70 -0.31 0.00 0.00 175.10 174.68 1h95 s GLU 65 N 1.00 3.58 0.06 4.82 2.12 -1.26 -0.03 118.70 128.98 1h95 s GLU 65 Ca -0.09 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.06 1h95 s GLU 65 Cb -0.14 -2.87 0.00 0.00 0.26 0.00 0.00 34.13 31.38 1h95 s GLU 65 CO -0.00 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 1h95 n GLY 66 N -0.02 -1.12 0.00 -1.50 0.00 -1.24 -4.89 105.19 96.42 1h95 n GLY 66 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1h95 n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1h95 n GLU 67 N -2.64 3.38 0.30 1.61 0.28 -1.26 -4.89 120.64 117.41 1h95 n GLU 67 Ca 0.00 0.00 0.18 0.00 -0.16 0.00 0.00 57.16 57.18 1h95 n GLU 67 Cb 0.00 0.00 0.95 0.00 1.43 0.00 0.00 31.44 33.82 1h95 n GLU 67 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 1h95 h LYS 68 N 0.00 0.00 0.00 3.44 2.10 -2.01 -3.45 116.57 116.66 1h95 h LYS 68 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1h95 h LYS 68 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1h95 h LYS 68 CO 0.00 0.03 0.00 0.41 -2.00 0.00 0.00 179.45 177.89 1h95 n GLY 69 N -0.85 3.51 3.93 0.07 0.00 -1.26 -5.15 105.19 105.43 1h95 n GLY 69 Ca -0.02 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 1h95 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h95 s ALA 70 N -1.61 3.58 0.00 4.61 0.00 -1.22 -3.67 121.76 123.44 1h95 s ALA 70 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1h95 s ALA 70 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 23.12 20.80 1h95 s ALA 70 CO 0.00 -0.27 0.00 -0.85 0.00 0.00 0.00 175.76 174.64 1h95 n GLU 71 N -2.07 2.25 -3.92 0.00 0.28 0.96 -1.04 120.64 117.09 1h95 n GLU 71 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.90 1h95 n GLU 71 Cb 0.56 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.34 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 -2.00 -0.07 0.18 -1.84 0.00 -0.77 -1.03 121.76 116.24 1h95 s ALA 72 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.39 1h95 s ALA 72 Cb 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1h95 s ALA 72 CO 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 175.76 175.46 1h95 s ALA 73 N -2.81 1.32 -0.79 0.00 0.00 -1.25 -4.80 121.76 113.42 1h95 s ALA 73 Ca -0.03 -1.63 -0.17 0.00 0.00 0.00 0.00 51.96 50.13 1h95 s ALA 73 Cb 0.00 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.90 1h95 s ALA 73 CO -0.05 -0.40 0.47 0.27 0.00 0.00 0.00 175.76 176.05 1h95 n ASN 74 N -0.26 -3.14 -4.41 0.00 2.04 -1.26 -1.80 115.26 106.45 1h95 n ASN 74 Ca -0.04 -0.88 -0.44 0.00 -0.44 0.00 0.00 54.58 52.78 1h95 n ASN 74 Cb 0.64 -1.15 -0.04 0.00 -2.53 0.00 0.00 39.78 36.70 1h95 n ASN 74 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1h95 s VAL 75 N -3.53 4.69 0.19 3.53 1.01 -0.69 -4.23 120.40 121.37 1h95 s VAL 75 Ca 0.24 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1h95 s VAL 75 Cb -0.13 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 1h95 s VAL 75 CO 0.69 -1.28 0.01 -0.89 0.00 0.00 0.00 175.10 173.63 1h95 s THR 76 N 3.00 3.71 0.07 3.92 2.01 -0.82 -1.12 115.64 126.42 1h95 s THR 76 Ca 0.18 -1.49 0.02 0.00 0.31 0.00 0.00 61.69 60.71 1h95 s THR 76 Cb -0.18 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 1h95 s THR 76 CO 0.04 -0.16 -0.07 -0.83 -0.69 0.00 0.00 174.62 172.92 1h95 s GLY 77 N -3.09 0.63 0.98 4.40 0.00 -1.26 -0.97 107.32 108.01 1h95 s GLY 77 Ca 0.28 -1.06 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 1h95 s GLY 77 CO 0.19 -1.14 1.33 2.56 0.00 0.00 0.00 173.10 176.04 1h95 s PRO 78 N -2.76 0.49 0.00 2.90 0.04 -1.26 -5.06 135.00 129.35 1h95 s PRO 78 Ca 0.01 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.61 1h95 s PRO 78 Cb -0.02 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1h95 s PRO 78 CO -0.03 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 174.91