#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n SER 5 N 0.00 0.00 0.00 2.55 7.64 -1.26 -4.91 113.62 117.64 3cf5 n SER 5 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3cf5 n SER 5 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3cf5 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cf5 n ALA 6 N 8.23 0.00 -0.83 -0.43 0.00 -1.26 -4.85 120.51 121.37 3cf5 n ALA 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3cf5 n ALA 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3cf5 n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 7 N 1.14 0.00 0.07 0.00 0.00 -1.26 -4.59 105.19 100.55 3cf5 n GLY 7 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3cf5 n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cf5 n SER 8 N 0.29 0.09 0.03 1.61 3.41 -1.26 -4.17 113.62 113.62 3cf5 n SER 8 Ca 0.00 0.04 0.15 0.00 -0.26 0.00 0.00 58.87 58.80 3cf5 n SER 8 Cb 0.00 1.20 0.23 0.00 -0.26 0.00 0.00 64.21 65.37 3cf5 n SER 8 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3cf5 n HIS 9 N -2.63 0.00 -0.02 7.33 8.25 -1.26 0.38 115.22 127.28 3cf5 n HIS 9 Ca -0.22 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.32 3cf5 n HIS 9 Cb 0.96 -0.14 -0.17 0.00 1.12 0.00 0.00 29.99 31.77 3cf5 n HIS 9 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3cf5 n HIS 10 N -2.85 0.00 -1.83 4.41 8.25 -1.26 -5.04 115.22 116.91 3cf5 n HIS 10 Ca 0.12 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3cf5 n HIS 10 Cb 1.26 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.83 3cf5 n HIS 10 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3cf5 n ASN 11 N -2.30 -3.25 -0.41 0.41 4.05 1.24 -4.16 115.26 110.84 3cf5 n ASN 11 Ca -0.07 -0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.96 3cf5 n ASN 11 Cb 0.62 -1.93 0.00 0.00 1.23 0.00 0.00 39.78 39.70 3cf5 n ASN 11 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3cf5 n ASP 12 N -1.11 0.00 -3.99 1.20 5.68 -1.26 -4.76 116.55 112.31 3cf5 n ASP 12 Ca 0.00 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.03 3cf5 n ASP 12 Cb 0.47 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.28 3cf5 n ASP 12 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3cf5 s LYS 13 N -0.53 1.74 -0.23 0.11 1.02 -1.26 -4.80 119.74 115.79 3cf5 s LYS 13 Ca 0.00 -0.39 -0.11 0.00 0.02 0.00 0.00 55.97 55.49 3cf5 s LYS 13 Cb 0.00 -1.56 -0.05 0.00 -0.52 0.00 0.00 37.83 35.70 3cf5 s LYS 13 CO 0.00 -0.10 0.20 -0.51 -0.92 0.00 0.00 175.35 174.02 3cf5 s LEU 14 N 1.10 4.13 -0.64 3.17 1.43 -1.26 -4.98 118.68 121.63 3cf5 s LEU 14 Ca -0.06 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 3cf5 s LEU 14 Cb -0.14 -2.18 0.04 0.00 0.03 0.00 0.00 46.19 43.94 3cf5 s LEU 14 CO -0.02 0.05 2.77 0.00 0.23 0.00 0.00 176.35 179.39 3cf5 n HIS 15 N 4.24 1.69 0.00 0.29 1.44 -1.26 -4.85 115.22 116.77 3cf5 n HIS 15 Ca -0.14 -2.13 0.00 0.00 -2.01 0.00 0.00 57.72 53.44 3cf5 n HIS 15 Cb 0.52 -1.54 0.00 0.00 0.12 0.00 0.00 29.99 29.09 3cf5 n HIS 15 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 3cf5 n PHE 16 N 1.30 0.00 -3.42 -1.40 1.16 -1.26 -4.52 117.46 109.32 3cf5 n PHE 16 Ca 0.52 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.85 3cf5 n PHE 16 Cb 0.51 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.36 3cf5 n PHE 16 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 3cf5 s LYS 17 N -2.00 3.51 0.00 3.97 1.02 -1.26 -4.92 119.74 120.06 3cf5 s LYS 17 Ca 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.70 3cf5 s LYS 17 Cb 0.00 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.62 3cf5 s LYS 17 CO 0.00 0.20 0.50 0.36 -0.92 0.00 0.00 175.35 175.48 3cf5 n LYS 18 N -1.51 0.00 0.00 1.68 0.00 -1.26 -2.04 118.16 115.03 3cf5 n LYS 18 Ca -0.04 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 3cf5 n LYS 18 Cb 0.56 -1.52 0.00 0.00 -0.00 0.00 0.00 35.03 34.07 3cf5 n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3cf5 n GLY 19 N -1.00 0.75 3.66 2.58 0.00 -1.26 -2.96 105.19 106.96 3cf5 n GLY 19 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3cf5 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf5 s ASP 20 N -1.04 2.84 0.16 1.61 -0.00 -0.87 -4.08 116.67 115.29 3cf5 s ASP 20 Ca 0.00 1.92 -0.04 0.00 -0.00 0.00 0.00 52.55 54.42 3cf5 s ASP 20 Cb 0.00 -2.46 -0.05 0.00 -0.00 0.00 0.00 42.92 40.41 3cf5 s ASP 20 CO 0.00 -3.11 0.39 -0.89 -0.00 0.00 0.00 175.17 171.56 3cf5 s THR 21 N -2.69 5.17 0.06 -1.27 2.01 -1.26 0.18 115.64 117.83 3cf5 s THR 21 Ca 0.66 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.51 3cf5 s THR 21 Cb -0.22 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.67 3cf5 s THR 21 CO 0.59 -0.01 0.29 -0.69 -0.69 0.00 0.00 174.62 174.11 3cf5 s VAL 22 N -1.71 0.09 -0.16 3.82 1.01 -0.05 -3.77 120.40 119.62 3cf5 s VAL 22 Ca 0.41 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3cf5 s VAL 22 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3cf5 s VAL 22 CO 0.25 -0.41 0.02 0.27 0.00 0.00 0.00 175.10 175.23 3cf5 s ILE 23 N -2.82 4.41 -1.26 2.22 -5.25 -1.21 -2.48 121.20 114.80 3cf5 s ILE 23 Ca -0.03 -0.18 -0.18 0.00 -0.99 0.00 0.00 60.65 59.28 3cf5 s ILE 23 Cb 0.00 -2.96 0.08 0.00 2.95 0.00 0.00 42.46 42.54 3cf5 s ILE 23 CO -0.05 0.49 1.66 -0.69 -1.79 0.00 0.00 174.94 174.56 3cf5 s VAL 24 N 0.27 4.25 0.80 8.37 1.01 0.17 0.41 120.40 135.68 3cf5 s VAL 24 Ca 0.01 -1.93 -0.10 0.00 0.00 0.00 0.00 61.98 59.96 3cf5 s VAL 24 Cb -0.13 -5.14 0.11 0.00 0.00 0.00 0.00 36.38 31.22 3cf5 s VAL 24 CO 0.01 -1.96 1.14 -1.48 0.00 0.00 0.00 175.10 172.81 3cf5 s LEU 25 N 3.88 2.73 0.49 3.92 -0.00 -1.25 0.23 118.68 128.69 3cf5 s LEU 25 Ca 0.51 0.39 0.00 0.00 -0.00 0.00 0.00 54.13 55.03 3cf5 s LEU 25 Cb 0.03 -2.80 0.00 0.00 -0.00 0.00 0.00 46.19 43.42 3cf5 s LEU 25 CO 0.05 -2.01 0.00 -0.24 -0.00 0.00 0.00 176.35 174.15 3cf5 n SER 26 N -3.24 -7.54 -1.14 1.48 2.88 -1.26 -4.20 113.62 100.62 3cf5 n SER 26 Ca 0.11 1.33 0.15 0.00 -1.33 0.00 0.00 58.87 59.12 3cf5 n SER 26 Cb 0.60 -4.68 -0.05 0.00 -0.75 0.00 0.00 64.21 59.34 3cf5 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cf5 n GLY 27 N -1.57 -2.27 3.68 0.46 0.00 -1.26 -4.55 105.19 99.68 3cf5 n GLY 27 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 3cf5 n GLY 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cf5 s LYS 28 N -2.67 1.09 0.00 1.61 2.20 -1.26 -3.32 119.74 117.38 3cf5 s LYS 28 Ca 0.00 1.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 3cf5 s LYS 28 Cb 0.00 -1.77 0.00 0.00 -1.51 0.00 0.00 37.83 34.55 3cf5 s LYS 28 CO 0.00 -2.43 0.00 0.72 -0.36 0.00 0.00 175.35 173.28 3cf5 n HIS 29 N -4.05 0.00 -1.60 4.03 8.25 -1.26 -4.96 115.22 115.63 3cf5 n HIS 29 Ca 0.08 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 57.06 3cf5 n HIS 29 Cb 0.54 -0.41 -0.04 0.00 1.12 0.00 0.00 29.99 31.20 3cf5 n HIS 29 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3cf5 n LYS 30 N -3.00 1.38 0.00 -0.41 5.02 -1.15 -0.49 118.16 119.51 3cf5 n LYS 30 Ca 0.00 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 3cf5 n LYS 30 Cb 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 3cf5 n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cf5 n GLY 31 N 2.01 1.08 3.75 0.72 0.00 0.64 -4.88 105.19 108.51 3cf5 n GLY 31 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 3cf5 n GLY 31 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cf5 s GLN 32 N 0.00 3.07 0.39 1.61 0.74 0.35 -4.40 119.66 121.43 3cf5 s GLN 32 Ca 0.00 2.16 0.05 0.00 0.05 0.00 0.00 55.36 57.61 3cf5 s GLN 32 Cb 0.00 -2.18 -0.02 0.00 1.10 0.00 0.00 33.01 31.91 3cf5 s GLN 32 CO 0.00 -1.22 0.17 -2.37 -0.55 0.00 0.00 175.29 171.32 3cf5 n THR 33 N -1.17 0.00 0.00 -0.34 5.66 -1.26 0.46 114.28 117.63 3cf5 n THR 33 Ca 0.11 -2.39 0.00 0.00 -3.05 0.00 0.00 64.05 58.73 3cf5 n THR 33 Cb 0.46 0.92 0.00 0.00 -1.55 0.00 0.00 70.33 70.16 3cf5 n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3cf5 n GLY 34 N -0.78 2.00 3.77 1.09 0.00 -1.04 -4.35 105.19 105.88 3cf5 n GLY 34 Ca -0.03 -1.10 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 3cf5 n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cf5 s LYS 35 N -2.00 4.21 0.57 1.61 2.20 -1.26 -0.87 119.74 124.19 3cf5 s LYS 35 Ca 0.00 1.72 -0.18 0.00 -0.36 0.00 0.00 55.97 57.16 3cf5 s LYS 35 Cb 0.00 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 3cf5 s LYS 35 CO 0.00 -0.16 1.09 0.08 -0.36 0.00 0.00 175.35 176.01 3cf5 s VAL 36 N -1.45 3.43 0.00 4.02 1.01 0.13 -3.28 120.40 124.26 3cf5 s VAL 36 Ca 0.55 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3cf5 s VAL 36 Cb -0.28 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3cf5 s VAL 36 CO 0.35 -0.29 0.00 0.18 0.00 0.00 0.00 175.10 175.34 3cf5 n LEU 37 N -1.66 0.24 -3.68 3.92 4.77 0.35 -4.21 117.00 116.73 3cf5 n LEU 37 Ca 0.10 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.82 3cf5 n LEU 37 Cb 0.52 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.44 3cf5 n LEU 37 CO 0.44 0.04 -0.35 -0.76 -1.33 0.00 0.00 177.39 175.43 3cf5 s LEU 38 N -2.31 0.76 -0.71 2.23 1.43 -1.14 -4.88 118.68 114.05 3cf5 s LEU 38 Ca 0.00 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 3cf5 s LEU 38 Cb 0.00 -0.42 0.15 0.00 0.03 0.00 0.00 46.19 45.94 3cf5 s LEU 38 CO 0.00 -0.32 0.77 0.00 0.23 0.00 0.00 176.35 177.03 3cf5 s ALA 39 N 1.99 3.64 -0.79 4.21 0.00 -1.26 -1.30 121.76 128.26 3cf5 s ALA 39 Ca 0.01 -2.69 -0.09 0.00 0.00 0.00 0.00 51.96 49.19 3cf5 s ALA 39 Cb -0.16 -3.58 0.20 0.00 0.00 0.00 0.00 23.12 19.58 3cf5 s ALA 39 CO -0.08 -2.39 0.69 -0.51 0.00 0.00 0.00 175.76 173.46 3cf5 s LEU 40 N 1.79 6.15 0.11 0.00 1.43 0.15 -4.93 118.68 123.38 3cf5 s LEU 40 Ca 0.16 -2.88 -0.31 0.00 -1.03 0.00 0.00 54.13 50.06 3cf5 s LEU 40 Cb -0.18 -2.07 -0.11 0.00 0.03 0.00 0.00 46.19 43.86 3cf5 s LEU 40 CO -0.01 -0.46 1.59 1.55 0.23 0.00 0.00 176.35 179.25 3cf5 h PRO 41 N 7.33 -0.68 0.69 1.29 0.13 -1.93 0.57 132.00 139.40 3cf5 h PRO 41 Ca 0.08 0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 3cf5 h PRO 41 Cb 0.98 0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3cf5 h PRO 41 CO 0.76 -0.45 -0.40 0.00 -0.23 0.00 0.00 178.00 177.68 3cf5 h ARG 42 N -0.70 -0.98 0.00 0.86 3.08 -1.89 -2.92 114.38 111.83 3cf5 h ARG 42 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3cf5 h ARG 42 Cb 0.70 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3cf5 h ARG 42 CO -0.19 -0.65 0.00 -0.25 -1.07 0.00 0.00 179.97 177.81 3cf5 n ASP 43 N -5.54 0.00 -3.35 7.04 8.00 -1.24 -4.32 116.55 117.14 3cf5 n ASP 43 Ca -0.14 -0.01 -0.16 0.00 0.71 0.00 0.00 54.79 55.19 3cf5 n ASP 43 Cb 0.43 -0.31 0.08 0.00 -0.02 0.00 0.00 41.12 41.30 3cf5 n ASP 43 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3cf5 n GLN 44 N -1.31 -4.78 -5.09 -1.24 -0.06 0.21 -4.79 117.38 100.33 3cf5 n GLN 44 Ca 0.11 0.86 -0.32 0.00 -2.00 0.00 0.00 57.00 55.65 3cf5 n GLN 44 Cb 0.21 -5.84 -0.15 0.00 -4.06 0.00 0.00 30.24 20.39 3cf5 n GLN 44 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3cf5 s LYS 45 N -4.95 2.72 -0.04 3.69 -0.14 0.17 -3.40 119.74 117.79 3cf5 s LYS 45 Ca 0.19 -0.82 0.03 0.00 -1.36 0.00 0.00 55.97 54.02 3cf5 s LYS 45 Cb -0.03 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 3cf5 s LYS 45 CO 0.73 0.39 -0.13 0.08 -0.76 0.00 0.00 175.35 175.66 3cf5 s VAL 46 N -0.17 1.16 -0.45 3.17 1.01 0.32 0.31 120.40 125.75 3cf5 s VAL 46 Ca -0.02 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.40 3cf5 s VAL 46 Cb -0.14 -1.02 0.12 0.00 0.00 0.00 0.00 36.38 35.35 3cf5 s VAL 46 CO 0.04 0.35 0.22 -0.69 0.00 0.00 0.00 175.10 175.01 3cf5 s VAL 47 N 0.21 3.02 -0.11 2.92 1.01 -0.42 -1.78 120.40 125.26 3cf5 s VAL 47 Ca -0.06 -2.51 -0.02 0.00 0.00 0.00 0.00 61.98 59.39 3cf5 s VAL 47 Cb -0.11 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3cf5 s VAL 47 CO 0.02 -0.72 -0.02 -0.69 0.00 0.00 0.00 175.10 173.69 3cf5 s VAL 48 N 0.62 4.13 -0.78 2.92 1.01 -1.26 0.13 120.40 127.17 3cf5 s VAL 48 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3cf5 s VAL 48 Cb -0.22 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.40 3cf5 s VAL 48 CO -0.04 0.56 0.52 -0.62 0.00 0.00 0.00 175.10 175.52 3cf5 n GLU 49 N 2.63 0.00 0.00 2.72 1.02 -1.21 -3.93 120.64 121.87 3cf5 n GLU 49 Ca -0.18 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3cf5 n GLU 49 Cb 0.53 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3cf5 n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cf5 n GLY 50 N -1.02 -1.97 3.60 0.62 0.00 -1.26 -4.79 105.19 100.37 3cf5 n GLY 50 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 3cf5 n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cf5 n VAL 51 N 0.00 1.58 -4.75 1.61 0.31 -1.25 -5.00 118.33 110.82 3cf5 n VAL 51 Ca 0.00 -0.39 -0.33 0.00 -0.01 0.00 0.00 64.34 63.61 3cf5 n VAL 51 Cb 0.00 -1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 31.81 3cf5 n VAL 51 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3cf5 s ASN 52 N -0.29 4.02 -0.14 4.52 3.84 -1.26 -3.77 114.94 121.85 3cf5 s ASN 52 Ca 0.63 -1.69 -0.29 0.00 0.21 0.00 0.00 52.86 51.73 3cf5 s ASN 52 Cb -0.73 0.61 0.09 0.00 -0.55 0.00 0.00 41.25 40.67 3cf5 s ASN 52 CO 0.57 -0.90 0.82 -0.69 -2.79 0.00 0.00 177.10 174.11 3cf5 s VAL 53 N -2.92 0.00 -0.60 -5.21 1.01 0.70 -4.60 120.40 108.78 3cf5 s VAL 53 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3cf5 s VAL 53 Cb 0.01 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.54 3cf5 s VAL 53 CO 0.03 0.00 0.36 -0.63 0.00 0.00 0.00 175.10 174.86 3cf5 s ILE 54 N -0.75 2.88 -0.20 2.22 -1.09 -1.24 0.10 121.20 123.13 3cf5 s ILE 54 Ca -0.05 -3.55 -0.17 0.00 -2.23 0.00 0.00 60.65 54.66 3cf5 s ILE 54 Cb -0.02 -2.94 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 3cf5 s ILE 54 CO 0.04 -0.87 0.44 0.28 -1.23 0.00 0.00 174.94 173.59 3cf5 s THR 55 N -0.61 5.17 0.04 2.92 -1.32 -0.43 -4.70 115.64 116.71 3cf5 s THR 55 Ca 0.19 0.78 -0.30 0.00 -1.21 0.00 0.00 61.69 61.15 3cf5 s THR 55 Cb -0.19 -3.76 -0.04 0.00 -1.51 0.00 0.00 72.50 66.99 3cf5 s THR 55 CO -0.05 0.22 1.07 -1.59 -2.21 0.00 0.00 174.62 172.06 3cf5 s LYS 56 N 1.46 4.52 0.03 7.08 -2.85 -1.26 0.55 119.74 129.27 3cf5 s LYS 56 Ca 0.20 1.57 -0.24 0.00 -1.00 0.00 0.00 55.97 56.50 3cf5 s LYS 56 Cb -0.15 -3.41 -0.05 0.00 -2.06 0.00 0.00 37.83 32.16 3cf5 s LYS 56 CO 0.09 -0.11 0.74 1.21 0.10 0.00 0.00 175.35 177.38 3cf5 s ASN 57 N 0.93 7.16 -1.15 0.03 3.84 -1.23 -4.92 114.94 119.61 3cf5 s ASN 57 Ca 0.54 1.39 -0.20 0.00 0.21 0.00 0.00 52.86 54.80 3cf5 s ASN 57 Cb -0.25 -2.45 0.07 0.00 -0.55 0.00 0.00 41.25 38.08 3cf5 s ASN 57 CO 0.29 0.01 1.55 -0.69 -2.79 0.00 0.00 177.10 175.48 3cf5 s VAL 58 N 0.00 4.15 -0.56 -5.21 1.01 -1.26 -4.70 120.40 113.83 3cf5 s VAL 58 Ca 0.38 -1.47 0.06 0.00 0.00 0.00 0.00 61.98 60.95 3cf5 s VAL 58 Cb -0.20 -5.09 0.32 0.00 0.00 0.00 0.00 36.38 31.41 3cf5 s VAL 58 CO 0.22 -1.93 0.88 0.29 0.00 0.00 0.00 175.10 174.56 3cf5 n LYS 59 N 8.28 2.81 0.00 2.72 4.76 -1.26 -5.06 118.16 130.40 3cf5 n LYS 59 Ca 0.40 -4.63 0.00 0.00 -2.87 0.00 0.00 58.31 51.21 3cf5 n LYS 59 Cb 0.48 -2.16 0.00 0.00 -1.84 0.00 0.00 35.03 31.52 3cf5 n LYS 59 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3cf5 n PRO 60 N 0.03 0.85 -0.34 1.97 -0.02 -1.26 -3.26 135.00 132.96 3cf5 n PRO 60 Ca 0.30 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.53 3cf5 n PRO 60 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.85 3cf5 n PRO 60 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3cf5 n SER 61 N 0.00 0.89 -3.11 2.55 7.64 -1.26 -4.30 113.62 116.03 3cf5 n SER 61 Ca 0.00 -2.29 -0.31 0.00 1.01 0.00 0.00 58.87 57.28 3cf5 n SER 61 Cb 0.00 -0.57 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 3cf5 n SER 61 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3cf5 n MET 62 N 6.46 3.86 -2.99 1.43 2.81 -1.20 -4.95 117.12 122.53 3cf5 n MET 62 Ca 0.27 -4.76 -0.01 0.00 -1.81 0.00 0.00 57.70 51.39 3cf5 n MET 62 Cb 0.22 -2.30 -0.01 0.00 -0.71 0.00 0.00 33.22 30.42 3cf5 n MET 62 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3cf5 n THR 63 N -0.22 -3.76 -3.88 2.03 -1.04 -1.26 -3.95 114.28 102.19 3cf5 n THR 63 Ca 0.36 0.66 -0.35 0.00 -2.04 0.00 0.00 64.05 62.68 3cf5 n THR 63 Cb 0.37 -3.48 0.02 0.00 -1.82 0.00 0.00 70.33 65.41 3cf5 n THR 63 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3cf5 n ASN 64 N 2.17 -3.62 0.00 8.00 3.02 -1.26 -4.83 115.26 118.74 3cf5 n ASN 64 Ca -0.08 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3cf5 n ASN 64 Cb 0.19 -2.73 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 3cf5 n ASN 64 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3cf5 n PRO 65 N -4.50 0.00 -3.67 3.52 -0.02 -1.25 -4.82 135.00 124.25 3cf5 n PRO 65 Ca -0.15 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.06 3cf5 n PRO 65 Cb 0.61 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.06 3cf5 n PRO 65 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3cf5 n GLN 66 N -1.23 -2.58 -1.96 -0.52 7.27 -1.26 -4.84 117.38 112.26 3cf5 n GLN 66 Ca 0.00 0.29 -0.42 0.00 0.07 0.00 0.00 57.00 56.94 3cf5 n GLN 66 Cb 0.00 -4.94 -0.03 0.00 2.41 0.00 0.00 30.24 27.68 3cf5 n GLN 66 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 3cf5 s GLY 67 N -2.83 1.57 0.00 1.69 0.00 -1.26 -4.95 107.32 101.54 3cf5 s GLY 67 Ca 0.51 1.10 0.00 0.00 0.00 0.00 0.00 44.72 46.32 3cf5 s GLY 67 CO 0.62 2.95 0.00 0.61 0.00 0.00 0.00 173.10 177.28 3cf5 n GLY 68 N 4.05 1.98 3.42 0.20 0.00 -1.26 -4.97 105.19 108.60 3cf5 n GLY 68 Ca 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3cf5 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cf5 s GLN 69 N 2.83 0.54 0.41 1.61 -0.21 -1.26 -3.46 119.66 120.12 3cf5 s GLN 69 Ca 0.00 0.90 0.08 0.00 0.02 0.00 0.00 55.36 56.36 3cf5 s GLN 69 Cb 0.00 0.11 0.00 0.00 1.00 0.00 0.00 33.01 34.12 3cf5 s GLN 69 CO 0.00 -0.13 0.51 -1.21 -2.12 0.00 0.00 175.29 172.34 3cf5 s GLU 70 N 1.17 2.76 -0.11 2.91 2.02 0.19 -4.85 118.70 122.79 3cf5 s GLU 70 Ca -0.07 -1.31 -0.10 0.00 0.02 0.00 0.00 54.97 53.51 3cf5 s GLU 70 Cb -0.06 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.46 3cf5 s GLU 70 CO -0.11 -0.23 0.21 -1.14 0.02 0.00 0.00 175.26 174.00 3cf5 s GLN 71 N -4.28 3.71 -0.27 1.61 0.74 -1.26 -1.31 119.66 118.60 3cf5 s GLN 71 Ca 0.53 -0.02 -0.25 0.00 0.05 0.00 0.00 55.36 55.68 3cf5 s GLN 71 Cb -0.08 -3.25 0.09 0.00 1.10 0.00 0.00 33.01 30.87 3cf5 s GLN 71 CO 0.32 0.64 0.83 1.03 -0.55 0.00 0.00 175.29 177.56 3cf5 s ARG 72 N -0.70 0.71 0.36 1.67 0.52 0.29 -4.92 118.95 116.88 3cf5 s ARG 72 Ca 0.16 0.86 -0.26 0.00 -0.52 0.00 0.00 55.73 55.97 3cf5 s ARG 72 Cb -0.13 0.34 -0.09 0.00 0.52 0.00 0.00 34.95 35.59 3cf5 s ARG 72 CO 0.05 -0.09 1.10 -1.21 0.02 0.00 0.00 175.30 175.17 3cf5 s GLU 73 N 0.39 4.31 -0.26 3.54 0.41 -1.26 -0.22 118.70 125.61 3cf5 s GLU 73 Ca 0.01 1.70 0.02 0.00 -0.41 0.00 0.00 54.97 56.29 3cf5 s GLU 73 Cb -0.05 -2.81 0.06 0.00 -1.78 0.00 0.00 34.13 29.56 3cf5 s GLU 73 CO -0.03 -0.06 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.43 3cf5 s LEU 74 N -2.18 3.31 0.86 1.80 2.96 -1.25 -4.88 118.68 119.30 3cf5 s LEU 74 Ca 0.53 -1.40 -0.21 0.00 -0.22 0.00 0.00 54.13 52.83 3cf5 s LEU 74 Cb -0.28 -1.46 -0.16 0.00 0.50 0.00 0.00 46.19 44.80 3cf5 s LEU 74 CO 0.35 -0.22 -1.16 0.00 -1.32 0.00 0.00 176.35 174.00 3cf5 n ALA 75 N 4.48 -5.02 -3.25 5.97 0.00 -1.25 -4.90 120.51 116.54 3cf5 n ALA 75 Ca -0.12 -1.03 -0.04 0.00 0.00 0.00 0.00 53.44 52.25 3cf5 n ALA 75 Cb 0.42 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 3cf5 n ALA 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3cf5 n LEU 76 N 3.00 0.00 0.00 0.00 4.77 -0.73 -4.81 117.00 119.22 3cf5 n LEU 76 Ca -0.02 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3cf5 n LEU 76 Cb 0.60 0.53 0.00 0.00 -2.33 0.00 0.00 43.42 42.22 3cf5 n LEU 76 CO 0.39 -0.14 0.00 1.41 -1.33 0.00 0.00 177.39 177.72 3cf5 n HIS 77 N -0.14 0.00 -0.54 -1.77 8.25 -1.22 -0.52 115.22 119.29 3cf5 n HIS 77 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 3cf5 n HIS 77 Cb 0.14 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.33 3cf5 n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cf5 n ALA 78 N -3.00 4.68 0.51 -1.41 0.00 -1.26 -4.00 120.51 116.03 3cf5 n ALA 78 Ca 0.00 -1.81 0.12 0.00 0.00 0.00 0.00 53.44 51.75 3cf5 n ALA 78 Cb 0.00 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.30 3cf5 n ALA 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cf5 h SER 79 N 0.94 0.00 -2.96 0.00 4.64 -1.90 -3.44 113.55 110.82 3cf5 h SER 79 Ca 0.37 -0.15 -0.61 0.00 -0.47 0.00 0.00 61.79 60.92 3cf5 h SER 79 Cb 1.67 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.64 3cf5 h SER 79 CO 0.75 0.07 -0.67 -1.59 -0.87 0.00 0.00 176.83 174.52 3cf5 s LYS 80 N -3.18 2.36 -0.18 4.77 0.00 -1.26 -3.80 119.74 118.45 3cf5 s LYS 80 Ca 0.06 -1.10 -0.07 0.00 0.00 0.00 0.00 55.97 54.86 3cf5 s LYS 80 Cb 0.12 -2.34 -0.04 0.00 0.00 0.00 0.00 37.83 35.57 3cf5 s LYS 80 CO 0.71 0.46 0.07 0.08 0.00 0.00 0.00 175.35 176.67 3cf5 s VAL 81 N -1.67 4.88 -0.43 1.79 1.01 0.16 -4.84 120.40 121.32 3cf5 s VAL 81 Ca 0.27 -0.00 -0.44 0.00 0.00 0.00 0.00 61.98 61.80 3cf5 s VAL 81 Cb -0.09 -3.19 -0.18 0.00 0.00 0.00 0.00 36.38 32.91 3cf5 s VAL 81 CO 0.18 0.47 1.76 0.00 0.00 0.00 0.00 175.10 177.51 3cf5 n ALA 82 N 3.37 -0.64 -0.42 5.51 0.00 -1.26 -3.33 120.51 123.74 3cf5 n ALA 82 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3cf5 n ALA 82 Cb 0.52 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3cf5 n ALA 82 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3cf5 n LEU 83 N 5.25 0.00 -3.64 0.00 -0.00 -1.25 -4.48 117.00 112.88 3cf5 n LEU 83 Ca 0.34 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.27 3cf5 n LEU 83 Cb 0.01 -1.06 -0.07 0.00 -0.00 0.00 0.00 43.42 42.31 3cf5 n LEU 83 CO 0.86 0.00 0.68 -0.69 -0.00 0.00 0.00 177.39 178.24 3cf5 s VAL 84 N -3.39 0.00 -0.01 1.47 1.01 -1.26 -3.90 120.40 114.33 3cf5 s VAL 84 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3cf5 s VAL 84 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3cf5 s VAL 84 CO 0.00 0.00 0.02 -0.90 0.00 0.00 0.00 175.10 174.22 3cf5 n ASP 85 N 2.81 4.73 -0.00 3.32 5.75 -1.26 -4.48 116.55 127.42 3cf5 n ASP 85 Ca -0.15 0.00 0.04 0.00 -0.01 0.00 0.00 54.79 54.67 3cf5 n ASP 85 Cb 0.57 0.85 0.24 0.00 -1.03 0.00 0.00 41.12 41.74 3cf5 n ASP 85 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3cf5 n PRO 86 N -1.74 1.00 0.00 0.11 -0.02 -1.26 -4.81 135.00 128.28 3cf5 n PRO 86 Ca -0.01 -0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3cf5 n PRO 86 Cb 0.23 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3cf5 n PRO 86 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3cf5 n GLU 87 N -0.62 0.00 -4.49 -0.52 1.02 -1.26 -4.99 120.64 109.78 3cf5 n GLU 87 Ca 0.06 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.91 3cf5 n GLU 87 Cb 0.03 -1.14 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 3cf5 n GLU 87 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3cf5 s THR 88 N -2.22 2.19 0.15 2.62 -4.23 -1.26 -5.05 115.64 107.83 3cf5 s THR 88 Ca 0.00 -1.66 -0.12 0.00 -1.18 0.00 0.00 61.69 58.72 3cf5 s THR 88 Cb 0.00 -1.93 -0.08 0.00 1.34 0.00 0.00 72.50 71.83 3cf5 s THR 88 CO 0.00 0.14 0.16 0.61 -0.54 0.00 0.00 174.62 174.99 3cf5 n GLY 89 N 1.11 -1.10 3.11 3.99 0.00 -1.26 -4.58 105.19 106.46 3cf5 n GLY 89 Ca -0.18 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3cf5 n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cf5 s LYS 90 N -0.50 0.26 0.00 1.61 -2.85 -1.25 -4.98 119.74 112.03 3cf5 s LYS 90 Ca 0.31 0.50 0.00 0.00 -1.00 0.00 0.00 55.97 55.77 3cf5 s LYS 90 Cb -0.40 -0.01 0.00 0.00 -2.06 0.00 0.00 37.83 35.36 3cf5 s LYS 90 CO 0.29 -0.12 0.00 0.00 0.10 0.00 0.00 175.35 175.63 3cf5 n ALA 91 N 3.76 0.00 -3.62 0.59 0.00 -1.26 -4.83 120.51 115.15 3cf5 n ALA 91 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.14 3cf5 n ALA 91 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.92 3cf5 n ALA 91 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cf5 s THR 92 N -0.22 -0.01 0.23 0.00 -4.23 -1.26 -4.56 115.64 105.60 3cf5 s THR 92 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 3cf5 s THR 92 Cb 0.00 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.97 3cf5 s THR 92 CO 0.00 0.01 0.00 -2.11 -0.54 0.00 0.00 174.62 171.98 3cf5 n ARG 93 N 3.83 0.00 -2.26 3.99 1.85 0.29 -4.86 116.66 119.50 3cf5 n ARG 93 Ca -0.19 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.23 3cf5 n ARG 93 Cb 0.57 -0.02 -0.02 0.00 -1.05 0.00 0.00 32.46 31.94 3cf5 n ARG 93 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3cf5 s VAL 94 N -2.00 3.93 0.08 8.89 1.01 -1.23 -4.79 120.40 126.30 3cf5 s VAL 94 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3cf5 s VAL 94 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3cf5 s VAL 94 CO 0.00 -0.32 0.00 0.54 0.00 0.00 0.00 175.10 175.32 3cf5 n ARG 95 N 7.34 1.78 0.00 2.72 3.00 -1.26 -2.28 116.66 127.96 3cf5 n ARG 95 Ca 0.16 -0.57 0.00 0.00 -0.01 0.00 0.00 57.85 57.43 3cf5 n ARG 95 Cb 0.45 0.15 0.00 0.00 0.00 0.00 0.00 32.46 33.06 3cf5 n ARG 95 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 3cf5 n LYS 96 N -0.24 0.00 -4.26 5.56 2.85 -1.26 -4.93 118.16 115.89 3cf5 n LYS 96 Ca -0.03 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.04 3cf5 n LYS 96 Cb 0.10 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.41 3cf5 n LYS 96 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3cf5 s GLN 97 N -1.35 1.80 0.00 -1.58 -2.07 -1.26 -3.60 119.66 111.60 3cf5 s GLN 97 Ca 0.00 -2.00 0.00 0.00 -1.82 0.00 0.00 55.36 51.54 3cf5 s GLN 97 Cb 0.00 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.26 3cf5 s GLN 97 CO 0.00 -0.68 0.00 -0.89 -1.32 0.00 0.00 175.29 172.40 3cf5 n ILE 98 N -0.62 0.00 0.74 3.63 5.41 -1.25 -4.92 119.36 122.36 3cf5 n ILE 98 Ca 0.07 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.91 3cf5 n ILE 98 Cb 0.62 0.00 0.43 0.00 -0.71 0.00 0.00 39.64 39.98 3cf5 n ILE 98 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 3cf5 n VAL 99 N 0.00 0.61 -2.89 1.39 0.24 -1.26 -2.21 118.33 114.20 3cf5 n VAL 99 Ca 0.00 0.15 -0.36 0.00 -2.04 0.00 0.00 64.34 62.09 3cf5 n VAL 99 Cb 0.00 -0.84 -0.01 0.00 -1.47 0.00 0.00 33.84 31.52 3cf5 n VAL 99 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3cf5 n ASP 100 N -1.41 6.03 0.11 -1.34 -0.08 -1.26 -4.77 116.55 113.83 3cf5 n ASP 100 Ca 0.06 -3.60 0.20 0.00 -1.51 0.00 0.00 54.79 49.95 3cf5 n ASP 100 Cb 0.19 -0.99 0.75 0.00 2.34 0.00 0.00 41.12 43.41 3cf5 n ASP 100 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3cf5 h GLY 101 N 4.20 0.00 1.20 0.27 0.00 -1.80 1.44 103.07 108.38 3cf5 h GLY 101 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3cf5 h GLY 101 CO 1.09 0.00 0.07 1.17 0.00 0.00 0.00 176.54 178.87 3cf5 n LYS 102 N -3.67 0.00 -3.94 4.80 4.81 -1.26 -4.52 118.16 114.38 3cf5 n LYS 102 Ca 0.06 0.22 -0.09 0.00 -0.87 0.00 0.00 58.31 57.63 3cf5 n LYS 102 Cb 0.59 -1.57 -0.08 0.00 0.02 0.00 0.00 35.03 34.00 3cf5 n LYS 102 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3cf5 s LYS 103 N -2.33 0.88 0.17 1.64 2.20 0.49 -5.13 119.74 117.66 3cf5 s LYS 103 Ca 0.00 -1.09 0.08 0.00 -0.36 0.00 0.00 55.97 54.60 3cf5 s LYS 103 Cb 0.00 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 3cf5 s LYS 103 CO 0.00 -0.27 -0.16 0.14 -0.36 0.00 0.00 175.35 174.69 3cf5 s VAL 104 N -3.91 1.69 0.00 4.02 -7.23 -1.25 -3.79 120.40 109.94 3cf5 s VAL 104 Ca 0.09 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3cf5 s VAL 104 Cb 0.05 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 35.15 3cf5 s VAL 104 CO -0.07 -0.43 0.00 0.54 -0.31 0.00 0.00 175.10 174.83 3cf5 n ARG 105 N 0.12 3.87 -3.17 4.82 1.74 -1.24 -4.94 116.66 117.87 3cf5 n ARG 105 Ca -0.12 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.88 3cf5 n ARG 105 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 3cf5 n ARG 105 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3cf5 n VAL 106 N 0.00 0.00 0.00 1.55 0.24 -1.25 -4.40 118.33 114.47 3cf5 n VAL 106 Ca 0.00 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 3cf5 n VAL 106 Cb 0.00 0.76 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 3cf5 n VAL 106 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cf5 n ALA 107 N -1.26 0.00 -2.55 2.33 0.00 -0.97 -4.04 120.51 114.02 3cf5 n ALA 107 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3cf5 n ALA 107 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3cf5 n ALA 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3cf5 n VAL 108 N -0.16 0.00 1.12 0.00 0.31 -1.26 0.11 118.33 118.44 3cf5 n VAL 108 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 3cf5 n VAL 108 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 3cf5 n VAL 108 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cf5 n ALA 109 N -3.00 2.59 -3.00 3.52 0.00 -1.26 -4.60 120.51 114.76 3cf5 n ALA 109 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3cf5 n ALA 109 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3cf5 n ALA 109 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3cf5 n SER 110 N -0.05 0.00 -2.67 0.00 2.88 -1.26 -5.15 113.62 107.37 3cf5 n SER 110 Ca 0.03 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.53 3cf5 n SER 110 Cb 0.25 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.74 3cf5 n SER 110 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cf5 n GLY 111 N 1.04 -0.49 3.43 0.46 0.00 -1.26 -4.93 105.19 103.44 3cf5 n GLY 111 Ca 0.00 0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3cf5 n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf5 s LYS 112 N 0.06 1.79 0.00 1.61 3.01 -1.26 -4.92 119.74 120.04 3cf5 s LYS 112 Ca 0.09 -1.76 0.00 0.00 -1.01 0.00 0.00 55.97 53.29 3cf5 s LYS 112 Cb 0.15 0.41 0.00 0.00 -1.01 0.00 0.00 37.83 37.38 3cf5 s LYS 112 CO -0.05 -0.72 0.00 0.25 0.51 0.00 0.00 175.35 175.34