#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a78 n SER 2 N 0.00 0.00 0.00 0.00 3.41 -1.26 -5.03 113.62 110.74 1a78 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a78 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a78 n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a78 n ALA 3 N 0.41 0.49 0.00 7.33 0.00 -1.26 -2.97 120.51 124.51 1a78 n ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a78 n ALA 3 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a78 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a78 n GLY 4 N 4.24 0.90 3.78 0.00 0.00 -1.11 0.72 105.19 113.71 1a78 n GLY 4 Ca 0.00 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 1a78 n GLY 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a78 s VAL 5 N -3.16 2.15 -0.08 1.61 1.01 -1.26 -4.71 120.40 115.95 1a78 s VAL 5 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1a78 s VAL 5 Cb 0.00 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.31 1a78 s VAL 5 CO 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 175.10 175.03 1a78 s ALA 6 N -1.14 1.25 -0.11 5.51 0.00 -1.26 -1.11 121.76 124.90 1a78 s ALA 6 Ca 0.54 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 1a78 s ALA 6 Cb -0.45 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1a78 s ALA 6 CO 0.61 -0.12 -0.09 0.08 0.00 0.00 0.00 175.76 176.24 1a78 s VAL 7 N 1.13 3.48 0.22 0.00 1.01 0.21 -4.99 120.40 121.46 1a78 s VAL 7 Ca -0.06 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.50 1a78 s VAL 7 Cb -0.14 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1a78 s VAL 7 CO -0.02 0.54 -0.21 -0.89 0.00 0.00 0.00 175.10 174.53 1a78 s THR 8 N -0.05 2.23 -1.23 3.92 2.01 -1.26 -1.33 115.64 119.93 1a78 s THR 8 Ca -0.01 -2.16 0.00 0.00 0.31 0.00 0.00 61.69 59.83 1a78 s THR 8 Cb -0.14 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.25 1a78 s THR 8 CO 0.03 -0.30 0.00 0.59 -0.69 0.00 0.00 174.62 174.25 1a78 n ASN 9 N -0.10 -4.30 0.27 3.53 3.02 0.23 -4.89 115.26 113.03 1a78 n ASN 9 Ca -0.10 0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.65 1a78 n ASN 9 Cb 0.58 -3.34 0.77 0.00 -0.61 0.00 0.00 39.78 37.18 1a78 n ASN 9 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1a78 h LEU 10 N 0.00 0.00 -2.48 3.41 5.85 -1.40 -3.47 115.31 117.22 1a78 h LEU 10 Ca -0.31 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.86 1a78 h LEU 10 Cb 1.14 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 1a78 h LEU 10 CO 0.38 0.03 -0.95 -3.20 -0.34 0.00 0.00 178.44 174.37 1a78 n ASN 11 N -4.10 -1.06 -4.61 1.25 5.15 -1.07 -4.91 115.26 105.90 1a78 n ASN 11 Ca -0.03 -1.16 -0.42 0.00 -0.60 0.00 0.00 54.58 52.36 1a78 n ASN 11 Cb 0.11 -2.30 -0.04 0.00 -0.53 0.00 0.00 39.78 37.03 1a78 n ASN 11 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1a78 s LEU 12 N -7.16 4.02 0.27 1.20 2.96 -0.93 -4.77 118.68 114.27 1a78 s LEU 12 Ca 0.14 0.70 0.06 0.00 -0.22 0.00 0.00 54.13 54.81 1a78 s LEU 12 Cb -0.07 -3.25 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1a78 s LEU 12 CO 0.94 -0.78 0.32 -0.54 -1.32 0.00 0.00 176.35 174.97 1a78 s LYS 13 N 3.32 3.17 0.53 1.98 1.02 -1.26 0.37 119.74 128.86 1a78 s LYS 13 Ca 0.37 -0.94 -0.22 0.00 0.02 0.00 0.00 55.97 55.21 1a78 s LYS 13 Cb -0.13 -2.74 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 1a78 s LYS 13 CO 0.16 0.34 1.19 -0.35 -0.92 0.00 0.00 175.35 175.77 1a78 n PRO 14 N -1.37 1.44 -0.74 -1.68 -0.04 -1.26 -2.27 135.00 129.09 1a78 n PRO 14 Ca -0.07 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1a78 n PRO 14 Cb 0.58 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1a78 n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a78 n GLY 15 N 0.97 0.61 3.38 0.55 0.00 0.27 -4.97 105.19 106.00 1a78 n GLY 15 Ca 0.11 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1a78 n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a78 s HIS 16 N -2.00 1.74 0.18 1.61 3.76 -0.96 -4.98 115.29 114.63 1a78 s HIS 16 Ca 0.00 -0.94 -0.04 0.00 -0.15 0.00 0.00 55.06 53.92 1a78 s HIS 16 Cb 0.00 -1.06 -0.03 0.00 1.11 0.00 0.00 32.58 32.61 1a78 s HIS 16 CO 0.00 -0.03 0.19 0.00 -0.85 0.00 0.00 174.74 174.05 1a78 s VAL 18 N -4.06 0.42 -0.16 0.00 0.11 -0.58 -2.08 120.40 114.06 1a78 s VAL 18 Ca 0.27 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 1a78 s VAL 18 Cb 0.05 -0.42 0.00 0.00 -1.53 0.00 0.00 36.38 34.48 1a78 s VAL 18 CO 0.06 0.17 -0.17 -0.70 -3.33 0.00 0.00 175.10 171.13 1a78 s GLU 19 N 0.47 3.16 0.02 1.54 2.12 -0.23 -1.06 118.70 124.71 1a78 s GLU 19 Ca -0.05 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.51 1a78 s GLU 19 Cb -0.09 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 1a78 s GLU 19 CO -0.00 -0.03 0.07 0.42 -0.54 0.00 0.00 175.26 175.17 1a78 s ILE 20 N 0.92 4.60 -0.02 -3.70 1.09 0.60 -1.54 121.20 123.16 1a78 s ILE 20 Ca -0.04 -0.52 -0.00 0.00 -1.10 0.00 0.00 60.65 58.99 1a78 s ILE 20 Cb -0.15 -3.13 0.02 0.00 -1.06 0.00 0.00 42.46 38.15 1a78 s ILE 20 CO -0.02 0.30 0.03 -0.75 -0.10 0.00 0.00 174.94 174.40 1a78 s LYS 21 N -1.87 -0.01 0.13 2.79 2.20 -0.60 -1.48 119.74 120.89 1a78 s LYS 21 Ca 0.24 0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 55.90 1a78 s LYS 21 Cb -0.12 -0.16 0.04 0.00 -1.51 0.00 0.00 37.83 36.07 1a78 s LYS 21 CO 0.15 -0.12 0.48 0.41 -0.36 0.00 0.00 175.35 175.92 1a78 n GLY 22 N 3.83 1.13 3.40 5.54 0.00 -0.33 -1.16 105.19 117.60 1a78 n GLY 22 Ca -0.23 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.39 1a78 n GLY 22 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a78 s SER 23 N -2.17 3.96 -0.16 1.61 0.01 0.17 -0.24 113.70 116.88 1a78 s SER 23 Ca 0.10 -0.29 -0.19 0.00 1.31 0.00 0.00 55.95 56.88 1a78 s SER 23 Cb -0.02 -1.31 -0.03 0.00 0.21 0.00 0.00 66.02 64.86 1a78 s SER 23 CO 0.04 0.23 0.55 -0.63 0.41 0.00 0.00 173.24 173.84 1a78 s ILE 24 N -0.05 5.11 0.76 1.44 1.01 0.24 -0.69 121.20 129.02 1a78 s ILE 24 Ca -0.03 1.06 -0.14 0.00 0.00 0.00 0.00 60.65 61.54 1a78 s ILE 24 Cb -0.14 -3.88 0.06 0.00 0.01 0.00 0.00 42.46 38.51 1a78 s ILE 24 CO 0.04 0.22 1.18 -2.84 0.00 0.00 0.00 174.94 173.54 1a78 s PRO 25 N 1.27 1.98 0.46 2.79 0.02 -1.26 -1.39 135.00 138.87 1a78 s PRO 25 Ca 0.27 1.65 0.24 0.00 0.02 0.00 0.00 61.00 63.18 1a78 s PRO 25 Cb -0.16 -1.83 1.12 0.00 0.02 0.00 0.00 34.50 33.66 1a78 s PRO 25 CO 0.11 -1.93 1.93 -1.00 -0.33 0.00 0.00 177.00 175.78 1a78 h PRO 26 N -0.64 0.00 -2.32 5.54 0.13 -1.87 0.15 132.00 132.99 1a78 h PRO 26 Ca -0.46 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.07 1a78 h PRO 26 Cb 1.28 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.99 1a78 h PRO 26 CO 0.49 0.21 -0.63 -0.25 -0.23 0.00 0.00 178.00 177.59 1a78 n ASP 27 N -3.59 3.37 -4.27 1.44 8.00 -1.26 -4.42 116.55 115.82 1a78 n ASP 27 Ca -0.01 -3.35 -0.34 0.00 0.71 0.00 0.00 54.79 51.80 1a78 n ASP 27 Cb 0.35 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 40.62 1a78 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a78 h LYS 29 N 7.89 0.30 0.00 0.00 -0.00 -1.93 -3.43 116.57 119.39 1a78 h LYS 29 Ca -0.41 -0.30 0.00 0.00 -0.00 0.00 0.00 60.65 59.94 1a78 h LYS 29 Cb 1.16 0.08 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1a78 h LYS 29 CO 0.61 0.99 0.00 0.41 -0.00 0.00 0.00 179.45 181.46 1a78 n GLY 30 N 0.81 0.83 3.16 0.07 0.00 -1.26 -0.05 105.19 108.75 1a78 n GLY 30 Ca -0.05 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 1a78 n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a78 s PHE 31 N -2.00 0.87 0.05 1.61 -0.12 -0.55 -4.83 117.98 113.01 1a78 s PHE 31 Ca 0.00 -1.16 -0.00 0.00 -0.05 0.00 0.00 56.93 55.72 1a78 s PHE 31 Cb 0.00 -0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 41.85 1a78 s PHE 31 CO 0.00 -0.43 -0.04 0.00 -0.05 0.00 0.00 175.22 174.71 1a78 s ALA 32 N -3.94 0.53 -0.06 1.99 0.00 -0.87 -0.51 121.76 118.90 1a78 s ALA 32 Ca 0.21 -1.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1a78 s ALA 32 Cb 0.07 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.44 1a78 s ALA 32 CO 0.00 -0.31 -0.01 0.08 0.00 0.00 0.00 175.76 175.52 1a78 s VAL 33 N -3.43 0.40 0.02 0.00 1.01 -0.66 -1.69 120.40 116.04 1a78 s VAL 33 Ca 0.04 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.12 1a78 s VAL 33 Cb 0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.89 1a78 s VAL 33 CO -0.07 0.23 -0.18 0.20 0.00 0.00 0.00 175.10 175.28 1a78 s ASN 34 N 1.50 3.81 -0.02 3.32 0.01 0.61 -1.62 114.94 122.53 1a78 s ASN 34 Ca -0.02 -0.38 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1a78 s ASN 34 Cb -0.13 -0.65 0.01 0.00 0.41 0.00 0.00 41.25 40.89 1a78 s ASN 34 CO -0.03 0.28 -0.05 -0.76 -1.51 0.00 0.00 177.10 175.03 1a78 s LEU 35 N -1.23 1.61 0.00 0.60 1.02 -0.29 -1.96 118.68 118.43 1a78 s LEU 35 Ca 0.14 -0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.18 1a78 s LEU 35 Cb -0.10 -0.37 0.00 0.00 0.02 0.00 0.00 46.19 45.74 1a78 s LEU 35 CO 0.04 -0.00 0.00 0.61 0.02 0.00 0.00 176.35 177.02 1a78 n GLY 36 N 3.56 -0.70 0.12 -3.19 0.00 -0.73 0.51 105.19 104.76 1a78 n GLY 36 Ca -0.20 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 1a78 n GLY 36 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a78 n GLU 37 N 0.00 0.68 -1.60 1.61 1.02 -0.66 -1.29 120.64 120.40 1a78 n GLU 37 Ca 0.00 0.15 -0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1a78 n GLU 37 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 1a78 n GLU 37 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1a78 n ASP 38 N -3.17 -0.14 0.08 1.62 5.68 -1.17 -4.45 116.55 115.01 1a78 n ASP 38 Ca -0.38 -1.07 0.08 0.00 -0.50 0.00 0.00 54.79 52.91 1a78 n ASP 38 Cb 1.04 0.22 0.37 0.00 -1.14 0.00 0.00 41.12 41.61 1a78 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a78 n ALA 39 N -2.83 1.35 0.22 2.12 0.00 -1.26 -2.37 120.51 117.75 1a78 n ALA 39 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.53 1a78 n ALA 39 Cb 0.05 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.29 1a78 n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a78 n SER 40 N -1.91 1.77 -3.58 0.00 7.64 -1.26 -4.91 113.62 111.37 1a78 n SER 40 Ca 0.01 -1.42 -0.27 0.00 1.01 0.00 0.00 58.87 58.20 1a78 n SER 40 Cb 0.11 -0.03 -0.16 0.00 -1.01 0.00 0.00 64.21 63.13 1a78 n SER 40 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1a78 s ASN 41 N -0.66 2.74 -0.12 6.43 0.01 -1.00 -1.09 114.94 121.25 1a78 s ASN 41 Ca 0.09 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.40 1a78 s ASN 41 Cb 0.06 -0.26 -0.02 0.00 0.41 0.00 0.00 41.25 41.44 1a78 s ASN 41 CO 0.09 -0.38 -0.12 -0.36 -1.51 0.00 0.00 177.10 174.82 1a78 s PHE 42 N 2.13 2.83 0.08 2.20 0.08 0.81 -1.65 117.98 124.45 1a78 s PHE 42 Ca 0.05 -0.50 -0.04 0.00 0.12 0.00 0.00 56.93 56.56 1a78 s PHE 42 Cb -0.16 -1.82 -0.28 0.00 -0.57 0.00 0.00 43.02 40.19 1a78 s PHE 42 CO -0.19 -0.10 1.14 1.25 -0.10 0.00 0.00 175.22 177.22 1a78 h LEU 43 N 6.42 0.41 -7.30 -0.37 5.85 -0.20 -0.53 115.31 119.59 1a78 h LEU 43 Ca -0.30 -0.44 -0.25 0.00 0.84 0.00 0.00 57.88 57.73 1a78 h LEU 43 Cb 1.20 -0.13 -0.33 0.00 0.37 0.00 0.00 40.66 41.76 1a78 h LEU 43 CO 0.55 1.34 -0.58 -0.22 -0.34 0.00 0.00 178.44 179.20 1a78 s LEU 44 N -7.13 0.12 -0.31 2.25 2.96 -0.55 -4.45 118.68 111.56 1a78 s LEU 44 Ca -0.04 0.42 -0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1a78 s LEU 44 Cb 0.07 0.47 0.05 0.00 0.50 0.00 0.00 46.19 47.28 1a78 s LEU 44 CO 0.88 -0.21 0.03 -2.28 -1.32 0.00 0.00 176.35 173.45 1a78 s HIS 45 N 1.91 3.30 -0.48 5.38 5.65 0.10 -1.13 115.29 130.02 1a78 s HIS 45 Ca -0.02 -1.87 -0.15 0.00 0.25 0.00 0.00 55.06 53.27 1a78 s HIS 45 Cb -0.12 -2.24 0.08 0.00 -1.18 0.00 0.00 32.58 29.13 1a78 s HIS 45 CO -0.07 -0.81 0.40 0.12 -0.65 0.00 0.00 174.74 173.73 1a78 s PHE 46 N 1.26 3.26 -0.28 3.88 2.19 -0.64 -1.30 117.98 126.34 1a78 s PHE 46 Ca -0.03 -1.05 -0.01 0.00 0.33 0.00 0.00 56.93 56.17 1a78 s PHE 46 Cb -0.20 -3.26 0.05 0.00 -1.31 0.00 0.00 43.02 38.30 1a78 s PHE 46 CO -0.01 -0.84 -0.03 1.21 1.83 0.00 0.00 175.22 177.38 1a78 s ASN 47 N 2.72 4.72 -0.46 6.13 3.04 0.19 -1.66 114.94 129.63 1a78 s ASN 47 Ca 0.04 -1.25 -0.21 0.00 0.04 0.00 0.00 52.86 51.47 1a78 s ASN 47 Cb -0.25 -1.67 0.03 0.00 -1.54 0.00 0.00 41.25 37.82 1a78 s ASN 47 CO 0.06 -0.23 0.69 0.00 -3.04 0.00 0.00 177.10 174.58 1a78 s ALA 48 N 1.23 3.33 -0.50 1.71 0.00 0.33 -0.33 121.76 127.52 1a78 s ALA 48 Ca -0.06 -1.24 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 1a78 s ALA 48 Cb -0.19 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.63 1a78 s ALA 48 CO -0.02 -1.88 0.52 1.03 0.00 0.00 0.00 175.76 175.41 1a78 s ARG 49 N 2.97 3.05 -0.00 0.00 0.52 0.11 -1.49 118.95 124.10 1a78 s ARG 49 Ca 0.24 -1.17 -0.25 0.00 -0.52 0.00 0.00 55.73 54.02 1a78 s ARG 49 Cb -0.14 -4.14 -0.19 0.00 0.52 0.00 0.00 34.95 31.00 1a78 s ARG 49 CO 0.19 -1.17 1.31 0.74 0.02 0.00 0.00 175.30 176.39 1a78 h PHE 50 N 8.90 -0.08 -1.22 -0.53 0.04 -0.73 0.18 116.94 123.50 1a78 h PHE 50 Ca -0.28 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.35 1a78 h PHE 50 Cb 1.10 0.02 -0.22 0.00 2.20 0.00 0.00 35.95 39.06 1a78 h PHE 50 CO 0.71 0.32 -0.51 0.34 -0.60 0.00 0.00 178.31 178.57 1a78 s ASP 51 N -5.51 -0.91 -0.16 2.17 2.15 -0.19 -0.16 116.67 114.06 1a78 s ASP 51 Ca -0.15 -0.97 -0.08 0.00 0.43 0.00 0.00 52.55 51.79 1a78 s ASP 51 Cb 0.02 1.64 0.06 0.00 -0.30 0.00 0.00 42.92 44.34 1a78 s ASP 51 CO 0.64 -0.19 0.37 -0.22 -0.17 0.00 0.00 175.17 175.60 1a78 s LEU 52 N 1.75 -0.08 -1.44 -1.34 2.96 0.32 -4.77 118.68 116.08 1a78 s LEU 52 Ca 0.16 0.81 -0.07 0.00 -0.22 0.00 0.00 54.13 54.81 1a78 s LEU 52 Cb -0.07 1.17 0.04 0.00 0.50 0.00 0.00 46.19 47.83 1a78 s LEU 52 CO -0.06 -0.20 0.59 1.41 -1.32 0.00 0.00 176.35 176.77 1a78 n HIS 53 N 4.50 -1.94 0.00 5.38 8.25 -1.26 -1.08 115.22 129.07 1a78 n HIS 53 Ca -0.20 0.53 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1a78 n HIS 53 Cb 0.53 -3.86 0.00 0.00 1.12 0.00 0.00 29.99 27.78 1a78 n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a78 n GLY 54 N -1.40 2.15 3.62 -1.41 0.00 -1.26 -5.01 105.19 101.88 1a78 n GLY 54 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1a78 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a78 s ASP 55 N -3.34 6.45 -0.14 1.61 1.01 -0.24 -5.05 116.67 116.97 1a78 s ASP 55 Ca 0.00 0.55 0.01 0.00 0.71 0.00 0.00 52.55 53.82 1a78 s ASP 55 Cb 0.00 -2.29 -0.00 0.00 1.01 0.00 0.00 42.92 41.64 1a78 s ASP 55 CO 0.00 -0.29 -0.17 -0.69 0.21 0.00 0.00 175.17 174.23 1a78 s VAL 56 N 2.28 2.57 -1.36 -1.27 1.01 -1.26 -0.52 120.40 121.84 1a78 s VAL 56 Ca 0.22 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 1a78 s VAL 56 Cb -0.16 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1a78 s VAL 56 CO 0.09 0.53 0.44 0.59 0.00 0.00 0.00 175.10 176.75 1a78 n ASN 57 N 3.81 -1.45 -4.29 3.32 4.13 0.77 -4.95 115.26 116.61 1a78 n ASN 57 Ca -0.19 -1.10 -0.16 0.00 1.68 0.00 0.00 54.58 54.82 1a78 n ASN 57 Cb 0.52 -2.65 -0.10 0.00 -1.54 0.00 0.00 39.78 36.01 1a78 n ASN 57 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1a78 s LYS 58 N -6.73 1.18 -0.18 3.52 2.47 -0.41 -4.71 119.74 114.88 1a78 s LYS 58 Ca 0.15 -1.54 -0.01 0.00 -1.56 0.00 0.00 55.97 53.01 1a78 s LYS 58 Cb -0.07 -0.65 0.00 0.00 -1.46 0.00 0.00 37.83 35.65 1a78 s LYS 58 CO 0.92 0.02 -0.13 0.42 0.16 0.00 0.00 175.35 176.73 1a78 s ILE 59 N -3.34 2.75 -0.12 5.43 1.01 -0.89 0.07 121.20 126.10 1a78 s ILE 59 Ca 0.21 -0.72 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 1a78 s ILE 59 Cb 0.03 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1a78 s ILE 59 CO 0.04 0.49 -0.11 -0.69 0.00 0.00 0.00 174.94 174.68 1a78 s VAL 60 N 1.10 3.27 0.03 2.92 1.01 0.55 -0.84 120.40 128.44 1a78 s VAL 60 Ca 0.00 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1a78 s VAL 60 Cb -0.14 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 1a78 s VAL 60 CO -0.04 0.53 -0.23 0.00 0.00 0.00 0.00 175.10 175.36 1a78 s ASN 62 N -1.06 -0.23 0.30 0.00 3.84 -0.42 -1.03 114.94 116.34 1a78 s ASN 62 Ca 0.09 -0.67 0.10 0.00 0.21 0.00 0.00 52.86 52.59 1a78 s ASN 62 Cb -0.09 0.69 -0.05 0.00 -0.55 0.00 0.00 41.25 41.25 1a78 s ASN 62 CO 0.01 -1.29 -0.04 -0.94 -2.79 0.00 0.00 177.10 172.06 1a78 s SER 63 N -2.94 4.17 -0.08 -4.21 1.04 -1.26 0.03 113.70 110.45 1a78 s SER 63 Ca 0.13 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 1a78 s SER 63 Cb -0.05 -0.58 0.04 0.00 0.10 0.00 0.00 66.02 65.53 1a78 s SER 63 CO 0.07 -0.10 0.19 -0.75 0.98 0.00 0.00 173.24 173.63 1a78 s LYS 64 N -3.66 0.14 -0.15 4.02 2.20 -0.21 -1.06 119.74 121.03 1a78 s LYS 64 Ca 0.33 0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 56.36 1a78 s LYS 64 Cb -0.03 -0.15 0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1a78 s LYS 64 CO 0.19 -0.16 -0.02 -2.00 -0.36 0.00 0.00 175.35 173.00 1a78 s GLU 65 N 1.18 1.03 -1.27 4.03 2.12 -0.94 -0.14 118.70 124.70 1a78 s GLU 65 Ca -0.09 -0.32 -0.07 0.00 0.36 0.00 0.00 54.97 54.85 1a78 s GLU 65 Cb -0.11 -1.75 0.01 0.00 0.26 0.00 0.00 34.13 32.54 1a78 s GLU 65 CO -0.07 -0.45 1.10 0.00 -0.54 0.00 0.00 175.26 175.31 1a78 n ALA 66 N 4.99 -1.40 -0.79 6.30 0.00 -0.57 -2.25 120.51 126.80 1a78 n ALA 66 Ca -0.10 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1a78 n ALA 66 Cb 0.48 -4.72 0.00 0.00 0.00 0.00 0.00 19.45 15.21 1a78 n ALA 66 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a78 n ASP 67 N -2.88 -0.25 -4.51 0.00 8.00 -0.25 -4.98 116.55 111.69 1a78 n ASP 67 Ca -0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 1a78 n ASP 67 Cb 0.58 -1.18 -0.10 0.00 -0.02 0.00 0.00 41.12 40.41 1a78 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a78 s ALA 68 N -2.58 3.48 0.59 2.24 0.00 -0.95 -5.06 121.76 119.48 1a78 s ALA 68 Ca 0.00 -1.41 -0.19 0.00 0.00 0.00 0.00 51.96 50.35 1a78 s ALA 68 Cb 0.00 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1a78 s ALA 68 CO 0.00 -1.24 1.23 -1.58 0.00 0.00 0.00 175.76 174.17 1a78 s TRP 69 N 1.91 2.37 0.00 0.00 0.52 -1.26 -2.22 118.94 120.26 1a78 s TRP 69 Ca 0.09 1.50 0.00 0.00 0.02 0.00 0.00 56.10 57.71 1a78 s TRP 69 Cb -0.17 -3.53 0.00 0.00 -1.15 0.00 0.00 33.47 28.62 1a78 s TRP 69 CO 0.12 -2.33 0.00 0.41 0.02 0.00 0.00 176.95 175.17 1a78 n GLY 70 N 0.57 2.11 3.67 0.98 0.00 -0.22 -4.93 105.19 107.37 1a78 n GLY 70 Ca 0.13 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1a78 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a78 s SER 71 N -0.89 7.15 0.60 1.61 0.01 -1.26 -4.82 113.70 116.10 1a78 s SER 71 Ca 0.00 1.43 -0.18 0.00 1.31 0.00 0.00 55.95 58.51 1a78 s SER 71 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 1a78 s SER 71 CO 0.00 -0.56 1.15 -1.61 0.41 0.00 0.00 173.24 172.63 1a78 s GLU 72 N 2.66 3.02 -0.22 12.44 2.02 -1.26 -4.69 118.70 132.68 1a78 s GLU 72 Ca 0.45 1.63 -0.01 0.00 0.02 0.00 0.00 54.97 57.06 1a78 s GLU 72 Cb -0.16 -1.96 0.06 0.00 0.10 0.00 0.00 34.13 32.17 1a78 s GLU 72 CO 0.11 -1.12 0.00 -1.14 0.02 0.00 0.00 175.26 173.13 1a78 s GLN 73 N -3.54 1.04 0.42 1.61 0.74 -0.20 -4.98 119.66 114.75 1a78 s GLN 73 Ca 0.73 -0.68 -0.02 0.00 0.05 0.00 0.00 55.36 55.44 1a78 s GLN 73 Cb -0.25 -2.30 -0.03 0.00 1.10 0.00 0.00 33.01 31.53 1a78 s GLN 73 CO 0.34 -0.64 0.66 1.03 -0.55 0.00 0.00 175.29 176.12 1a78 s ARG 74 N 1.66 3.42 -0.02 1.67 0.52 -1.26 -1.01 118.95 123.93 1a78 s ARG 74 Ca -0.02 -0.17 -0.08 0.00 -0.52 0.00 0.00 55.73 54.93 1a78 s ARG 74 Cb -0.18 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.76 1a78 s ARG 74 CO -0.08 -0.06 0.18 -2.00 0.02 0.00 0.00 175.30 173.36 1a78 s GLU 75 N -4.52 0.43 0.10 3.54 2.56 -0.02 -4.97 118.70 115.82 1a78 s GLU 75 Ca 0.44 -0.15 0.22 0.00 0.00 0.00 0.00 54.97 55.48 1a78 s GLU 75 Cb -0.10 0.19 -0.13 0.00 2.00 0.00 0.00 34.13 36.08 1a78 s GLU 75 CO 0.40 -0.10 0.82 0.39 -0.56 0.00 0.00 175.26 176.21 1a78 n GLU 76 N 1.91 0.60 -2.26 4.30 -0.58 -1.26 -2.10 120.64 121.25 1a78 n GLU 76 Ca -0.19 -0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.11 1a78 n GLU 76 Cb 0.57 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 1a78 n GLU 76 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1a78 s VAL 77 N -3.41 3.64 -0.41 2.62 1.01 -1.26 -4.91 120.40 117.68 1a78 s VAL 77 Ca -0.03 1.14 0.03 0.00 0.00 0.00 0.00 61.98 63.11 1a78 s VAL 77 Cb 0.12 -3.73 0.16 0.00 0.00 0.00 0.00 36.38 32.92 1a78 s VAL 77 CO 0.84 0.06 0.29 0.12 0.00 0.00 0.00 175.10 176.41 1a78 s PHE 78 N 1.52 1.13 -0.28 5.22 5.36 -1.26 -4.65 117.98 125.01 1a78 s PHE 78 Ca 0.63 -2.13 -0.02 0.00 -0.96 0.00 0.00 56.93 54.44 1a78 s PHE 78 Cb -0.33 -1.06 0.11 0.00 -0.34 0.00 0.00 43.02 41.40 1a78 s PHE 78 CO 0.29 -0.81 2.33 -0.35 -1.46 0.00 0.00 175.22 175.21 1a78 n PRO 79 N 3.27 1.86 -4.61 10.12 -0.04 -1.26 -4.92 135.00 139.42 1a78 n PRO 79 Ca 0.22 -1.49 -0.25 0.00 -0.04 0.00 0.00 63.50 61.93 1a78 n PRO 79 Cb 0.43 -1.69 -0.14 0.00 -0.04 0.00 0.00 33.50 32.05 1a78 n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1a78 s PHE 80 N -1.32 1.77 0.04 0.54 0.08 -1.26 -5.00 117.98 112.83 1a78 s PHE 80 Ca 0.37 -0.37 0.07 0.00 0.12 0.00 0.00 56.93 57.12 1a78 s PHE 80 Cb 0.25 -1.05 -0.02 0.00 -0.57 0.00 0.00 43.02 41.62 1a78 s PHE 80 CO -0.05 0.09 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.29 1a78 s GLN 81 N -1.19 1.48 0.68 0.44 -0.21 -1.26 -5.13 119.66 114.46 1a78 s GLN 81 Ca 0.07 -0.94 -0.14 0.00 0.02 0.00 0.00 55.36 54.38 1a78 s GLN 81 Cb -0.09 -1.58 0.01 0.00 1.00 0.00 0.00 33.01 32.35 1a78 s GLN 81 CO 0.02 0.41 1.09 -0.65 -2.12 0.00 0.00 175.29 174.04 1a78 s GLN 82 N -1.10 2.79 -1.76 2.91 -0.21 -1.26 -3.10 119.66 117.93 1a78 s GLN 82 Ca 0.08 1.27 0.00 0.00 0.02 0.00 0.00 55.36 56.73 1a78 s GLN 82 Cb -0.09 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 31.96 1a78 s GLN 82 CO 0.01 -1.24 0.00 0.41 -2.12 0.00 0.00 175.29 172.35 1a78 n GLY 83 N -0.90 0.65 3.47 3.09 0.00 0.52 -4.76 105.19 107.26 1a78 n GLY 83 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1a78 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a78 s ALA 84 N -2.73 2.62 0.09 4.61 0.00 -0.94 -4.81 121.76 120.60 1a78 s ALA 84 Ca 0.00 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.31 1a78 s ALA 84 Cb 0.00 0.80 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 1a78 s ALA 84 CO 0.00 -0.36 0.47 -1.21 0.00 0.00 0.00 175.76 174.66 1a78 s GLU 85 N -3.78 3.91 0.19 0.00 2.02 -1.26 0.82 118.70 120.59 1a78 s GLU 85 Ca 0.29 0.39 0.08 0.00 0.02 0.00 0.00 54.97 55.74 1a78 s GLU 85 Cb 0.04 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 1a78 s GLU 85 CO 0.15 0.56 -0.15 0.14 0.02 0.00 0.00 175.26 175.99 1a78 s VAL 86 N -1.33 1.68 -0.16 2.63 -7.23 0.67 -4.92 120.40 111.74 1a78 s VAL 86 Ca 0.32 -2.10 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1a78 s VAL 86 Cb -0.15 -1.94 0.08 0.00 0.56 0.00 0.00 36.38 34.92 1a78 s VAL 86 CO 0.18 -0.53 0.30 -0.32 -0.31 0.00 0.00 175.10 174.42 1a78 s MET 87 N -3.39 0.21 0.08 4.82 0.00 -1.26 -1.19 119.30 118.56 1a78 s MET 87 Ca 0.20 0.73 0.08 0.00 0.00 0.00 0.00 55.69 56.69 1a78 s MET 87 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 34.83 34.66 1a78 s MET 87 CO 0.06 -0.35 -0.20 0.08 0.00 0.00 0.00 175.02 174.61 1a78 s VAL 88 N 2.47 1.64 0.02 10.11 1.01 -0.55 -3.38 120.40 131.72 1a78 s VAL 88 Ca 0.02 -1.39 0.05 0.00 0.00 0.00 0.00 61.98 60.67 1a78 s VAL 88 Cb -0.13 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1a78 s VAL 88 CO -0.11 0.03 -0.16 0.00 0.00 0.00 0.00 175.10 174.87 1a78 s PHE 90 N -0.62 1.62 -0.13 0.00 0.40 -0.23 -1.37 117.98 117.65 1a78 s PHE 90 Ca 0.04 -0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1a78 s PHE 90 Cb -0.07 -1.22 -0.02 0.00 0.51 0.00 0.00 43.02 42.22 1a78 s PHE 90 CO 0.01 -0.40 -0.09 -2.00 0.70 0.00 0.00 175.22 173.43 1a78 s GLU 91 N 1.03 3.40 -0.23 0.44 2.12 0.11 -1.53 118.70 124.04 1a78 s GLU 91 Ca -0.07 -0.62 -0.08 0.00 0.36 0.00 0.00 54.97 54.56 1a78 s GLU 91 Cb -0.15 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 1a78 s GLU 91 CO -0.01 0.28 0.10 -0.47 -0.54 0.00 0.00 175.26 174.62 1a78 s TYR 92 N 0.21 3.20 0.13 5.30 5.04 -0.68 -0.69 117.35 129.86 1a78 s TYR 92 Ca -0.06 -0.05 0.09 0.00 -2.44 0.00 0.00 57.07 54.61 1a78 s TYR 92 Cb -0.15 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.92 1a78 s TYR 92 CO 0.04 -0.07 -0.20 -0.65 -1.34 0.00 0.00 175.55 173.33 1a78 s GLN 93 N 1.09 1.20 0.40 4.97 -1.52 -0.71 0.95 119.66 126.04 1a78 s GLN 93 Ca 0.05 -1.26 0.25 0.00 -1.95 0.00 0.00 55.36 52.45 1a78 s GLN 93 Cb -0.14 -1.41 1.38 0.00 -0.22 0.00 0.00 33.01 32.62 1a78 s GLN 93 CO 0.04 0.31 1.77 1.79 -0.25 0.00 0.00 175.29 178.95 1a78 h THR 94 N 3.77 0.00 0.00 -0.19 1.35 -1.97 -3.02 112.91 112.85 1a78 h THR 94 Ca -0.45 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 65.31 1a78 h THR 94 Cb 1.19 0.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.15 1a78 h THR 94 CO 0.43 0.00 -1.57 0.00 -0.25 0.00 0.00 175.52 174.14 1a78 n GLN 95 N -2.41 1.50 -3.67 4.72 10.64 -1.26 -4.76 117.38 122.14 1a78 n GLN 95 Ca -0.02 -0.04 -0.10 0.00 -1.83 0.00 0.00 57.00 55.01 1a78 n GLN 95 Cb 0.08 -1.24 -0.03 0.00 -0.86 0.00 0.00 30.24 28.18 1a78 n GLN 95 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1a78 s LYS 96 N -2.44 1.36 -0.14 2.61 -2.85 -1.14 -1.50 119.74 115.64 1a78 s LYS 96 Ca -0.04 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1a78 s LYS 96 Cb 0.04 0.54 -0.01 0.00 -2.06 0.00 0.00 37.83 36.35 1a78 s LYS 96 CO 0.40 -0.58 -0.15 0.42 0.10 0.00 0.00 175.35 175.54 1a78 s ILE 97 N -3.84 2.77 -0.20 3.79 1.01 -0.01 -1.73 121.20 122.98 1a78 s ILE 97 Ca 0.07 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 1a78 s ILE 97 Cb -0.01 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 1a78 s ILE 97 CO -0.05 0.52 0.26 -0.63 0.00 0.00 0.00 174.94 175.04 1a78 s ILE 98 N 0.57 5.31 -0.18 2.92 1.01 0.13 -1.38 121.20 129.58 1a78 s ILE 98 Ca -0.09 0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 1a78 s ILE 98 Cb -0.16 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1a78 s ILE 98 CO 0.04 0.34 -0.00 -0.63 0.00 0.00 0.00 174.94 174.68 1a78 s ILE 99 N 0.88 4.09 -0.01 2.92 1.09 0.35 -0.71 121.20 129.81 1a78 s ILE 99 Ca 0.13 -0.28 0.05 0.00 -1.10 0.00 0.00 60.65 59.46 1a78 s ILE 99 Cb -0.13 -2.82 -0.01 0.00 -1.06 0.00 0.00 42.46 38.43 1a78 s ILE 99 CO 0.04 0.46 -0.16 -0.54 -0.10 0.00 0.00 174.94 174.64 1a78 s LYS 100 N 0.59 1.31 0.14 2.79 1.02 -0.47 -1.40 119.74 123.71 1a78 s LYS 100 Ca -0.01 -0.61 0.04 0.00 0.02 0.00 0.00 55.97 55.42 1a78 s LYS 100 Cb -0.14 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 1a78 s LYS 100 CO 0.02 0.35 0.11 -0.06 -0.92 0.00 0.00 175.35 174.85 1a78 s PHE 101 N -0.43 3.15 0.59 3.18 0.08 0.71 -1.84 117.98 123.42 1a78 s PHE 101 Ca 0.06 0.01 0.29 0.00 0.12 0.00 0.00 56.93 57.41 1a78 s PHE 101 Cb -0.06 -1.54 1.56 0.00 -0.57 0.00 0.00 43.02 42.40 1a78 s PHE 101 CO -0.00 0.52 1.99 0.66 -0.10 0.00 0.00 175.22 178.29 1a78 h SER 102 N 2.70 0.00 0.00 1.36 4.64 -1.87 0.23 113.55 120.61 1a78 h SER 102 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1a78 h SER 102 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1a78 h SER 102 CO 0.64 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.06 1a78 n SER 103 N -3.74 0.00 0.00 4.97 3.41 -1.26 -4.81 113.62 112.19 1a78 n SER 103 Ca 0.05 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1a78 n SER 103 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1a78 n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a78 n GLY 104 N 0.09 2.77 3.59 5.00 0.00 0.80 -4.98 105.19 112.46 1a78 n GLY 104 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1a78 n GLY 104 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1a78 n ASP 105 N 0.52 0.28 -3.53 1.61 8.00 -1.25 -4.70 116.55 117.48 1a78 n ASP 105 Ca 0.00 0.69 -0.17 0.00 0.71 0.00 0.00 54.79 56.02 1a78 n ASP 105 Cb 0.00 -1.37 -0.06 0.00 -0.02 0.00 0.00 41.12 39.67 1a78 n ASP 105 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1a78 s GLN 106 N -3.12 0.98 0.23 -1.24 0.74 -1.26 -0.21 119.66 115.79 1a78 s GLN 106 Ca 0.73 0.28 -0.20 0.00 0.05 0.00 0.00 55.36 56.22 1a78 s GLN 106 Cb -0.36 0.46 0.03 0.00 1.10 0.00 0.00 33.01 34.24 1a78 s GLN 106 CO 0.50 -0.30 0.63 -0.59 -0.55 0.00 0.00 175.29 174.99 1a78 s PHE 107 N -1.10 -0.20 0.33 1.67 -0.12 -0.50 -5.00 117.98 113.06 1a78 s PHE 107 Ca -0.09 -0.17 0.08 0.00 -0.05 0.00 0.00 56.93 56.70 1a78 s PHE 107 Cb -0.00 0.56 -0.06 0.00 -0.63 0.00 0.00 43.02 42.89 1a78 s PHE 107 CO 0.08 -1.07 -0.06 -1.54 -0.05 0.00 0.00 175.22 172.58 1a78 s SER 108 N -2.88 3.37 -0.00 1.98 1.04 -1.26 -0.50 113.70 115.45 1a78 s SER 108 Ca 0.09 -1.22 0.03 0.00 0.48 0.00 0.00 55.95 55.33 1a78 s SER 108 Cb -0.03 -0.28 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 1a78 s SER 108 CO 0.01 -0.29 -0.10 0.12 0.98 0.00 0.00 173.24 173.95 1a78 s PHE 109 N -2.78 0.88 0.41 5.02 5.36 -0.48 -4.96 117.98 121.43 1a78 s PHE 109 Ca 0.32 -0.20 -0.23 0.00 -0.96 0.00 0.00 56.93 55.86 1a78 s PHE 109 Cb 0.04 -0.56 -0.09 0.00 -0.34 0.00 0.00 43.02 42.07 1a78 s PHE 109 CO 0.15 -0.01 1.04 -1.25 -1.46 0.00 0.00 175.22 173.69 1a78 s PRO 110 N -0.37 4.12 -0.58 10.12 0.04 -1.26 -0.83 135.00 146.23 1a78 s PRO 110 Ca 0.03 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.31 1a78 s PRO 110 Cb -0.04 -2.47 0.05 0.00 0.04 0.00 0.00 34.50 32.08 1a78 s PRO 110 CO -0.00 -0.17 0.91 0.08 0.04 0.00 0.00 177.00 177.86 1a78 s VAL 111 N -1.72 4.43 -1.37 -0.36 1.01 -0.56 -4.82 120.40 117.01 1a78 s VAL 111 Ca 0.59 -0.02 0.29 0.00 0.00 0.00 0.00 61.98 62.84 1a78 s VAL 111 Cb -0.21 -4.56 0.47 0.00 0.00 0.00 0.00 36.38 32.08 1a78 s VAL 111 CO 0.26 -1.19 1.99 0.54 0.00 0.00 0.00 175.10 176.70 1a78 n ARG 112 N 7.38 0.35 -3.47 2.72 1.74 -1.26 -4.61 116.66 119.51 1a78 n ARG 112 Ca -0.01 0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.05 1a78 n ARG 112 Cb 0.47 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 1a78 n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1a78 s LYS 113 N -2.63 0.46 -0.20 5.56 2.20 -1.26 -5.13 119.74 118.74 1a78 s LYS 113 Ca 0.25 1.04 -0.24 0.00 -0.36 0.00 0.00 55.97 56.67 1a78 s LYS 113 Cb 0.19 0.37 -0.01 0.00 -1.51 0.00 0.00 37.83 36.87 1a78 s LYS 113 CO 0.45 -0.40 0.78 0.08 -0.36 0.00 0.00 175.35 175.90 1a78 s VAL 114 N 2.74 4.90 -0.01 4.02 1.01 -1.26 -5.04 120.40 126.76 1a78 s VAL 114 Ca 0.05 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.55 1a78 s VAL 114 Cb -0.13 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1a78 s VAL 114 CO -0.17 0.02 0.01 -0.76 0.00 0.00 0.00 175.10 174.20 1a78 s LEU 115 N 2.29 3.57 0.55 3.92 1.43 -1.26 -5.00 118.68 124.19 1a78 s LEU 115 Ca 0.35 0.02 0.24 0.00 -1.03 0.00 0.00 54.13 53.71 1a78 s LEU 115 Cb -0.16 -2.04 1.50 0.00 0.03 0.00 0.00 46.19 45.52 1a78 s LEU 115 CO 0.10 0.28 2.13 -0.65 0.23 0.00 0.00 176.35 178.45 1a78 h PRO 116 N 4.35 0.00 -2.53 1.29 0.11 -1.96 -3.44 132.00 129.82 1a78 h PRO 116 Ca -0.49 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.69 1a78 h PRO 116 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1a78 h PRO 116 CO 0.58 0.00 0.40 -1.54 -0.21 0.00 0.00 178.00 177.23 1a78 s SER 117 N -6.41 -0.42 -0.43 -2.05 1.04 -1.26 -4.62 113.70 99.56 1a78 s SER 117 Ca -0.05 -0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.21 1a78 s SER 117 Cb 0.17 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.80 1a78 s SER 117 CO 0.62 -0.76 0.31 -0.63 0.98 0.00 0.00 173.24 173.77 1a78 s ILE 118 N -3.35 5.06 0.24 -1.02 1.01 0.16 -4.86 121.20 118.44 1a78 s ILE 118 Ca 0.04 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.87 1a78 s ILE 118 Cb -0.01 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 1a78 s ILE 118 CO -0.09 -0.41 1.55 -0.65 0.00 0.00 0.00 174.94 175.34 1a78 h PRO 119 N 8.62 0.13 -6.15 2.79 0.11 -1.87 -2.41 132.00 133.22 1a78 h PRO 119 Ca -0.27 -0.10 -0.57 0.00 0.11 0.00 0.00 66.00 65.17 1a78 h PRO 119 Cb 1.11 0.02 -0.23 0.00 0.11 0.00 0.00 31.00 32.01 1a78 h PRO 119 CO 0.77 0.74 -0.83 0.12 -0.21 0.00 0.00 178.00 178.59 1a78 s PHE 120 N -3.60 1.80 -0.12 0.65 5.36 -0.41 -0.60 117.98 121.07 1a78 s PHE 120 Ca -0.03 -0.40 -0.09 0.00 -0.96 0.00 0.00 56.93 55.45 1a78 s PHE 120 Cb 0.12 -1.01 0.03 0.00 -0.34 0.00 0.00 43.02 41.82 1a78 s PHE 120 CO 0.79 0.17 0.30 -1.17 -1.46 0.00 0.00 175.22 173.85 1a78 s LEU 121 N -1.69 0.70 0.04 6.12 1.98 -0.45 -1.77 118.68 123.62 1a78 s LEU 121 Ca 0.07 0.61 -0.11 0.00 -2.89 0.00 0.00 54.13 51.81 1a78 s LEU 121 Cb -0.10 1.00 0.01 0.00 0.66 0.00 0.00 46.19 47.76 1a78 s LEU 121 CO 0.04 -0.12 0.23 -0.94 -1.89 0.00 0.00 176.35 173.67 1a78 s SER 122 N 0.46 -0.02 0.14 3.68 1.04 -0.83 0.67 113.70 118.84 1a78 s SER 122 Ca -0.02 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.19 1a78 s SER 122 Cb -0.04 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1a78 s SER 122 CO -0.02 -0.59 -0.24 -0.76 0.98 0.00 0.00 173.24 172.61 1a78 s LEU 123 N -2.11 2.45 -0.06 2.42 1.43 -0.27 -0.28 118.68 122.26 1a78 s LEU 123 Ca -0.05 -0.72 -0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1a78 s LEU 123 Cb -0.01 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.93 1a78 s LEU 123 CO -0.04 0.17 -0.03 -1.61 0.23 0.00 0.00 176.35 175.07 1a78 s GLU 124 N -2.22 0.80 -1.36 1.70 2.02 -0.68 -2.75 118.70 116.21 1a78 s GLU 124 Ca 0.17 -0.02 -0.04 0.00 0.02 0.00 0.00 54.97 55.09 1a78 s GLU 124 Cb -0.10 -0.97 0.00 0.00 0.10 0.00 0.00 34.13 33.17 1a78 s GLU 124 CO 0.08 -0.20 0.56 0.41 0.02 0.00 0.00 175.26 176.13 1a78 n GLY 125 N 4.62 -0.37 2.92 -1.39 0.00 0.22 -2.06 105.19 109.14 1a78 n GLY 125 Ca -0.16 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1a78 n GLY 125 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a78 s LEU 126 N -5.92 0.51 -0.25 0.99 2.96 -1.25 -4.68 118.68 111.03 1a78 s LEU 126 Ca 0.28 0.34 -0.29 0.00 -0.22 0.00 0.00 54.13 54.24 1a78 s LEU 126 Cb -0.12 0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.97 1a78 s LEU 126 CO 0.34 -0.17 1.19 0.00 -1.32 0.00 0.00 176.35 176.39 1a78 s ALA 127 N 1.43 3.55 0.29 5.97 0.00 0.13 -4.83 121.76 128.29 1a78 s ALA 127 Ca -0.07 0.18 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 1a78 s ALA 127 Cb -0.12 -3.66 -0.10 0.00 0.00 0.00 0.00 23.12 19.24 1a78 s ALA 127 CO -0.06 -1.39 1.37 0.12 0.00 0.00 0.00 175.76 175.80 1a78 s PHE 128 N 3.73 3.03 0.00 0.00 5.36 -1.26 0.41 117.98 129.24 1a78 s PHE 128 Ca 0.51 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 1a78 s PHE 128 Cb -0.17 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 1a78 s PHE 128 CO 0.16 -2.27 0.00 1.63 -1.46 0.00 0.00 175.22 173.27 1a78 n LYS 129 N 1.62 0.00 -3.47 10.12 5.02 -0.31 -4.83 118.16 126.30 1a78 n LYS 129 Ca 0.04 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 1a78 n LYS 129 Cb 0.41 -0.71 -0.02 0.00 -0.02 0.00 0.00 35.03 34.69 1a78 n LYS 129 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1a78 s SER 130 N -4.14 -0.46 -0.03 4.39 1.04 -0.94 -5.02 113.70 108.54 1a78 s SER 130 Ca 0.00 0.03 -0.01 0.00 0.48 0.00 0.00 55.95 56.45 1a78 s SER 130 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1a78 s SER 130 CO 0.00 -0.77 0.05 -0.51 0.98 0.00 0.00 173.24 172.99 1a78 s ILE 131 N -3.31 -0.05 -0.04 -1.02 2.07 -1.26 -1.56 121.20 116.03 1a78 s ILE 131 Ca 0.03 0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.45 1a78 s ILE 131 Cb -0.01 -0.10 0.02 0.00 0.13 0.00 0.00 42.46 42.50 1a78 s ILE 131 CO -0.10 0.07 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.07 1a78 s THR 132 N 0.90 0.48 0.12 4.00 2.01 -0.59 -4.98 115.64 117.59 1a78 s THR 132 Ca -0.07 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 61.86 1a78 s THR 132 Cb -0.10 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1a78 s THR 132 CO -0.03 0.20 0.07 0.42 -0.69 0.00 0.00 174.62 174.60 1a78 s THR 133 N 0.78 4.31 0.00 -0.82 -4.23 -1.26 -1.07 115.64 113.35 1a78 s THR 133 Ca -0.10 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 1a78 s THR 133 Cb -0.13 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1a78 s THR 133 CO 0.00 0.01 0.00 1.21 -0.54 0.00 0.00 174.62 175.30